# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-07T18:32:10+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I b a 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100220","11.0478","0.0012","28.024","0.003","7.2693","0.0007","90","","90","","90","","2250.6","","","","193","","","","","","","","","5","I b a 2","I 2 -2c","45","","(4RS,5SR,1'RS)-4-(1-Chloro-1-phenylmethyl)-5-methyl-1,3-oxazolidin-2-one","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C88 H96 Cl8 N8 O16 -","8","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.22","","","3.22","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00",""
"1100406","15.107","0.002","18.628","0.003","9.889","0.001","90","","90","","90","","2782.9","","","","","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C6 H18 Cl I N P Si -","- C6 H18 Cl I N P Si -","- C48 H144 Cl8 I8 N8 P8 Si8 -","8","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","177943","2020-10-21","18:00:00",""
"1502697","20.712","0.003","24.812","0.008","7.977","0.006","90","","90","","90","","4099","3","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C24 H18 N6 S -","- C24 H18 N6 S -","- C192 H144 N48 S8 -","8","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.107","0.0929","","","0.1642","0.1727","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504391","10.608","0.002","32.541","0.007","7.6837","0.0015","90","","90","","90","","2652.4","0.9","293","2","293","2","","","","","","","","2","I b a 2","I 2 -2c","45","","","","- C36 H30 -","- C36 H30 -","- C144 H120 -","4","0.5","","Xie, Zengqi; Xie, Weijie; Li, Feng; Liu, Linlin; Wang, Huan; Ma, Yuguang","Controlling Supramolecular Microstructure to Realize Highly Efficient Nondoped Deep Blue Organic Light-Emitting Devices: The Role of Diphenyl Substituents in Distyrylbenzene Derivatives","Journal of Physical Chemistry C","2008","112","24","9066","","10.1021/jp801033j","","","0.71073","MoKα","","0.1482","0.0574","","","0.1009","0.1263","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511541","6.294","","8.406","","12.733","","90","","90","","90","","673.669","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Cu Tb (B5 O10)","","- B5 Cu O10 Tb -","- B5 Cu O10 Tb -","- B20 Cu4 O40 Tb4 -","4","0.5","","Schaefer, J.; Bluhm, K.","Cu Tb (B5 O10): Das erste ""Metaborat"" mit einem 1-infinite (B5 O10)5- - Anion","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","567","570","10.1002/zaac.19956210413","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515126","17.443","0.004","21.703","0.005","9.844","0.002","90","","90","","90","","3726.6","1.4","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C152 H168 N24 O32 -","8","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.247","0.1313","","","0.2684","0.307","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515946","12.7723","0.0003","16.8766","0.0003","14.4195","0.0003","90","","90","","90","","3108.17","0.11","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C46 H27 N O4 -","- C46 H27 N O4 -","- C184 H108 N4 O16 -","4","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu","Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule","Faraday Discussions","2009","143","","205","","10.1039/b900684b","","","0.71073","MoKα","","0.055","0.0453","","","0.1016","0.1047","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516064","10.9646","0.0003","34.3413","0.0011","6.972","0.0002","90","","90","","90","","2625.23","0.13","273","2","273","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","An efficient synthesis of bridged heterocycles from an Ir(I) bis-amination/ring-closing metathesis sequence.","Organic letters","2012","14","18","4802","4805","10.1021/ol302108m","","","1.54178","CuKα","","0.0356","0.0349","","","0.0978","0.0991","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519345","9.2463","0.0018","33.461","0.007","7.2285","0.0014","90","","90","","90","","2236.4","0.8","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Donnio, B; Nguuyen, H. L.; Huck, D. M.; Hursthouse, Michael B.; Coles, Simon J.; Bruce, D. W.","4-Methoxy-2aE-stilbazole","Crystal Structure Report Archive","2001","","","134","","","","","0.71073","MoKα","","0.0722","0.0576","","","0.1372","0.1471","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519527","24.119","0.0006","21.7004","0.0003","21.815","0.0004","90","","90","","90","","11417.8","0.4","120","2","120","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C31 H60 F12 Fe2 N18 O16 S4 -","- C31 H54.5 F12 Fe2 N18 O16 S4 -","- C248 H436 F96 Fe16 N144 O128 S32 -","8","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C31H60F12Fe2N18O16S4","Crystal Structure Report Archive","2003","","","987","","","","","0.71073","MoKα","","0.0886","0.0606","","","0.1517","0.1662","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520312","12.1721","0.0008","49.556","0.003","8.341","0.0006","90","","90","","90","","5031.3","0.6","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","JR2102A3","","","- C10 H16 B F2 N O4 -","- C10 H16 B F2 N O4 -","- C160 H256 B16 F32 N16 O64 -","16","2","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0721","0.042","","","0.0643","0.0721","","","","","","1.029","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520553","21.689","0.004","29.869","0.005","10.7143","0.0019","90","","90","","90","","6941","2","110","2","110","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C35 H19 F4 N6 O2 P -","- C35 H19 F4 N6 O2 P -","- C280 H152 F32 N48 O16 P8 -","8","1","","Saltsman, Irena; Goldberg, Israel; Gross, Zeev","Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.","Organic letters","2015","17","13","3214","3217","10.1021/acs.orglett.5b01297","","","0.71073","MoKα","","0.0984","0.063","","","0.1414","0.1542","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525827","14.298","","9.908","","8.43","","90","","90","","90","","1194.23","","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","Zn V3 O8","","- O8 V3 Zn -","- O8 V3 Zn -","- O64 V24 Zn8 -","8","1","","Lloyd, D.J.; Galy, J.","Alpha zinc vanadium(IV) divanadate(V), alpha-Zn V3 O8","Crystal Structure Communications","1973","2","","209","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528891","13.9859","","21.187","","4.54","","90","","90","","90","","1345.29","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Sn (C H3 C O O)2","","- C4 H6 O4 Sn -","- C4 O4 Sn -","- C32 O32 Sn8 -","8","1","","Stafeeva, V.S.; Mitiaev, A.S.; Abakumov, A.M.; Antipov, E.V.; Makarevich, A.M.; Tsirlin, A.A.","Crystal structure and chemical bonding in tin(II) acetate","Polyhedron","2007","26","","5365","5369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531013","11.103","","18.924","","5.572","","90","","90","","90","","1170.75","","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","Sr4 (Fe6 O13)","","- Fe6 O13 Sr4 -","- Fe6 O13 Sr4 -","- Fe24 O52 Sr16 -","4","0.5","","Yoshiasa, A.; Ueno, K.; Horiuchi, H.; Kanamaru, F.","Structure of Sr4 Fe6 O13, a new perovskite-derivative in the Sr-Fe-O system","Materials Research Bulletin","1986","21","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","156268","2020-10-21","18:00:00",""
"1543406","15.4841","0.0017","20.8131","0.0019","7.9546","0.0007","90","","90","","90","","2563.5","0.4","90","0.5","90","0.5","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C17 H17 N -","- C17 H17 N -","- C136 H136 N8 -","8","1","","Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.","Organic letters","2016","18","12","3002","3005","10.1021/acs.orglett.6b01376","","","1.54184","CuKα","","0.034","0.0281","","","0.071","0.0722","","","","","","1.041","","","","has coordinates","184969","2020-10-21","18:00:00",""
"1543636","21.8211","0.0007","19.2793","0.0006","19.7602","0.0008","90","","90","","90","","8313","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C54 H30 F6 -","- C54 H30 F6 -","- C432 H240 F48 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0557","0.0326","","","0.067","0.0743","","","","","","0.983","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1544500","11.807","0.009","5.958","0.004","5.858","0.004","90","","90","","90","","412.1","0.5","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","MnGa2Sb4","","","- Ga2 Mn Sb4 -","- Ga2 Mn0.9365 Sb2 -","- Ga8 Mn3.746 Sb8 -","4","0.5","","Sakakibara, W.; Hayashi, Y.; Takizawa, H.","MnGa2Sb2, a new ferromagnetic compound synthesized under high pressure","Journal of the Ceramic Society of Japan","2009","117","","72","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","187864","2020-10-21","18:00:00",""
"1544664","11.46","0.006","20.95","0.03","5.944","0.002","90","","90","","90","","1427","2","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","Ba4In6O13","","Ba4In6O13","- Ba4 In6 O13 -","- Ba4 In6 O13 -","- Ba16 In24 O52 -","4","0.5","","Yoshiasa, A.; Takeno, S.; Iishi, K.","Ba4In6O13: a compound with distorted square pyramidal InO5 coordination polyhedra","Mineralogical Journal","1992","16","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","188680","2020-10-21","18:00:00",""
"1547229","17.5173","0.0018","11.7477","0.0012","17.1922","0.0018","90","","90","","90","","3537.9","0.6","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C23 H18 F N O -","- C23 H18 F N O -","- C184 H144 F8 N8 O8 -","8","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0541","0.0395","","","0.0983","0.1079","","","","","","1.002","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547645","15.322","0.003","17.902","0.003","9.8089","0.0017","90","","90","","90","","2690.5","0.8","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C6 H7 B O2 -","- C6 H7 B O2 -","- C96 H112 B16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0507","0.034","","","0.0759","0.0844","","","","","","1.027","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1548450","13.146","0.0013","29.598","0.003","8.1392","0.0006","90","","90","","90","","3166.9","0.5","100","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-1-(2-amino-4.5-dimethoxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","","Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel","Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones","Monatshefte Fur Chemie","2016","147","","1747","1757","10.1007/s00706-016-1812-9","","","0.71073","MoKα","","0.0602","0.0403","","","0.0867","0.0943","","","","","","1.033","","","","has coordinates","204219","2020-10-21","18:00:00",""
"1550776","7.2897","0.0003","23.0144","0.001","25.5674","0.001","90","","90","","90","","4289.4","0.3","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","4437-104","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C200 H144 Cl8 N8 O24 -","8","1","","Ding, Chunyong; Chen, Hongjin; Liang, Bing; Jiao, Mingkun; Liang, Guang; Zhang, Ao","Biomimetic Synthesis of Natural Product Salviadione and Its Hybrids: Discovery of Tissue-Specific Anti-Inflammatory Agents for Acute Lung Injury","Chemical Science","2019","","","","","10.1039/C9SC00086K","","","1.54178","CuKα","","0.0371","0.0366","","","0.0889","0.0892","","","","","","1.107","","","","has coordinates","214278","2020-10-21","18:00:00",""
"1550811","14.753","0.003","24.611","0.004","8.0508","0.0013","90","","90","","90","","2923.1","0.9","294","2","294.54","","","","","","","","","3","I b a 2","I 2 -2c","45","scnphcz","2-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.099","0.0612","","","0.1327","0.1511","","","","","","1.065","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1552318","10.238","0.002","19.104","0.004","9.463","0.002","90","","90","","90","","1850.8","0.7","298","","298","","","","","","","","","4","I b a 2","I 2 -2c","45","","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","","- C6 H10 Cd O6 -","- C6 H10 Cd O6 -","- C48 H80 Cd8 O48 -","8","1","WM4107","Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","IUCrData","2019","4","9","x191255","","10.1107/S2414314619012550","","","0.71073","MoKα","","0.029","0.0253","","","0.0625","0.0646","","","","","","1.054","","","","has coordinates,has Fobs","218163","2020-10-21","18:00:00",""
"1554483","15.569","0.002","29.973","0.004","7.0564","0.001","90","","90","","90","","3292.9","0.8","293","2","293","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C16 H9 Cl F3 N O3 S -","- C16 H9 Cl F3 N O3 S -","- C128 H72 Cl8 F24 N8 O24 S8 -","8","1","","Yi, Ruxia; Li, Xincheng; Wan, Boshun","Ring-opening and cyclization of aziridines with aryl azides: metal-free synthesis of 6-(triflyloxy)quinolines","Organic Chemistry Frontiers","2018","5","23","3488","","10.1039/C8QO00984H","","","0.71073","MoKα","","0.0547","0.0494","","","0.118","0.1234","","","","","","1.115","","","","has coordinates","237268","2020-10-21","18:00:00",""
"1559638","18.50216","0.00012","21.27952","0.00014","10.92519","0.00007","90","","90","","90","","4301.43","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C208 H200 N24 O16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0289","0.028","","","0.0713","0.072","","","","","","1.048","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1562679","29.5021","0.0013","9.0794","0.0003","9.482","0.0004","90","","90","","90","","2539.86","0.18","123","2","123","2","","","","","","","","6","I b a 2","I 2 -2c","45","","2-(3,5-dichloro-2-iodo-6-(methylthio)phenyl)-2H-1,2,3-triazole","","- C9 H6 Cl2 I N3 S -","- C9 H6 Cl2 I N3 S -","- C72 H48 Cl16 I8 N24 S8 -","8","1","","Hess, Andreas; Prohaska, Jan Philip; Doerrich, Sabrina Bettina; Trauner, Florian; Lutter, Ferdinand Hermann; Lemaire, Sébastien; Wagschal, Simon; Karaghiosoff, Konstantin; Knochel, Paul","Directed Regioselective ortho,ortho’-Magnesiations of Aromatics and Heterocycles using sBu2Mg in Toluene","Chemical Science","2021","","","","","10.1039/D1SC01777B","","","0.71073","MoKα","","0.0369","0.0317","","","0.0722","0.0757","","","","","","1.059","","","","has coordinates","265321","2021-05-19","01:00:20",""
"1563088","12.5257","0.0002","14.2085","0.0001","10.5397","0.0001","90","","90","","90","","1875.77","0.04","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H16 Eu2 O20 -","- C12 H16 Eu2 O20 -","- C48 H64 Eu8 O80 -","4","0.5","","Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long","Two types of rare earth‒organic frameworks constructed by racemic tartaric acid","Journal of Solid State Chemistry","2012","185","","253","263","10.1016/j.jssc.2011.11.012","","","0.71073","MoKα","","0.0164","0.0161","","","0.0454","0.0457","","","","","","1.001","","","","has coordinates","265678","2021-06-02","09:11:35",""
"1563089","12.4764","0.0001","14.1541","0.0002","10.4935","0.0001","90","","90","","90","","1853.07","0.03","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H16 Dy2 O20 -","- C12 H16 Dy2 O20 -","- C48 H64 Dy8 O80 -","4","0.5","","Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long","Two types of rare earth‒organic frameworks constructed by racemic tartaric acid","Journal of Solid State Chemistry","2012","185","","253","263","10.1016/j.jssc.2011.11.012","","","0.71073","MoKα","","0.0183","0.0178","","","0.0478","0.0483","","","","","","1.056","","","","has coordinates","265678","2021-06-02","09:11:36",""
"1563659","30.682","0.001","10.929","0.001","16.594","0.002","90","0.005","90","0.005","90","0.005","5564.4","0.9","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C200 H120 N24 O92 Zn16 -","- C200 H120 N24 O92 Zn16 -","- C200 H120 N24 O92 Zn16 -","1","0.125","","Xu, Yan-Hong; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi","Auxiliary aromatic-acid effect on the structures of a series of ZnII coordination polymers: Syntheses, crystal structures, and photoluminescence properties","Journal of Solid State Chemistry","2010","183","4","849","857","10.1016/j.jssc.2010.01.027","","","0.71069","MoKα","","0.0457","0.0406","","","0.1217","0.1292","","","","","","1.087","","","","has coordinates","266636","2021-06-23","09:06:40",""
"1565812","27.179","0.016","29.115","0.014","19.281","0.008","90","","90","","90","","15257","13","296","2","296","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C32 H37 Mo12 N12 O43 P Zn4 -","- C32 H28 Mo12 N12 O43 P Zn4 -","- C256 H224 Mo96 N96 O344 P8 Zn32 -","8","1","","Han, Ye-Min; Cheng, Wei-Wei; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Xu, Yan","Two isolated Zn-ε-Keggin decorated by pyridine-imidazole with excellent electrocatalytic and third-order NLO properties","Inorganica Chimica Acta","2019","498","","119169","","10.1016/j.ica.2019.119169","","","0.71073","MoKα","","0.0805","0.0629","","","0.1562","0.1733","","","","","","1.077","","","","has coordinates","271537","2021-12-20","10:49:08",""
"1565818","26.2135","0.0015","48.489","0.003","7.7284","0.0005","90","","90","","90","","9823.3","1","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H24 B F4 N -","- C16 H24 B F4 N -","- C384 H576 B24 F96 N24 -","24","3","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0622","0.058","","","0.1544","0.158","","","","","","1.036","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1567279","48.93","0.009","8.2077","0.0017","10.3345","0.0018","90","","90","","90","","4150.4","1.4","123","2","123","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C42 H62 O12 -","- C42 H62 O12 -","- C168 H248 O48 -","4","0.5","","Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide","Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones","Chemical Science","2022","","","","","10.1039/D2SC03083G","","x-ray","1.54184","CuKα","","0.2158","0.1571","","","0.3731","0.4353","","","","","","1.619","","","","has coordinates","276798","2022-07-22","22:42:02",""
"2000299","13.058","0.005","16.153","0.009","7.585","0.004","90","","90","","90","","1599.9","1.4","","","","","","","","","","","","4","I b a 2","","","","","","- C10 H12 Ni S8 -","- C10 H12 Ni S8 -","- C40 H48 Ni4 S32 -","4","0.5","ST0464","Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M.","Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K","Acta Crystallographica Section C","1991","47","6","1164","1167","10.1107/S0108270190013117","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000300","13.027","0.003","16.042","0.006","7.486","0.002","90","","90","","90","","1564.4","0.8","","","","","","","","","","","","4","I b a 2","","","","","","- C10 H12 Ni S8 -","- C10 H12 Ni S8 -","- C40 H48 Ni4 S32 -","4","0.5","ST0464","Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M.","Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K","Acta Crystallographica Section C","1991","47","6","1164","1167","10.1107/S0108270190013117","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001651","15.696","0.002","21.617","0.002","8.6253","0.0006","90","","90","","90","","2926.6","0.5","295","","","","","","","","","","","3","I b a 2","I 2 -2c","","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","1","OH1012","Mori, K.; Masuda, Y.; Kashino, S.","(+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl","Acta Crystallographica Section C","1993","49","6","1224","1227","10.1107/S0108270193000083","","","1.54178","CuKα","","","0.034","","","0.039","","","","","1.214","1.214","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003623","25.5347","0.0033","17.3004","0.0014","7.6486","0.0003","90","","90","","90","","3378.8","0.5","295","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C184 H160 O16 -","8","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.035","","","0.039","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008252","7.579","0.002","17.55","0.002","11.111","0.005","90","","90","","90","","1477.9","0.8","296","","296","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C32 H80 N24 Ni4 S8 -","4","0.5","FR1148","Moore, Stephanie L.; Philip J. Squattrito","Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","3","332","334","10.1107/S0108270198013419","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","2.12","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008837","19.1266","0.0019","8.2451","0.0008","10.0462","0.001","90","","90","","90","","1584.3","0.3","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","d,l-2,4-bis(phenylthio)-3-pentanone","","- C17 H18 O S2 -","- C17 H18 O S2 -","- C68 H72 O4 S8 -","4","0.5","QB0086","Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine","<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K","Acta Crystallographica Section C","1999","55","8","IUC9900088","","10.1107/S010827019909900X","","","0.71073","MoKα","","0.097","0.058","","","","0.136","","","","","","0.948","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2013758","9.835","0.003","19.229","0.002","16.75","0.006","90","","90","","90","","3167.7","1.5","208","2","","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C34 H26 Cd F4 N8 -","- C34 H26 Cd F4 N8 -","- C136 H104 Cd4 F16 N32 -","4","0.5","FA1048","Hörner, Manfredo; Carratu, Vanessa S.; Bordinhao, Jairo; Silva, Angela; Niquet, Elke","<i>cis</i>-Bis[1,3-bis(2-fluorophenyl)triazenido-κ^2^<i>N</i>^1^,<i>N</i>^3^]bis(pyridine-κ<i>N</i>)cadmium(II)","Acta Crystallographica Section C","2004","60","3","m140","m142","10.1107/S0108270104002380","","","0.71073","MoKα","","","0.0214","","","","0.053","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019105","10.0424","0.0002","42.9871","0.0011","7.493","0.0002","90","","90","","90","","3234.68","0.14","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","Bis(2-aminoanilinium) fumarate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","1","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0626","0.0493","","","0.1281","0.1403","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019593","14.352","0.002","20.086","0.003","6.4851","0.0009","90","","90","","90","","1869.5","0.5","200","2","200","2","","","","","","","","5","I b a 2","I 2 -2c","45","4-nitro-o-phenylene diamine hydrobromide monohydrate","2-Amino-4-nitroanilinium bromide monohydrate","","- C6 H10 Br N3 O3 -","- C6 H10 Br N3 O3 -","- C48 H80 Br8 N24 O24 -","8","1","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0416","0.0303","","","0.0671","0.0709","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2022238","17.6719","0.0008","25.7296","0.0012","6.8887","0.0003","90","","90","","90","","3132.2","0.2","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","7-Nitro-2-(piperidine-1-carbonyl)-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one 1-oxide","","- C14 H12 F3 N3 O5 S -","- C14 H12 F3 N3 O5 S -","- C112 H96 F24 N24 O40 S8 -","8","1","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0983","0.0591","","","0.1292","0.1703","","","","","","1.083","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022912","19.4014","0.0015","9.7612","0.0006","19.1922","0.0011","90","","90","","90","","3634.6","0.4","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis(piperidinium) tetrachloridoaurate(III) chloride","","- C10 H24 Au Cl5 N2 -","- C10 H24 Au Cl5 N2 -","- C80 H192 Au8 Cl40 N16 -","8","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0864","0.0414","","","0.0572","0.0674","","","","","","1.021","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:01",""
"2101415","8.469","0.001","15.783","0.002","9.003","0.001","90","","90","","90","","1203.4","0.2","","","","","","","","","","","","4","I b a 2","I 2 -2c","","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","0.5","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102198","57.368","0.001","22.783","0.001","5.6945","0.0005","90","","90","","90","","7442.8","0.7","293","","293","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C35 H66 O6 -","- C35 H66 O6 -","- C280 H528 O48 -","8","1","NA0109","Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk","Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols","Acta Crystallographica Section B","2000","56","6","1103","1111","10.1107/S0108768100009927","","","0.5061","synchrotron","","0.312","0.175","","0.323","","0.165","","","1.547","","","1.163","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102199","76.21","0.04","22.63","0.01","5.673","0.002","90","","90","","90","","9784","8","295","","295","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C47 H90 O6 -","- C47 H90 O6 -","- C376 H720 O48 -","8","1","NA0109","Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk","Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols","Acta Crystallographica Section B","2000","56","6","1103","1111","10.1107/S0108768100009927","powder diffraction","","0.650515","","","","","","","","","7.4","5.7","2.92","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2202643","20.144","0.004","9.774","0.002","11.586","0.001","90","","90","","90","","2281.1","0.7","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","N,N-(2-bezothiazole)(2-pyridylmethyl)amine","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C104 H88 N24 S8 -","8","1","FL6055","Chen,Zhen-Feng; Tang,Yun-Zhi; Shi,Shao-Ming; Wang, Xian-Wen; Liang, Hong; Yu, Kai-Bei","<i>N,N</i>-(2-benzothiazole)(2-pyridylmethyl)amine","Acta Crystallographica Section E","2003","59","10","o1461","o1463","10.1107/S1600536803019202","","","0.71073","MoKα","","0.039","0.0306","","","0.0675","0.0697","","","","","","0.964","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202985","15.4858","0.0006","9.7359","0.0004","14.7769","0.0008","90","","90","","90","","2227.89","0.17","223","2","223","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C24 H16 Co N11 O3 -","- C24 H16 Co N11 O3 -","- C96 H64 Co4 N44 O12 -","4","0.5","WW6100","Zhao, Qihua; Wang, Xiaofeng; Fang, Ruibin; Tiekink, Edward R. T.","Diazidobis(1,10-phenathroline)cobalt(III) nitrate","Acta Crystallographica Section E","2003","59","8","m690","m691","10.1107/S1600536803016489","","","0.71069","MoKα","","0.038","0.033","","","0.08","0.082","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206547","32.131","0.004","9.7172","0.0013","18.918","0.002","90","","90","","90","","5906.6","1.2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis[2-(benzoimidazol-2-yl)phenolato-κ^2^N,O]zinc(II)‒ bis[5-amino-2-(benzoimidazol-2-yl)phenolato-κ^2^N,O]zinc(II)‒ethanol‒water (0.56/0.44/2/0.5)","","- C30 H31.88 N4.88 O4.5 Zn -","- C30 H31.88 N4.88 O4.5 Zn -","- C240 H255.04 N39.04 O36 Zn8 -","8","1","SJ6110","Tong, Yi-Ping","Bis[2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II)‒bis[5-amino-2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II)‒ethanol‒water (0.56/0.44/2/0.5)","Acta Crystallographica Section E","2005","61","8","m1595","m1597","10.1107/S1600536805022233","","","0.71073","Mo-Kα","","0.0944","0.0562","","","0.1162","0.1404","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206627","32.459","0.003","9.408","0.001","19.053","0.002","90","","90","","90","","5818.3","1","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","[2-(Benzimidazol-2-yl)phenolato]zinc(II)‒[2-(benzimidazol-2- yl)phenolato][2-(benzimidazol-2-yl)-4-bromophenolato]zinc(II)‒ethanol‒water (0.67/0.33/2/0.5)","","- C30 H30.67 Br0.33 N5 O4.5 Zn -","- C30 H30.67 Br0.33 N4 O4.5 Zn -","- C240 H245.36 Br2.64 N32 O36 Zn8 -","8","1","BR6209","Tong, Yi-Ping","Bis[2-(benzimidazol-2-yl)phenolato]zinc(II)‒[2-(benzimidazol-2-yl)phenolato][2-(benzimidazol-2-yl)-4-bromophenolato]zinc(II)‒ethanol‒water (0.67/0.33/2/0.5)","Acta Crystallographica Section E","2005","61","9","m1771","m1773","10.1107/S1600536805025328","","","0.71073","MoKα","","0.1355","0.0645","","","0.1657","0.2086","","","","","","0.951","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2207412","15.097","0.008","10.989","0.006","14.291","0.011","90","","90","","90","","2371","3","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","Diazidobis(1,10-phenanthroline)cobalt(II) perchlorate","","- C24 H16 Cl Co N10 O4 -","- C24 H16 Cl Co N10 O4 -","- C96 H64 Cl4 Co4 N40 O16 -","4","0.5","AC6190","Xue-Yan Song; Xu-Da Wang; Yun-He Xu; Li-Cun Li","Diazidobis(1,10-phenanthroline)cobalt(III) perchlorate","Acta Crystallographica Section E","2005","61","12","m2649","m2650","10.1107/S1600536805033544","","","0.71073","MoKα","","0.0627","0.0468","","","0.1115","0.1188","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2213908","11.634","0.002","12.983","0.002","14.908","0.003","90","","90","","90","","2251.8","0.7","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","{Dimethyl [2,2'-(ethane-1,2-diyldioxy)bis(benzylidenehydrazono)]bis(dithioformato)- κ^4^S,N,N',S'}copper(II)","","- C20 H20 Cu N4 O2 S4 -","- C20 H20 Cu N4 O2 S4 -","- C80 H80 Cu4 N16 O8 S16 -","4","0.5","NG2251","Mei, Guang-Quan; Huang, Ke-Long","{Dimethyl [2,2'-(ethane-1,2-diyldioxy)bis(benzylidenehydrazono)]bis(dithioformato)-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>'}copper(II)","Acta Crystallographica Section E","2007","63","6","m1653","m1653","10.1107/S1600536807022295","","","0.71073","MoKα","","0.0554","0.042","","","0.0587","0.061","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215287","12.3885","0.0013","13.1003","0.0014","17.4966","0.0018","90","","90","","90","","2839.6","0.5","120","2","120","2","","","","","","","","3","I b a 2","I 2 -2c","45","","undecastrontium indium nonaantimonide","","- In Sb9 Sr11 -","- In Sb9 Sr11 -","- In4 Sb36 Sr44 -","4","0.5","WM2135","Hullmann, Jonathan; Xia, Shengqing; Bobev, Svilen","Sr~11~InSb~9~ grown from molten In","Acta Crystallographica Section E","2007","63","9","i178","i178","10.1107/S1600536807040615","","","0.71073","MoKα","","0.0249","0.0223","","0.0353","","0.0341","","","","","","0.896","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218906","9.862","0.002","28.095","0.005","8.664","0.003","90","","90","","90","","2400.6","1.1","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","<i>N</i>-(prop-2-ynyl)tricyclo[3.3.1.1^3,7^]decane-1-carboxamide","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","1","BT2731","Frey, Wolfgang; Schetter, Stefanie; Rominger, Frank; Hashmi, A. Stephen K.","A new polymorph of <i>N</i>-(prop-2-ynyl)tricyclo[3.3.1.1^3,7^]decane-1-carboxamide","Acta Crystallographica Section E","2008","64","8","o1495","","10.1107/S1600536808021466","","","0.71073","MoKα","","0.0845","0.0611","","","0.1205","0.1303","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220670","11.1542","0.001","21.958","0.002","14.1751","0.0015","90","","90","","90","","3471.8","0.6","298","2","298","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5-)- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}erbium(III)","","- C36 H45 Er N4 O8 -","- C36 H45 Er N4 O8 -","- C144 H180 Er4 N16 O32 -","4","0.5","AT2680","Xia, Hai-Tao; Rong, De-Fu; Zhang, Ying-Ying; Yang, Shu-Ping; Wang, Da-Qi","Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}erbium(III)","Acta Crystallographica Section E","2009","65","2","m198","m199","10.1107/S1600536809001421","","","0.71073","MoKα","","0.0652","0.0441","","","0.1331","0.1615","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220671","21.977","0.003","11.1616","0.0012","14.1699","0.0018","90","","90","","90","","3475.9","0.7","298","2","298","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5-)- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}praeseodymium(III)","","- C36 H45 N4 O8 Pr -","- C36 H45 N4 O8 Pr -","- C144 H180 N16 O32 Pr4 -","4","0.5","AT2681","Xia, Hai-Tao; Liu, Yu-Fen; Yang, Shu-Ping; Wang, Da-Qi","Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}praeseodymium(III)","Acta Crystallographica Section E","2009","65","2","m200","","10.1107/S1600536809001500","","","0.71073","MoKα","","0.0446","0.0278","","","0.0612","0.0698","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220672","21.885","0.002","11.1407","0.001","14.0928","0.0014","90","","90","","90","","3436","0.6","298","2","298","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5-)- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}terbium(III)","","- C36 H45 N4 O8 Tb -","- C36 H45 N4 O8 Tb -","- C144 H180 N16 O32 Tb4 -","4","0.5","AT2682","Xia, Hai-Tao; Liu, Yu-Fen; Yang, Shu-Ping; Wang, Da-Qi","Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}terbium(III)","Acta Crystallographica Section E","2009","65","2","m201","","10.1107/S1600536809001494","","","0.71073","MoKα","","0.0763","0.0439","","","0.1001","0.1255","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220678","10.5512","0.0004","19.3389","0.0009","9.7435","0.0004","90","","90","","90","","1988.15","0.14","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","<i>catena</i>-Poly[[diaquacopper(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato]","","- C8 H12 Cu O7 -","- C8 H12 Cu O7 -","- C64 H96 Cu8 O56 -","8","1","AT2697","Wang, Yun-Yun; Hu, Rui-Ding; Wang, Yan-Jun","<i>catena</i>-Poly[[diaquacopper(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]","Acta Crystallographica Section E","2009","65","2","m169","","10.1107/S1600536809000270","","","0.71073","MoKα","","0.0259","0.0223","","","0.0578","0.0594","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220966","10.289","0.0007","31.5218","0.0018","7.5909","0.0005","90","","90","","90","","2461.9","0.3","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","4-(4-Methoxyphenyl)piperazin-1-ium chloride","","- C11 H17 Cl N2 O -","- C11 H17 Cl N2 O -","- C88 H136 Cl8 N16 O8 -","8","1","AT2720","Zia-ur-Rehman; Tahir, M. Nawaz; Danish, Muhammad; Muhammad, Niaz; Ali, Saqib","4-(4-Methoxyphenyl)piperazin-1-ium chloride","Acta Crystallographica Section E","2009","65","3","o503","","10.1107/S1600536809004280","","","0.71073","MoKα","","0.0654","0.0443","","","0.1146","0.1385","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221445","13.528","0.004","29.616","0.01","7.074","0.002","90","","90","","90","","2834.2","1.5","298","2","298","2","","","","","","","","5","I b a 2","I 2 -2c","45","","7-Chloro-4-phenethyl-2<i>H</i>-1,4-benzoxazin-3(4<i>H</i>)-one","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C128 H112 Cl8 N8 O16 -","8","1","NC2136","Chen, Ming-Jun; Yang, Hao; Dong, Wen-Liang; Zuo, Hua; Zhou, Jia-Zhou","7-Chloro-4-phenethyl-2<i>H</i>-1,4-benzoxazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2009","65","4","o712","","10.1107/S1600536809007739","","","0.71073","MoKα","","0.0937","0.049","","","0.0974","0.1171","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222148","15.336","0.002","12.658","0.001","14.755","0.002","90","","90","","90","","2864.3","0.6","293","2","293","2","","","","","","","","3","I b a 2","I 2 -2c","45","","2,2',4,4',6,6'-Hexamethylbiphenyl-3,3',5,5'-tetrayltetramethylene tetraacetate","","- C30 H38 O8 -","- C30 H38 O8 -","- C120 H152 O32 -","4","0.5","SU2107","Hu, Tuoping","2,2',4,4',6,6'-Hexamethylbiphenyl-3,3',5,5'-tetrayltetramethylene tetraacetate","Acta Crystallographica Section E","2009","65","6","o1355","","10.1107/S1600536809018261","","","0.71073","MoKα","","0.093","0.057","","","0.167","0.199","","","","","","1.015","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2222725","10.679","0.002","22.431","0.005","7.198","0.0014","90","","90","","90","","1724.2","0.6","294","2","294","2","","","","","","","","5","I b a 2","I 2 -2c","45","","5-Amino-2-methylbenzenesulfonamide","","- C7 H10 N2 O2 S -","- C7 H10 N2 O2 S -","- C56 H80 N16 O16 S8 -","8","1","HK2722","Ma, Xiang-Jun; Fang, Zheng; Ren, Li-Li; Wei, Ping","5-Amino-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2009","65","8","o1815","","10.1107/S1600536809026142","","","0.71073","MoKα","","0.0424","0.0402","","","0.1164","0.1199","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226328","10.3513","0.0002","18.9903","0.0004","10.4899","0.0005","90","","90","","90","","2062.04","0.11","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","<i>catena</i>-Poly[[diaquamanganese(II)]-μ- 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]","","- C8 H12 Mn O7 -","- C8 H12 Mn O7 -","- C64 H96 Mn8 O56 -","8","1","WM2346","Wang, Na; Feng, Jie; Wang, Dong-Hang; Lin, Qiu-Yue","<i>catena</i>-Poly[[diaquamanganese(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]","Acta Crystallographica Section E","2010","66","6","m717","","10.1107/S1600536810019021","","","0.71073","MoKα","","","0.0236","","","0.0557","0.0567","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228800","19.618","0.004","9.576","0.0019","17.517","0.004","90","","90","","90","","3290.8","1.2","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","Poly[[bis[μ-1,2-bis(4-pyridyl)ethene]bis(trichloroacetato)cadmium(II)] monohydrate]","","- C28 H22 Cd Cl6 N4 O5 -","- C28 H22 Cd Cl6 N4 O5 -","- C112 H88 Cd4 Cl24 N16 O20 -","4","0.5","LH5170","Kim, Jin Hoon; Kim, Cheal; Kim, Youngmee","Poly[[bis[μ-1,2-bis(4-pyridyl)ethene]bis(trichloroacetato)cadmium(II)] monohydrate]","Acta Crystallographica Section E","2011","67","1","m3","m4","10.1107/S1600536810049457","","","0.71073","MoKα","","0.0365","0.0318","","","0.0834","0.0854","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230363","15.2859","0.0006","17.6577","0.0009","11.4818","0.0009","90","","90","","90","","3099.1","0.3","170","2","170","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate","","- C32 H30 Cl Cu N9 -","- C32 H30 Cl Cu N9 -","- C128 H120 Cl4 Cu4 N36 -","4","0.5","IM2272","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate","Acta Crystallographica Section E","2011","67","6","m695","","10.1107/S1600536811016187","","","0.71073","MoKα","","0.0427","0.0343","","","0.088","0.0927","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233664","10.3794","0.001","18.983","0.003","10.5021","0.0012","90","","90","","90","","2069.3","0.5","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]","","- C8 H12 Co O7 -","- C8 H12 Co O7 -","- C64 H96 Co8 O56 -","8","1","WM2580","Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du","<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","2","m146","","10.1107/S1600536812000554","","","0.71073","MoKα","","","0.029","","","0.0873","0.0875","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238454","15.9185","0.0009","19.2366","0.0011","11.5535","0.0007","90","","90","","90","","3537.9","0.4","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","Aquabis(3-chlorobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)copper(II)","","- C34 H38 Cl2 Cu N4 O7 -","- C34 H38 Cl2 Cu N4 O7 -","- C136 H152 Cl8 Cu4 N16 O28 -","4","0.5","XU5719","Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Aquabis(3-chlorobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2013","69","8","m458","m459","10.1107/S1600536813018989","","","0.71073","MoKα","","0.0403","0.0316","","","0.0823","0.0862","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238905","10.8504","0.0003","22.2977","0.0008","20.3988","0.0008","90","","90","","90","","4935.3","0.3","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)","","- C23 H30 N2 O4 Sn -","- C23 H30 N2 O4 Sn -","- C184 H240 N16 O32 Sn8 -","8","1","NG5348","Qiao, Yanling; Wang, Fei","Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)","Acta Crystallographica Section E","2013","69","12","m675","","10.1107/S1600536813031401","","","0.71073","MoKα","","0.0624","0.0387","","","0.0662","0.0755","","","","","","1.011","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239285","10.1689","0.0008","43.141","0.003","7.2658","0.0005","90","","90","","90","","3187.5","0.4","293","2","293","2","","","","","","","","3","I b a 2","I 2 -2c","45","","<i>c</i>-3,<i>t</i>-5-Dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine","","- C19 H23 N -","- C19 H23 N -","- C152 H184 N8 -","8","1","","Sathya, S.; Prathebha, K.; Usha, G.; Abdul Basheer, S.; Ponnuswamy, S.","3,5-Dimethyl-2,6-diphenylpiperidine","Acta Crystallographica Section E","2014","70","4","o404","","10.1107/S160053681400470X","","","0.71073","MoKα","","0.0788","0.0512","","","0.1722","0.2156","","","","","","0.776","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2242892","14.6474","0.0014","17.522","0.002","8.9048","0.0008","90","","90","","90","","2285.4","0.4","296","","296","","","","","","","","","5","I b a 2","I 2 -2c","45","","(<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","NR2074","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook","(<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H···S and C—H···π interactions","Acta Crystallographica Section E","2019","75","5","571","575","10.1107/S2056989019004444","","","0.71073","MoKα","","0.0403","0.033","","","0.087","0.0935","","","","","","1.06","","","","has coordinates,has Fobs","214501","2020-10-21","18:00:00",""
"2311115","16.2444","0.0006","21.17","0.0006","7.2399","0.0002","90","","90","","90","","2489.76","0.13","103","","103","","","","","","","","","3","I b a 2","I 2 -2c","45","","5-(Prop-2-yn-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepine","","- C17 H13 N -","- C17 H13 N -","- C136 H104 N8 -","8","1","HB6998","Abdoh, M. M. M.; Madan Kumar, S.; Vinay Kumar, K. S.; Manjunath, B. C.; Sadashiva, M. P.; Lokanath, N. K.","5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o17","","10.1107/S1600536812048908","","","0.71073","MoKα","","0.0283","0.0258","","","0.0658","0.0674","","","","","","1.088","","","","has coordinates","245587","2020-10-21","18:00:00",""
"4001698","13.4677","0.0004","26.8557","0.0005","11.116","0.0005","90","","90","","90","","4020.5","0.2","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 La3 O40 P4 -","- C8 La3 O40 P4 -","- C32 La12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","Cuka","","","","","","","","0.13667","","3.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001700","13.4033","0.0005","26.6912","0.001","11.0963","0.0005","90","","90","","90","","3969.7","0.3","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 Ce3 O40 P4 -","- C8 Ce3 O40 P4 -","- C32 Ce12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06693","","1.78","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003427","14.79527","0.00013","27.36341","0.00034","8.34464","0.00006","90","","90","","90","","3378.32","0.06","100","2","","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C3 Al4 O16 P4 -","- C3 Al4 O16 P4 -","- C24 Al32 O128 P32 -","8","1","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.826019","synchrotron","","","","","","","","0.17879","","4.59","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003428","14.8022","0.0001","27.33066","0.00021","8.3487","0.00005","90","","90","","90","","3377.5","0.04","100","2","","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C2 Al4 N O16 P4 -","- C2 Al4 N O16 P4 -","- C16 Al32 N8 O128 P32 -","8","1","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.827267","synchrotron","","","","","","","","0.16515","","1.7","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003429","14.79668","0.00013","27.5248","0.00026","8.32555","0.00004","90","","90","","90","","3390.79","0.05","100","2","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.827267","synchrotron","","","","","","","","0.17188","","1.66","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003430","14.7696","0.0006","27.6372","0.0011","8.35796","0.00022","90","","90","","90","","3411.6","0.2","290","2","290","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.1444","","3.19","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4020906","16.5752","0.0002","17.3959","0.0001","7.3023","0.0001","90","","90","","90","","2105.55","0.03","296.1","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C104 H80 O24 -","8","1","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate","Journal of Organic Chemistry","2004","69","","3408","3412","10.1021/jo0357465","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022018","18.454","0.004","22.937","0.005","7.2039","0.0015","90","","90","","90","","3049.3","1.2","294","2","294","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C21 H16 O -","- C21 H16 O -","- C168 H128 O8 -","8","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1134","0.0446","","","0.0859","0.1088","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024090","18.3485","0.0005","16.3317","0.0004","8.575","0.0002","90","","90","","90","","2569.6","0.11","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","2,4',4'-Trimethyl-2,3-dihydrospiro(2,3-epoxy-indene-1,2'-[1,3]-oxazolidine)","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna","Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes","Journal of Organic Chemistry","2007","72","","6316","6319","10.1021/jo070708x","","","0.71073","MoKα","","0.0317","0.0301","","","0.0821","0.0837","","","","","","1.104","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4027294","11.804","0.016","37.23","0.03","7.129","0.006","90","","90","","90","","3133","6","294","2","294","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H9 Cl5 O3 -","- C14 H9 Cl5 O3 -","- C112 H72 Cl40 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0886","0.0652","","","0.1444","0.1651","","","","","","0.922","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027295","11.6597","0.0014","34.37","0.004","7.0803","0.0009","90","","90","","90","","2837.4","0.6","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H10 Cl4 O3 -","- C14 H10 Cl4 O3 -","- C112 H80 Cl32 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0686","0.0631","","","0.1431","0.147","","","","","","1.147","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4030915","9.4874","0.0007","21.545","0.001","13.164","0.001","90","","90","","90","","2690.8","0.3","","","293","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C24 H20 Cu N4 O7 S2 -","- C24 H20 Cu N4 O7 S2 -","- C96 H80 Cu4 N16 O28 S8 -","4","0.5","","Jovanovski, G.; Naumov, P.; Grupče, O.; Kaitner, B.","Structural study of monoaquabis(pyridine)bis(saccharinato)copper(II), [Cu(H~2~O)(py)~2~(sac)~2~]","European Journal of Solid State and Inorganic Chemistry","1998","35","3","231","242","10.1016/S0992-4361(98)80004-0","","x-ray","0.71073","MoKα","","","0.025","","","0.036","","","","","","","1.03","","","","has coordinates","182188","2020-10-21","18:00:00",""
"4033300","17.8601","0.0017","24.785","0.003","9.4639","0.0009","90","","90","","90","","4189.3","0.8","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C20 H27 N O3 S Si -","- C20 H27 N O3 S Si -","- C160 H216 N8 O24 S8 Si8 -","8","1","","Wu, Weiming; Chen, Tianyu; Chen, Junjie; Han, Xiuling","Cationic Palladium(II)-Catalyzed Reductive Cyclization of Alkynyl Cyclohexadienones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02641","","","0.71073","MoKα","","0.035","0.03","","","0.0791","0.084","","","","","","1.047","","","","has coordinates","204610","2020-10-21","18:00:00",""
"4034789","31.1008","0.0007","15.905","0.0006","22.8099","0.0007","90","","90","","90","","11283.1","0.6","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H30 F8 N2 O3 -","- C30 H30 F8 N2 O3 -","- C480 H480 F128 N32 O48 -","16","2","","Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien","[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.","The Journal of organic chemistry","2018","83","10","5619","5628","10.1021/acs.joc.8b00601","","","1.54178","CuKα","","0.0472","0.0423","","","0.1114","0.1181","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036208","27.352","0.004","28.721","0.006","8.0562","0.001","90","","90","","90","","6328.8","1.8","150","2","150","2","","","","","","","","2","I b a 2","I 2 -2c","45","tribenzodecacyclene","Benzo[1,2-a:3,4-a':5,6-a""]triaceanthrylene","","- C48 H24 -","- C48 H24 -","- C384 H192 -","8","1","","Geng, Xin; Mague, Joel T.; Pascal, Jr, Robert A","Tribenzodecacyclene and hexabenzodecacyclene.","The Journal of organic chemistry","2015","80","9","4824","4827","10.1021/acs.joc.5b00551","","","0.71073","MoKα","","0.064","0.0507","","","0.1235","0.1356","","","","","","1.032","","","","has coordinates","234392","2020-10-21","18:00:00",""
"4037665","10.2622","0.0014","14.125","0.002","6.684","0.0009","90","","90","","90","","968.9","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C2 H3 N5 O2 -","- C2 H3 N5 O2 -","- C16 H24 N40 O16 -","8","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.064","0.0377","","","0.0876","0.1001","","","","","","1.085","","","","has coordinates","245172","2020-10-21","18:00:00",""
"4038362","16.643","0.003","21.249","0.004","14.381","0.003","90","","90","","90","","5085.8","1.7","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H22 N2 O2 Se2 -","- C30 H22 N2 O2 Se2 -","- C240 H176 N16 O16 Se16 -","8","1","","Liu, Zhengfen; Jiang, Yonggang; Liu, Chunxiang; Zhang, Linlin; Wang, Jing; Li, Tiantian; Zhang, Hongbin; Li, Minyan; Yang, Xiaodong","Metal-free Synthesis of Phenol-Aryl Selenides via Dehydrogenative C-Se Coupling of Aryl Selenoxides with Phenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00792","","","0.71073","MoKα","","0.0893","0.041","","","0.0692","0.0861","","","","","","0.994","","","","has coordinates","252058","2020-10-21","18:00:00",""
"4060235","11.3256","0.0004","20.6199","0.0005","5.3836","0.0002","90","","90","","90","","1257.25","0.07","223","2","223","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C5 H7 O2 Tl -","- C5 H7 O2 Tl -","- C40 H56 O16 Tl8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034167n","","","0.71073","MoKα","","0.0429","0.0388","","","0.1013","0.1037","","","","","","1.179","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4062178","17.662","0.003","40.678","0.006","6.6149","0.0008","90","","90","","90","","4752.4","1.2","213","2","213","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C28 H26 O2 Sn -","- C28 H26 O2 Sn -","- C224 H208 O16 Sn8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063510","14.512","0.002","16.715","0.002","13.66","0.002","90","","90","","90","","3313.5","0.8","150","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C17 H21 Cl N O Rh -","- C17 H21 Cl N O Rh -","- C136 H168 Cl8 N8 O8 Rh8 -","8","1","","Boutadla, Youcef; Al-Duaij, Omar; Davies, David L.; Griffith, Gerald A.; Singh, Kuldip","Mechanistic Study of Acetate-Assisted C‒H Activation of 2-Substituted Pyridines with [MCl2Cp*]2(M = Rh, Ir) and [RuCl2(p-cymene)]2","Organometallics","2009","28","2","433","440","10.1021/om800909w","","","0.71073","MoKα","","0.0255","0.0246","","","0.0587","0.0592","","","","","","1.09","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4063513","14.227","0.003","16.654","0.003","13.727","0.003","90","","90","","90","","3252.4","1.1","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C17 H21 Cl Ir N O -","- C17 H21 Cl Ir N O -","- C136 H168 Cl8 Ir8 N8 O8 -","8","1","","Boutadla, Youcef; Al-Duaij, Omar; Davies, David L.; Griffith, Gerald A.; Singh, Kuldip","Mechanistic Study of Acetate-Assisted C‒H Activation of 2-Substituted Pyridines with [MCl2Cp*]2(M = Rh, Ir) and [RuCl2(p-cymene)]2","Organometallics","2009","28","2","433","440","10.1021/om800909w","","","0.71073","MoKα","","0.0385","0.0327","","","0.0713","0.073","","","","","","0.994","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4064761","37.906","0.002","10.3445","0.0007","19.7199","0.0013","90","","90","","90","","7732.5","0.8","187","2","187","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C39 H51 Cl2 O4 P Zr -","- C39 H51 Cl2 O4 P Zr -","- C312 H408 Cl16 O32 P8 Zr8 -","8","1","","Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng","Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization","Organometallics","2011","30","15","4052","","10.1021/om200317x","","","0.71073","MoKα","","0.0732","0.0622","","","0.1548","0.164","","","","","","1.044","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4065152","30.443","0.002","18.8901","0.0015","29.089","0.002","90","","90","","90","","16728","2","153","2","153","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C104 H120 F72 Hg6 N34 P12 -","- C104 H120 F72 Hg6 N34 P12 -","- C416 H480 F288 Hg24 N136 P48 -","4","0.5","","Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt","Polynuclear Architectures with Di- and Tricarbene Ligands","Organometallics","2011","30","23","6393","","10.1021/om200591d","","","0.71073","MoKα","","0.0697","0.0533","","","0.1429","0.1551","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4066430","11.3797","0.0004","13.7855","0.0005","17.0064","0.0003","90","","90","","90","","2667.88","0.14","233","2","233","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C35 H32 N2 -","- C35 H32 N2 -","- C140 H128 N8 -","4","0.5","","Enk, Barbara; Eisenstecken, Daniela; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Pevny, Florian; Winter, Rainer F.; Bildstein, Benno","Doubly N-Functionalized Pentafulvenes and Redox-Responsive [N,N]- and [N,C,N]-Pincer Bis(imidoyl)pentamethylruthenocene Metalloligands","Organometallics","2010","29","14","3169","","10.1021/om100458h","","","0.71073","MoKα","","0.0348","0.0322","","","0.0833","0.0853","","","","","","1.046","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4067092","18.459","0.003","30.104","0.008","29.388","0.007","90","","90","","90","","16331","6","200","2","200","2","","","","","","","synthesis as described","6","I b a 2","I 2 -2c","45","","","","- C70 H112 Cu4 N8 Si2 Ti6 -","- C70 H112 Cu4 N8 Si2 Ti6 -","- C560 H896 Cu32 N64 Si16 Ti48 -","8","1","","Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E. G.; Pérez-Redondo, Adrián; Yélamos, Carlos","Cyclopentadienyl and Alkynyl Copper(I) Derivatives with the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Organometallics","2010","29","24","6732","","10.1021/om100824q","","x-ray","0.71073","MoKα","","0.1367","0.0635","","","0.1247","0.1625","","","","","","1.077","","","","has coordinates,has disorder","178505","2020-10-21","18:00:00",""
"4068729","28.4938","0.0006","17.8978","0.0003","17.8233","0.0003","90","","90","","90","","9089.5","0.3","110","2","110","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C180 H250 Cl8 N8 O13 Zr4 -","- C180 H250 Cl8 N8 O13 Zr4 -","- C360 H500 Cl16 N16 O26 Zr8 -","2","0.25","","Cohen, Ad; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe","C1-Symmetric Zirconium Complexes of [ONNO′]-Type Salan Ligands: Accurate Control of Catalyst Activity, Isospecificity, and Molecular Weight in 1-Hexene Polymerization","Organometallics","2009","28","5","1391","","10.1021/om801058w","","","0.71073","MoKα","","0.0684","0.0504","","","0.1146","0.1228","","","","","","1.072","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4070221","16.9297","0.0008","24.8457","0.0012","9.6732","0.0004","90","","90","","90","","4068.8","0.3","223","2","223","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C17 H24 Br2 N4 Pd -","- C17 H24 Br2 N4 Pd -","- C136 H192 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.032","0.027","","","0.0616","0.0632","","","","","","1.055","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070551","68.24","0.013","10.606","0.002","19.858","0.004","90","","90","","90","","14372","5","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C35 H57 Fe N2 O Sc Si2 -","- C35 H57 Fe N2 O Sc Si2 -","- C560 H912 Fe16 N32 O16 Sc16 Si32 -","16","2","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0655","0.0412","","","0.0871","0.0951","","","","","","0.922","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070621","25.124","0.0006","13.124","0.0002","16.4268","0.0003","90","","90","","90","","5416.37","0.18","200","","200","","","","","","","","?","7","I b a 2","I 2 -2c","45","","","","- C23 H26 B N7 O Ru S3 -","- C23 H26 B N7 O Ru S3 -","- C184 H208 B8 N56 O8 Ru8 S24 -","8","1","","Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.; Willis, Anthony C.","Synthesis of the Ruthenaboratranes [Ru(CS)(PPh3){B(mt)3}](Ru\ρightarrow B)8and [Ru(CO)(CNR){B(mt)3}](Ru→B)8(mt = methimazolyl, R =tBu, C6H3Me2-2,6, C6H2Me3-2,4,6)","Organometallics","2008","27","3","381","","10.1021/om7008777","","","0.71073","MoKα","","0.0376","0.0268","","0.0317","0.0266","0.0266","","","","","","1.0898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070781","24.62","0.003","24.621","0.004","8.4498","0.0011","90","","90","","90","","5122","1.2","298","2","298","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C23 H26 Cl Ir N2 O2 -","- C23 H26 Cl Ir N2 O2 -","- C184 H208 Cl8 Ir8 N16 O16 -","8","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0546","0.0345","","","0.076","0.0794","","","","","","0.934","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4071552","11.825","0.01","17.627","0.015","12.708","0.012","90","","90","","90","","2649","4","294","2","294","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8.5 H4 Fe2 O6 S2 -","- C8.5 H4 Fe2 O6 S2 -","- C68 H32 Fe16 O48 S16 -","8","1","","Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei","Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes","Organometallics","2008","27","13","3225","","10.1021/om800225y","","","0.71073","MoKα","","0.0873","0.0723","","","0.1806","0.1958","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073951","16.99","0.004","24.792","0.006","9.693","0.002","90","","90","","90","","4082.8","1.6","223","2","223","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C18 H23 Br2 N3 Pd -","- C18 H23 Br2 N3 Pd -","- C144 H184 Br16 N24 Pd8 -","8","1","","Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng","Syntheses and Characterizations of Pd(II) Complexes Incorporating aN-Heterocyclic Carbene and AromaticN-Heterocycles","Organometallics","2007","26","25","6447","","10.1021/om700753d","","","0.71073","MoKα","","0.0346","0.0298","","","0.073","0.0756","","","","","","1.033","","","","has coordinates,has disorder","178628","2020-10-21","18:00:00",""
"4083676","20.31","0.006","42.705","0.012","9.543","0.003","90","","90","","90","","8277","4","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C42 H54 N4 O Yb2 -","- C42 H54 N4 O Yb2 -","- C336 H432 N32 O8 Yb16 -","8","1","","Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng","Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes","Organometallics","2007","26","8","1934","","10.1021/om061094+","","","0.71073","MoKα","","0.0688","0.0392","","","0.1043","0.1243","","","","","","0.982","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4086047","19.6864","0.0009","53.858","0.002","10.8386","0.0005","90","","90","","90","","11491.8","0.9","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","Integration of JA205","","","- C66 H69 Cl N P3 Rh -","- C66 H69 Cl N P3 Rh -","- C528 H552 Cl8 N8 P24 Rh8 -","8","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.074","0.0534","","","0.1291","0.1436","","","","","","1.06","","","","has coordinates","152902","2020-10-21","18:00:00",""
"4088183","15.0644","0.001","29.8369","0.0019","11.2616","0.0007","90","","90","","90","","5061.8","0.6","130","","130","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C27 H43 P2 Ru -","- C27 H43 P2 Ru -","- C216 H344 P16 Ru8 -","8","1","","Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation","Organometallics","2016","35","2","181","","10.1021/acs.organomet.5b00912","","","0.71073","MoKα","","0.0299","0.0254","","","0.0572","0.0591","","","","","","1.057","","","","has coordinates","237343","2020-10-21","18:00:00",""
"4101250","46.929","0.004","11.5729","0.0009","17.8941","0.0014","90","","90","","90","","9718.4","1.4","150","","150","","","","","","","","?","7","I b a 2","I 2 -2c","45","","","","- C52 H45 Br2 Ir N2 O2 S2 -","- C52 H45 Br2 Ir N2 O2 S2 -","- C416 H360 Br16 Ir8 N16 O16 S16 -","8","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.6904","synchrotron","","0.0722","0.0388","","0.089","0.0455","0.0455","","","","","","1.0006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103688","27.5","0.003","19.024","0.002","19.263","0.002","90","","90","","90","","10077.6","1.9","90","2","90","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C52.75 H74.75 Fe2 O2 -","- C49 H66 Fe2 O2 -","- C392 H528 Fe16 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","0.71073","MoKα","","0.075","0.055","","","0.1257","0.1341","","","","","","0.995","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103689","28.5365","0.0006","18.6658","0.0004","18.8017","0.0004","90","","90","","90","","10014.8","0.4","90","2","90","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C49 H66 Cr Fe O2 -","- C49 H66 Cr Fe O2 -","- C392 H528 Cr8 Fe8 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","1.54178","CuKα","","0.0308","0.0305","","","0.0897","0.09","","","","","","1.102","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103690","27.3962","0.0016","19.0486","0.0011","19.3019","0.0011","90","","90","","90","","10072.9","1","90","2","90","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C52.75 H74.75 Fe Mn O2 -","- C49 H66 Fe Mn O2 -","- C392 H528 Fe8 Mn8 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","0.71073","MoKα","","0.0537","0.0392","","","0.0882","0.0932","","","","","","0.992","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4104204","22.2091","0.0006","22.2174","0.0007","36.397","0.001","90","","90","","90","","17959.3","0.9","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C50 H45 Br2 Cl3 N4 -","- C50 H45 Br2 Cl3 N4 -","- C800 H720 Br32 Cl48 N64 -","16","2","","Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks","Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory","Journal of the American Chemical Society","2009","131","","5586","5608","10.1021/ja809555c","","","0.71073","MoKα","","0.0837","0.0436","","","0.0684","0.072","","","","","","1.033","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4105532","31.7261","0.0011","56.9758","0.0017","29.7638","0.0009","90","","90","","90","","53802","3","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C216 H180 B12 Cu6 F48 N54 -","- C216 H180 B6 Cu6 F24 N54 -","- C1728 H1440 B48 Cu48 F192 N432 -","8","1","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.2267","0.1068","","","0.2721","0.3227","","","","","","0.91","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4108259","17.3647","0.0003","20.5552","0.0004","10.8911","0.0002","90","","90","","90","","3887.41","0.12","100","2","100","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C22 H32 N4 -","- C22 H32 N4 -","- C176 H256 N32 -","8","1","","Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans","Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)","Journal of the American Chemical Society","2008","130","","11620","11622","10.1021/ja802292g","","","1.54178","Mo-Kα","","0.0314","0.0297","","","0.0778","0.0793","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111832","21.609","0.0007","7.4822","0.0002","8.2703","0.0003","90","","90","","90","","1337.17","0.07","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","2A3MP","2-Amino-3-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.035","0.033","","","0.0864","0.0882","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112258","13.483","0.002","21.392","0.003","6.8956","0.0009","90","","90","","90","","1988.9","0.5","296.2","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0721","","","","0.1558","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116366","38.823","0.002","12.3148","0.0008","21.4172","0.0013","90","","90","","90","","10239.5","1.1","198","2","198","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Fe(TPP)(NODMA)(py)","","- C64 H51 Fe N7 O -","- C64 H51 Fe N7 O -","- C512 H408 Fe8 N56 O8 -","8","1","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.1429","0.0624","","0.1458","0.127","","","","1.043","1.3","1.3","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4119101","11.437","0.007","21.583","0.013","9.476","0.006","90","","90","","90","","2339","2","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H30 Cu N4 -","- C26 H30 Cu N4 -","- C104 H120 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0883","0.0469","","","0.0996","0.117","","","","","","0.994","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4132965","21.8904","0.0004","22.987","0.0004","6.9137","0.0001","90","","90","","90","","3478.94","0.1","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19.25 H18.75 N2 O4.125 -","- C19.25 H18.75 N2 O4.125 -","- C154 H150 N16 O33 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.0679","0.0552","","","0.1633","0.1734","","","","","","1.084","","","","has coordinates","242825","2020-10-21","18:00:00",""
"4134931","16.9364","0.0006","18.8622","0.0006","16.6935","0.0006","90","","90","","90","","5332.9","0.3","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","I b a 2","I 2 -2c","45","","","","- C14 H21 N O -","- C14 H21 N O -","- C224 H336 N16 O16 -","16","2","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","1.54178","CuKα","","0.0386","0.0367","","","0.0948","0.0964","","","","","","1.056","","","","has coordinates,has disorder","251918","2020-10-21","18:00:00",""
"4135049","17.948","0.004","20.058","0.004","22.915","0.005","90","","90","","90","","8249","3","100","2","100","2","","","","","","","","8","I b a 2","I 2 -2c","45","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(bis(6-methyl-2-pyridylmethyl)(2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) 1,4-dioxane solvate","","- C79 H96 Br4 Co2 F12 N8 O13 P2 -","- C69 H76 Br4 Co2 F12 N8 O8 P2 -","- C276 H304 Br16 Co8 F48 N32 O32 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.7109","Synchrotron","","0.0732","0.0669","","","0.1715","0.1795","","","","","","1.054","","","","has coordinates,has disorder","252574","2020-10-21","18:00:00",""
"4301122","26.188","0.005","10.947","0.002","14.206","0.003","90","","90","","90","","4072.6","1.4","298","2","298","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19.5 H26 N4 O4.5 -","- C19.5 H22 N4 O4.5 -","- C156 H176 N32 O36 -","8","1","","Marie Heitzmann; Florence Bravard; Christelle Gateau; Nathalie Boubals; Claude Berthon; Jacques Pécaut; Marie-Christine Charbonnel; Pascale Delangle","Comparison of Two Tetrapodal N,O Ligands: Impact of the Softness of the Heterocyclic N-Donors Pyridine and Pyrazine on the Selectivity for Am(III) over Eu(III)","Inorganic Chemistry","2009","48","","246","256","10.1021/ic8017024","","","0.71073","MoKα","","0.1329","0.0723","","","0.159","0.1859","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4302018","19.8707","0.0009","39.4031","0.0019","15.1038","0.0006","90","","90","","90","","11825.8","0.9","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C73.5 H70 Fe2 N6 O -","- C73.5 H70 Fe2 N6 O -","- C588 H560 Fe16 N48 O8 -","8","1","","Edward C. Weintrob; Daniel Tofan; John E. Bercaw","Synthesis and Characterization of Iron Derivatives Having a Pyridine-Linked Bis(anilide) Pincer Ligand","Inorganic Chemistry","2009","48","","3808","3813","10.1021/ic900083s","","","0.71073","MoKα","","0.06","0.0416","","","0.0558","0.0567","","","","","","1.792","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4306792","26.765","0.004","31.067","0.004","9.5837","0.0013","90","","90","","90","","7968.9","1.9","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C43 H49.5 F N4 Ni O4 -","- C43 H49.5 F N4 Ni O4 -","- C344 H396 F8 N32 Ni8 O32 -","8","1","","Anna Arola-Arnal; Jordi Benet-Buchholz; Stephen Neidle; Ramón Vilar","Effects of Metal Coordination Geometry on Stabilization of Human Telomeric Quadruplex DNA by Square-Planar and Square-Pyramidal Metal Complexes","Inorganic Chemistry","2008","47","","11910","11919","10.1021/ic8016547","","","0.71073","MoKα","","0.1128","0.0821","","","0.2387","0.2681","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309308","33.968","0.0003","9.192","0.0006","16.913","0.0009","90","","90","","90","","5280.8","0.4","150","2","150","2","","","","","","","synthesized by the authors","8","I b a 2","I 2 -2c","45","","","","- C15 H39.5 Cl0.5 Li N4 O16 P Tb -","- C15 H24 Cl0.5 Li N4 O16 P Tb -","- C120 H192 Cl4 Li8 N32 O128 P8 Tb8 -","8","1","","Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants","Inorganic Chemistry","2005","44","","5591","5599","10.1021/ic048190s","","","0.71073","MoKα","","0.0515","0.039","","","0.0738","0.0781","","","","","","1.08","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4311629","19.913","0.01","12.094","0.01","11.754","0.01","90","","90","","90","","2831","4","293","2","295","2","","","","","","","","6","I b a 2","I 2 -2c","45","Aqua Methyl Cobalt ethanediamine","","","- C5 H21 Co N4 O7 S2 -","- C5 H19 Co N4 O7 S2 -","- C40 H152 Co8 N32 O56 S16 -","8","1","","Basam M. Alzoubi; Günter Liehr; Rudi van Eldik","Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents","Inorganic Chemistry","2004","43","","6093","6100","10.1021/ic049761j","","","0.7093","","","0.0664","0.0555","","","0.1349","0.1431","","","","","","1.186","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4314847","16.8989","0.00008","31.95473","0.00015","19.98864","0.00011","90","","90","","90","","10793.9","0.09","173","2","173","2","","","","","","","","8","I b a 2","I 2 -2c","45","","","","- C50 H62 Au Cl2 F6 N4 P S2 -","- C50 H62 Au Cl2 F6 N4 P S2 -","- C400 H496 Au8 Cl16 F48 N32 P8 S16 -","8","1","","Saira Naeem; Lionel Delaude; Andrew J. P. White; James D. E. T. Wilton-Ely","The Use of Imidazolium-2-dithiocarboxylates in the Formation of Gold(I) Complexes and Gold Nanoparticles","Inorganic Chemistry","2010","49","4","1784","1793","10.1021/ic9021504","","","1.54184","CuKα","","0.0295","0.0275","","","0.0723","0.0735","","","","","","1.054","","","","has coordinates,has disorder","179228","2020-10-21","18:00:00",""
"4316476","19.2519","0.0017","8.7533","0.0008","11.9519","0.001","90","","90","","90","","2014.1","0.3","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H20 Au2 O4 P2 Se4 -","- C8 H20 Au2 O4 P2 Se4 -","- C32 H80 Au8 O16 P8 Se16 -","4","0.5","","Hong-Jhin You; Ching-Shiang Fang; Ju-Ling Lin; Shih-Sheng Sun; C. W. Liu","Dinuclear Gold Diselenophosphate Complexes: Structures and Photoluminescence","Inorganic Chemistry","2010","49","","7641","7643","10.1021/ic101390e","","","0.71073","MoKα","","0.0423","0.0281","","","0.0622","0.084","","","","","","1.086","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4317256","19.15","0.002","36.173","0.004","11.3317","0.0012","90","","90","","90","","7849.6","1.5","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","Cr(ditox)3(OSiMe3)","","","- C36 H81 Cr O5 Si -","- C35 H77 Cr O4.5 Si -","- C280 H616 Cr8 O36 Si8 -","8","1","","Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Pseudotetrahedral d0, d1, and d2 Metal-Oxo Cores within a Tris(alkoxide) Platform","Inorganic Chemistry","2010","49","","10759","10761","10.1021/ic101968s","","","0.71073","MoKα","","0.0309","0.0281","","","0.0701","0.0722","","","","","","1.05","","","","has coordinates,has disorder","179252","2020-10-21","18:00:00",""
"4322206","19.142","0.004","9.876","0.002","12.846","0.003","90","","90","","90","","2428.5","0.9","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","bis((m2-cyclooctane-1,5-diyl-borane-oxo) dimethylaluminum)","","- C20 H40 Al2 B2 O2 -","- C20 H40 Al2 B2 O2 -","- C80 H160 Al8 B8 O8 -","4","0.5","","Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski","Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In","Inorganic Chemistry","1999","38","","3796","3800","10.1021/ic981454o","","","1.54178","CuKα","","0.07","0.0568","","0.1567","0.1437","","","","1.082","1.122","1.122","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322367","19.056","0.003","11.248","0.001","16.188","0.003","90","","90","","90","","3469.8","0.9","294.2","","294","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C25 H41 Cl N6 O4 Pd2 S4 -","- C25 H41 Cl N6 O4 Pd2 S4 -","- C100 H164 Cl4 N24 O16 Pd8 S16 -","4","0.5","","Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury","Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations","Inorganic Chemistry","1999","38","","5453","5456","10.1021/ic9813720","","","0.71073","MoKα","","","0.033","","","0.0377","","","","","1.99","1.99","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323317","11.6704","0.0009","13.336","0.001","17.321","0.002","90","","90","","90","","2695.8","0.4","173","2","173","2","","","","","","","synthesized","5","I b a 2","I 2 -2c","45","cis,cis-Tetrachloro-bis(diethylamido)-bis(diethylamine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(cis,cis)-1,2- bis(diethylamine) ditungsten(III)","","- C16 H42 Cl4 N4 W2 -","- C16 H42 Cl4 N4 W2 -","- C64 H168 Cl16 N16 W8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2","Inorganic Chemistry","1997","36","","559","566","10.1021/ic9610694","","","0.7093","MoKα","","0.0282","0.0224","","0.056","0.0539","","","","1.098","1.101","1.101","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323689","23.452","0.004","23.483","0.004","33.697","0.007","90","","90","","90","","18558","6","200","2","200","","","","","","","","","9","I b a 2","I 2 -2c","45","compound 12*BCl4","","","- C41.75 H39 B Cl6.5 Co F0 N0 O0.13 P3 -","- C83.5 H78 B2 Cl13 Co2 O0.25 P6 -","- C668 H624 B16 Cl104 Co16 O2 P48 -","8","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.067","0.0653","","0.1997","0.1968","","","","1.096","1.098","1.098","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324306","29.549","0.002","12.5168","0.0008","18.6829","0.0011","90","","90","","90","","6910","0.8","173","2","173","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C30 H28 Fe N10 O S2 -","- C30 H28 Fe N10 O S2 -","- C240 H224 Fe8 N80 O8 S16 -","8","1","","Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer","Inorganic Chemistry","2011","50","","911","917","10.1021/ic101490a","","","0.71073","MoKα","","0.0946","0.0539","","","0.1059","0.1133","","","","","","0.912","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4327195","6.8978","0.0002","13.1462","0.0007","23.8569","0.0016","90","","90","","90","","2163.3","0.2","298","2","298","2","","","","","","","","8","I b a 2","I 2 -2c","45","","","","- C8 H10 Br2 Cl4 N4 Ni O2 Re -","- C8 H6 Br2 Cl4 N4 Ni O2 Re -","- C32 H24 Br8 Cl16 N16 Ni4 O8 Re4 -","4","0.5","","José Martínez-Lillo; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus","First Magnetostructural Study on a Heterodinuclear 2,2'-Bipyrimidine-Bridged Complex","Inorganic Chemistry","2011","50","","12405","12407","10.1021/ic202088s","","","0.71073","MoKα","","0.1068","0.0973","","","0.2992","0.3162","","","","","","1.515","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4333527","28.467","0.006","28.594","0.006","12.96","0.003","90","","90","","90","","10549","4","95","2","95","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C36 H36 Li4 N4 O10 -","- C36 H27 Li4 N4 O10 -","- C288 H216 Li32 N32 O80 -","8","1","","Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon","Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites","Inorganic Chemistry","2013","52","","589","595","10.1021/ic3011458","","","0.74999","synchrotron","","0.0884","0.0862","","","0.2447","0.2489","","","","","","1.07","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333528","28.71","0.006","28.737","0.006","12.883","0.003","90","","90","","90","","10629","4","95","2","95","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C36 H31 Li4 N3 O12 -","- C36 H27 Li4 N3 O12 -","- C288 H216 Li32 N24 O96 -","8","1","","Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon","Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites","Inorganic Chemistry","2013","52","","589","595","10.1021/ic3011458","","","0.9","synchrotron","","0.2087","0.1906","","","0.4563","0.4817","","","","","","2.042","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4337924","22.2642","0.0012","24.4304","0.001","12.265","0.0006","90","","90","","90","","6671.2","0.6","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C26 H39 I2 O3 U -","- C26 H39 I2 O3 U -","- C208 H312 I16 O24 U8 -","8","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","1.54178","CuKα","","0.0668","0.0652","","","0.1922","0.1947","","","","","","1.154","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4340087","23.407","0.003","29.545","0.004","29.171","0.004","90","","90","","90","","20173","5","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C38 H34 Ag2 N8 O6 -","- C38 H34 Ag2 N8 O6 -","- C608 H544 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0401","0.0395","","","0.108","0.1084","","","","","","1.077","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340088","23.2918","0.0006","27.1541","0.0008","31.0404","0.0012","90","","90","","90","","19632.1","1.1","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C38 H34 Ag2 N8 O6 -","- C38 H34 Ag2 N8 O6 -","- C608 H544 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.056","0.0465","","","0.1164","0.1214","","","","","","0.959","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340089","23.3024","0.0005","29.3223","0.0008","29.7087","0.0009","90","","90","","90","","20299.4","0.9","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0373","0.0323","","","0.0879","0.0958","","","","","","1.029","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340090","23.2149","0.0008","27.5663","0.001","30.2911","0.0013","90","","90","","90","","19384.8","1.3","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C38 H34 Ag2 N8 O8 -","- C38 H34 Ag2 N8 O8 -","- C608 H544 Ag32 N128 O128 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0608","0.0392","","","0.0778","0.0859","","","","","","0.864","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340092","23.1895","0.0008","29.6451","0.0016","29.5164","0.0011","90","","90","","90","","20291.2","1.5","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0863","0.0642","","","0.1593","0.1691","","","","","","0.988","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340093","23.3285","0.0007","27.992","0.0013","30.8373","0.0013","90","","90","","90","","20137.1","1.4","213","2","213","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0575","0.0411","","","0.0852","0.0888","","","","","","0.94","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340094","23.3987","0.0006","28.2329","0.0008","30.8115","0.0011","90","","90","","90","","20354.5","1.1","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C42 H42 Ag2 N8 O6 -","- C42 H42 Ag2 N8 O6 -","- C672 H672 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0449","0.0365","","","0.0867","0.0902","","","","","","0.912","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340095","23.2372","0.0006","28.5061","0.0012","29.7162","0.001","90","","90","","90","","19684.1","1.2","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O8 -","- C40 H38 Ag2 N8 O8 -","- C640 H608 Ag32 N128 O128 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0586","0.043","","","0.1114","0.1175","","","","","","0.938","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340096","22.9914","0.0008","29.758","0.0013","28.7883","0.0014","90","","90","","90","","19696.3","1.5","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O8 -","- C40 H38 Ag2 N8 O8 -","- C640 H608 Ag32 N128 O128 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0784","0.0646","","","0.1837","0.1909","","","","","","1.014","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340097","23.335","0.008","30.373","0.013","27.34","0.03","90","","90","","90","","19377","2","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C42 H42 Ag2 N8 O10 -","- C42 H42 Ag2 N8 O10 -","- C672 H672 Ag32 N128 O160 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0536","0.0473","","","0.1205","0.1235","","","","","","1.072","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4344032","18.72","0.002","48.938","0.007","8.0507","0.0009","90","","90","","90","","7375.4","1.6","123","","123","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C40 H35 B F2 Fe N2 O4 -","- C40 H35 B F2 Fe N2 O4 -","- C320 H280 B8 F16 Fe8 N16 O32 -","8","1","","Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N.","Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.","Inorganic chemistry","2015","54","16","7915","7928","10.1021/acs.inorgchem.5b00992","","","0.71075","MoKα","","0.2338","0.1118","","0.2705","0.1552","0.2346","","","","","","0.9932","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344469","9.163","0.0003","12.5772","0.0004","7.3398","0.0002","90","","90","","90","","845.87","0.04","295","2","295","2","","","","","","","","6","I b a 2","I 2 -2c","45","(urea)2MnCl2","","","- C2 H8 Cl2 Mn N4 O2 -","- C2 H8 Cl2 Mn N4 O2 -","- C8 H32 Cl8 Mn4 N16 O8 -","4","0.5","","Manson, Jamie L.; Huang, Qing-Zhen; Brown, Craig M.; Lynn, Jeffrey W.; Stone, Matthew B.; Singleton, John; Xiao, Fan","Magnetic Structure and Exchange Interactions in Quasi-One-Dimensional MnCl2(urea)2.","Inorganic chemistry","2015","54","24","11897","11905","10.1021/acs.inorgchem.5b02162","","","0.71073","MoKα","","0.0216","0.02","","","0.0486","0.0493","","","","","","1.082","","","","has coordinates","173569","2020-10-21","18:00:00",""
"4346344","22.648","0.003","19.359","0.002","21.505","0.003","90","","90","","90","","9429","2","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H22 N20 Ni O20 -","- C30 H22 N20 Ni O20 -","- C240 H176 N160 Ni8 O160 -","8","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.1386","0.0886","","","0.2322","0.2772","","","","","","1.025","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346689","9.8","0.0019","13.708","0.003","5.1576","0.0011","90","","90","","90","","692.9","0.3","100","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C H8 B N -","- C H8 B N -","- C8 H64 B8 N8 -","8","1","","Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian","B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions.","Inorganic chemistry","2015","54","22","10878","10889","10.1021/acs.inorgchem.5b01946","","","1.54178","CuKα","","0.0274","0.0274","","","0.0739","0.0739","","","","","","1.096","","","","has coordinates","231924","2020-10-21","18:00:00",""
"4348200","18.721","0.008","10.223","0.004","12.798","0.005","90","","90","","90","","2449.3","1.7","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H22 N12 O6 S4 Zn -","- C8 H22 N12 O6 S4 Zn -","- C32 H88 N48 O24 S16 Zn4 -","4","0.5","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71075","MoKα","","0.0693","0.0556","","","0.097","0.1072","","","","","","0.906","","","","has coordinates","232821","2020-10-21","18:00:00",""
"4501771","15.7042","0.0008","21.6248","0.0013","8.6312","0.0006","90","","90","","90","","2931.2","0.3","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","1","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502744","13.983","0.0012","29.496","0.003","34.577","0.003","90","","90","","90","","14261","2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C78 H76 N6 Ni2 O17 -","- C78 H76 N6 Ni2 O17 -","- C624 H608 N48 Ni16 O136 -","8","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.2803","0.1815","","","0.4329","0.4953","","","","","","1.365","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4503259","37.709","0.0007","12.302","0.0009","16.303","0.0012","90","0.001","90","0.0009","90","0.001","7562.9","0.8","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C34 H44 Cu N10 O6 S2 -","- C34 H36 Cu N10 O6 S2 -","- C272 H288 Cu8 N80 O48 S16 -","8","1","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71069","MoKα","","0.1023","0.0689","","","0.178","0.1931","","","","","","0.951","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503691","14.966","0.003","75.384","0.014","9.813","0.0019","90","","90","","90","","11071","4","393","2","393","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C36 H54 N24 O12 Zn6 -","- C36 H54 N24 O12 Zn6 -","- C288 H432 N192 O96 Zn48 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0602","0.0502","","","0.1206","0.1318","","","","","","1.055","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503692","15.962","0.003","24.972","0.005","9.655","0.002","90","","90","","90","","3848.5","1.3","123","2","123","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C13 H20 N8 O4 Zn2 -","- C13 H20 N8 O4 Zn2 -","- C104 H160 N64 O32 Zn16 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0829","0.0511","","","0.1157","0.1562","","","","","","1.098","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503693","18.203","0.007","23.242","0.009","9.606","0.004","90","","90","","90","","4064","3","123","2","123","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H22 N8 O4 Zn2 -","- C14 H22 N8 O4 Zn2 -","- C112 H176 N64 O32 Zn16 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.1028","0.0764","","","0.1533","0.1752","","","","","","1.124","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4507209","9.795","0.002","26.905","0.005","7.989","0.0016","90","","90","","90","","2105.4","0.7","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","2-hydroxyethylammonium 4-methylbenzoate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0499","0.0375","","","0.1027","0.1091","","","","","","1.008","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507847","19.2945","0.0016","9.0591","0.0005","7.5483","0.0004","90","","90","","90","","1319.37","0.15","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C4 H4 O4 Pb S -","- C4 H4 O4 Pb S -","- C32 H32 O32 Pb8 S8 -","8","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0311","0.0296","","","0.0667","0.0675","","","","","","1.042","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4512270","19.26","0.0004","21.0541","0.0003","12.845","0.0002","90","","90","","90","","5208.67","0.15","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C24 H58 Cu7 O54 -","- C24 H58 Cu7 O54 -","- C96 H232 Cu28 O216 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0265","0.023","","","0.0488","0.0493","","","","","","0.978","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512961","26.9942","0.0008","18.3383","0.0005","19.1907","0.0005","90","","90","","90","","9499.9","0.5","100","2","100","2","","","","","","","","4","I b a 2","I 2 -2c","45","RsC3, bpea","C-propylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane","","- C56 H56 N4 O8 -","- C56 H56 N4 O8 -","- C448 H448 N32 O64 -","8","1","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","1.54178","CuKα","","0.0581","0.0544","","","0.1574","0.1608","","","","","","1.122","","","","has coordinates","138040","2020-10-21","18:00:00",""
"4514360","24.752","0.006","10.97","0.003","22.093","0.005","90","","90","","90","","5999","3","173.15","","173.15","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C52 H44 Br2 Cl8 N2 Ni -","- C52 H44 Br2 Cl8 N2 Ni -","- C208 H176 Br8 Cl32 N8 Ni4 -","4","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0543","0.0346","","","0.0809","0.089","","","","","","1.018","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4515832","14.7666","0.0012","20.376","0.0011","7.0357","0.0004","90","","90","","90","","2116.9","0.2","123","2","123","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","","Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.","A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.","ACS combinatorial science","2018","20","5","256","260","10.1021/acscombsci.8b00032","","","1.54178","CuKα","","0.0251","0.0244","","","0.0618","0.0626","","","","","","1.069","","","","has coordinates","225932","2020-10-21","18:00:00",""
"4519280","11.8574","0.0005","12.9781","0.0006","17.527","0.0008","90","","90","","90","","2697.2","0.2","301","2","301","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Cd2 Cs2 Ga8 S15 -","- Cd2 Cs2 Ga8 S15 -","- Cd8 Cs8 Ga32 S60 -","4","0.5","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0279","0.0257","","","0.0564","0.0569","","","","","","1.016","","","","has coordinates","272450","2022-02-03","20:06:55",""
"7000141","8.0423","0.0007","11.531","0.001","17.3505","0.0016","90","","90","","90","","1609","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C4 H6 Cu N3 -","- C4 H6 Cu N3 -","- C48 H72 Cu12 N36 -","12","1.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3681","3685","10.1039/b509615d","","","0.71073","MoKα","","0.0315","0.0289","","","0.0643","0.0653","","","","","","1.013","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7001952","17.0929","0.0008","17.4818","0.0008","35.3573","0.0011","90","","90","","90","","10565.3","0.8","173","2","173","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C42 H66 Ag4 I4 N4 O2 P2 -","- C42 H66 Ag4 I4 N4 O2 P2 -","- C336 H528 Ag32 I32 N32 O16 P16 -","8","1","","Raynal, Matthieu; Liu, Xianghao; Pattacini, Roberto; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Unprecedented cubane-type silver cluster with a novel phosphinite functionalized N-heterocyclic carbene ligand","Dalton Transactions","2009","","35","7288","","10.1039/b911439d","","","0.71073","MoKα","","0.0605","0.048","","","0.1297","0.145","","","","","","1.12","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7002262","16.3211","0.0011","17.7522","0.0011","31.585","0.003","90","","90","","90","","9151.3","1.2","133","2","133","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C35.5 H54.5 Cl7.5 Co2 N4 O3 -","- C35.5 H54.5 Cl7.5 Co2 N4 O3 -","- C284 H436 Cl60 Co16 N32 O24 -","8","1","","Sachse, Anna; Demeshko, Serhiy; Meyer, Franc","Structural and magnetic variability of cobalt(II) complexes with bridging pyrazolate ligands bearing appended imine groups","Dalton Transactions","2009","","37","7756","7764","10.1039/b907817g","","","0.71073","MoKα","","0.0314","0.0298","","","0.0754","0.0761","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7004568","18.3259","0.0015","25.3","0.002","7.524","0.0007","90","","90","","90","","3488.5","0.5","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H7 Mn N3 O8 -","- C14 H7 Mn N3 O8 -","- C112 H56 Mn8 N24 O64 -","8","1","","Li, Wei; Jia, Hong-Peng; Ju, Zhan-Feng; Zhang, Jie","A series of manganese‒carboxylate coordination polymers exhibiting diverse magnetic properties","Dalton Transactions","2008","","39","5350","5357","10.1039/b808691e","","","0.71073","MoKα","","0.0678","0.0541","","","0.189","0.2013","","","","","","0.994","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7005408","16.542","0.002","26.674","0.004","8.788","0.001","90","","90","","90","","3877.6","0.9","193","2","193","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H26 As N6 Nd Se4 -","- C8 H26 As N6 Nd Se4 -","- C64 H208 As8 N48 Nd8 Se32 -","8","1","","Jia, Dingxian; Zhu, Aimei; Deng, Jie; Zhang, Yong; Dai, Jie","Direct solvothermal growth, crystal structures, and optical properties of one-dimensional lanthanide selenidoarsenate(v) polymers [Ln(dien)2(micro3-AsSe4)] (Ln = Nd, Sm): the first example of an AsSe4(3-) anion acting as a ligand to a lanthanide complex.","Dalton transactions (Cambridge, England : 2003)","2007","","20","2083","2086","10.1039/b701995e","","","0.71073","MoKα","","0.0305","0.0284","","","0.0577","0.0588","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007391","15.977","0.003","16.6924","0.0011","15.8375","0.0017","90","","90","","90","","4223.8","1","173","2","173","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C27 H54 F12 N6 Ni2 O3 P2 -","- C27 H54 F12 N6 Ni2 O3 P2 -","- C108 H216 F48 N24 Ni8 O12 P8 -","4","0.5","","Lozano, A. Abel; Sáez, Magalí; Pérez, José; García, Luís; Lezama, Luís; Rojo, Teófilo; López, Gregorio; García, Gabriel; Santana, Ma Dolores","Structure and magnetic properties of carbonate-bridged five-coordinate nickel(II) complexes controlled by solvent effect.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3906","3911","10.1039/b604541c","","","0.71073","MoKα","","0.0652","0.0558","","","0.1653","0.1722","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009856","9.905","0.002","18.973","0.005","23.009","0.006","90","","90","","90","","4324","1.8","193","2","193","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C48 H36 N6 Ni O8 -","- C48 H36 N6 Ni O8 -","- C192 H144 N24 Ni4 O32 -","4","0.5","","Biradha, Kumar; Fujita, Makoto","Co-ordination polymers containing square grids of dimension 15 × 15 Å †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3805","","10.1039/b004054l","","","0.71073","MoKα","","0.1582","0.0863","","","0.2244","0.2487","","","","","","1.1","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7010246","25.283","0.005","14.986","0.003","21.337","0.004","90","","90","","90","","8084","3","153","","153","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C45 H51 Mo N3 O4 -","- C45 H51 Mo N3 O4 -","- C360 H408 Mo8 N24 O32 -","8","1","","Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H.","An investigation of 1,4,7-tri(4-alkynyl)-1,4,7-triazacyclononanes: ligand synthesis and metal co-ordination chemistry †","Journal of the Chemical Society, Dalton Transactions","2000","","24","4607","","10.1039/b007324p","","","0.71073","MoKα","","0.051","0.037","","0.049","","0.045","","","1.485","","","1.548","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7012890","16.739","0.001","23.863","0.001","12.345","0.001","90","","90","","90","","4931.1","0.5","193","2","193","2","","","","","","","","5","I b a 2","I 2 -2c","45","B-(tris(trimethylsilyl)ethynyl)-borazine","","","- C15 H30 B3 N3 Si3 -","- C15 H30 B3 N3 Si3 -","- C120 H240 B24 N24 Si24 -","8","1","","Jörg Haberecht; Anja Krummland; Frank Breher; Björn Gebhardt; Heinz Rüegger; Reinhard Nesper; Hansjörg Grützmacher","Functionalized borazines as precursors for new silica gels","Dalton Trans.","2003","","11","2126","2132","10.1039/b302275g","","","0.71073","MoKα","","0.0371","0.035","","","0.1024","0.1042","","","","","","1.053","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7013265","20.56","0.02","22.659","0.016","24.35","0.03","90","","90","","90","","11344","2","213","2","213","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C40 H81 Al2.5 Cl2.5 O14 P2 -","- C40 H71 Al2.5 Cl2.5 O14 P2 -","- C320 H568 Al20 Cl20 O112 P16 -","8","1","","Thierry Azaïs; Christian Bonhomme; Laure Bonhomme-Coury; Guido Kickelbick","Aluminophosphonate clusters: a new architecture","Dalton Trans.","2003","","16","3158","3159","10.1039/b305982k","","","0.71073","MoKα","","0.0824","0.0763","","","0.2108","0.2224","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015678","13.7805","0.0006","40.4138","0.0016","19.15","0.0009","90","","90","","90","","10665.1","0.8","173","2","173","2","","","","","","","","8","I b a 2","I 2 -2c","45","","","","- C57 H49 Br2 Cl3 Fe2 Hg N2 P2 -","- C57 H49 Br2 Cl3 Fe2 Hg N2 P2 -","- C456 H392 Br16 Cl24 Fe16 Hg8 N16 P16 -","8","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.043","0.0382","","","0.0963","0.101","","","","","","1.026","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015711","10.6628","0.0002","15.7409","0.0003","20.5025","0.0004","90","","90","","90","","3441.18","0.11","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H28 Fe N2 O2 -","- C16 H28 Fe N2 O2 -","- C128 H224 Fe8 N16 O16 -","8","1","","Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.","Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5881","5890","10.1039/c1dt10024f","","","0.71073","MoKα","","0.0356","0.0283","","","0.071","0.0747","","","","","","1.045","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015712","10.626","0.0002","15.6935","0.0003","20.6601","0.0004","90","","90","","90","","3445.26","0.11","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H28 N2 O2 Zn -","- C16 H28 N2 O2 Zn -","- C128 H224 N16 O16 Zn8 -","8","1","","Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.","Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5881","5890","10.1039/c1dt10024f","","","0.71073","MoKα","","0.0364","0.0256","","","0.0616","0.0656","","","","","","1.029","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015889","22.955","0.005","47.028","0.009","20.745","0.004","90","","90","","90","","22395","8","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C85 H121 In6 N24 O40.5 -","- C85 H111 In6 N24 O40.5 -","- C680 H888 In48 N192 O324 -","8","1","","Oh, Minhak; Liu, Xinfang; Park, Mira; Kim, Dongwook; Moon, Dohyun; Lah, Myoung Soo","Entropically driven self-assembly of a strained hexanuclear indium metal-organic macrocycle and its behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5720","5727","10.1039/c1dt10220f","","","0.7","synchrotron","","0.0841","0.0554","","","0.1297","0.1425","","","","","","0.957","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017990","45.237","0.002","18.6322","0.001","23.8739","0.0013","90","","90","","90","","20122.5","1.8","150","2","150","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C204 H118 Cu6 F36 N24 P6 S6 -","- C204 H118 Cu6 F36 N24 P6 S6 -","- C816 H472 Cu24 F144 N96 P24 S24 -","4","0.5","","Cox, Nicola M.; Harding, Lindsay P.; Jones, Jennifer E.; Pope, Simon J. A.; Rice, Craig R.; Adams, Harry","Probing solution behaviour of metallosupramolecular complexes using pyrene fluorescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1568","1573","10.1039/c1dt11831e","","","0.71073","MoKα","","0.0877","0.066","","","0.1813","0.2","","","","","","1.015","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7018399","9.6018","0.0002","23.6046","0.0004","24.3824","0.0004","90","","90","","90","","5526.19","0.17","233","2","233","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C59 H60 Cl2 Ni O4 P4 -","- C59 H60 Cl2 Ni O4 P4 -","- C236 H240 Cl8 Ni4 O16 P16 -","4","0.5","","Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul","Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3503","3514","10.1039/c2dt11949h","","","0.71073","MoKα","","0.0398","0.0316","","","0.0699","0.0727","","","","","","1.06","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018659","17.58","0.0014","21.6924","0.0016","12.814","0.0006","90","","90","","90","","4886.6","0.6","100","2","100","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C25 H30 N6 O2 -","- C23 H24 N6 O -","- C184 H192 N48 O8 -","8","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.1332","0.0804","","","0.1698","0.192","","","","","","1.034","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7019091","11.985","0.006","16.493","0.008","17.398","0.008","90","","90","","90","","3439","3","293","2","293","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C33 H25 F6 Ir N2 O4 S2 -","- C33 H21 F6 Ir N2 O4 S2 -","- C132 H84 F24 Ir4 N8 O16 S8 -","4","0.5","","Wang, Renjie; Deng, Lijun; Zhang, Ting; Li, Jiuyan","Substituent effect on the photophysical properties, electrochemical properties and electroluminescence performance of orange-emitting iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6833","6841","10.1039/c2dt12206e","","","0.71073","MoKα","","0.0467","0.0343","","","0.0886","0.094","","","","","","1.054","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7021388","8.4899","0.0001","16.1856","0.0003","19.8846","0.0004","90","","90","","90","","2732.42","0.08","","","300","","","","","","","","","6","I b a 2","I 2 -2c","45","ZBP-K","","","- C12 H12 K2 O21 P6 Zn5 -","- C12 H6 K2 O21 P6 Zn5 -","- C48 H24 K8 O84 P24 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.99752","synchrotron","","0.01529","","","","","","0.01526","0.01782","1.0719","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021391","8.5337","0.0002","16.1764","0.0003","19.9903","0.0005","90","","90","","90","","2759.55","0.11","","","300","","","","","","","","","6","I b a 2","I 2 -2c","45","ZBP-NH4","","","- C12 H18 N2 O21 P6 Zn5 -","- C12 H6 N2 O21 P6 Zn5 -","- C48 H24 N8 O84 P24 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.9986","synchrotron","","0.0122","","","","","","0.01357","0.01958","0.6908","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7025131","18.8069","0.0005","23.6319","0.0008","12.0928","0.0005","90","","90","","90","","5374.6","0.3","200","2","200","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C23 H17 Cl3 Co N4 O4 -","- C23 H17 Cl3 Co N4 O4 -","- C184 H136 Cl24 Co8 N32 O32 -","8","1","","Kawade, Vitthal A.; Kumbhar, Avinash S.; Naik, Devidas B.; Butcher, Ray J.","Synthesis, characterization and pulse radiolysis of cobalt(II) complexes of 2-picolinate and polypyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5664","5675","10.1039/b925220g","","","0.71073","MoKα","","0.1527","0.08","","","0.1876","0.2201","","","","","","0.951","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025860","14.333","0.009","25.751","0.016","7.859","0.005","90","","90","","90","","2901","3","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C144 H96 N16 O16 -","8","1","","Crawford, Lynne A.; Ieva, Maria; McNab, Hamish; Parsons, Simon","Structural studies of some push-pull N-arylbenzazoles.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7147","7152","10.1039/c0dt00029a","","","0.71073","MoKα","","0.0337","0.0284","","","0.0594","0.0606","","","","","","0.969","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7027662","18.732","0.002","11.284","0.001","16.048","0.002","90","","90","","90","","3392.1","0.6","295","","295","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C25 H41 Cl N6 Ni2 O4 S4 -","- C25 H41 Cl2 N6 Ni2 O8 S4 -","- C100 H164 Cl8 N24 Ni8 O32 S16 -","4","0.5","","Bhattacharyya, Sudeep; Ghosh, Dipesh; Endo, Akira; Shimizu, Kunio; Weakley, Timothy J. R.; Chaudhury, Muktimoy","Nickel(II)-induced activation of a carbon‒nitrogen single bond(s) of a co-ordinated ligand by hydroxylated substrates: generation of mono- and bi-nuclear complexes with modified ligand frameworks †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3859","","10.1039/a905268b","","","0.71073","MoKα","","","0.041","","","0.042","","","","","2.17","2.17","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030267","11.7383","0.0004","12.36","0.0004","16.6796","0.0006","90","","90","","90","","2419.97","0.14","15","2","10","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al2 Sb18 Yb22 -","- Al Sb9 Yb11 -","- Al4 Sb36 Yb44 -","4","0.5","","Kastbjerg, Sofie; Uvarov, Catherine A.; Kauzlarich, Susan M.; Chen, Yu-Sheng; Nishibori, Eiji; Spackman, Mark A.; Iversen, Bo Brummerstedt","Crystal structure and chemical bonding of the intermetallic Zintl phase Yb11AlSb9.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10347","10353","10.1039/c2dt30278k","","","0.4428","synchrotron","","0.0321","0.0303","","","0.0663","0.0667","","","","","","1.391","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030977","7.4254","0.0004","29.56","0.002","17.5819","0.0014","90","","90","","90","","3859.1","0.5","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C42 H44 Mn N4 O6 -","- C42 H44 Mn N4 O6 -","- C168 H176 Mn4 N16 O24 -","4","0.5","","Feng, Jie; Du, Xin; Liu, Hui; Sui, Xin; Zhang, Chen; Tang, Yun; Zhang, Jingyan","Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10930","10939","10.1039/c4dt01111b","","","0.71073","MoKα","","0.1188","0.0493","","","0.0913","0.1045","","","","","","0.875","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7035675","12.356","0.004","20.211","0.006","9.735","0.003","90","","90","","90","","2431.1","1.3","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C H6 B11 F10 N O -","- C H6 B11 F10 N O -","- C8 H48 B88 F80 N8 O8 -","8","1","","Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik","Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19576","19586","10.1039/c5dt02055g","","","0.71073","MoKα","","0.0669","0.0414","","","0.0738","0.0869","","","","","","1.31","","","","has coordinates","171165","2020-10-21","18:00:00",""
"7039055","13.39","0.003","24.074","0.005","13.179","0.003","90","","90","","90","","4248.3","1.6","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C32 H24 N4 O22 Sm2 Zn -","- C32 H24 N4 O22 Sm2 Zn -","- C128 H96 N16 O88 Sm8 Zn4 -","4","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Highly selective luminescence sensing of nitrite and benzaldehyde based on 3d-4f heterometallic metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8700","8704","10.1039/c6dt01360k","","","0.71073","MoKα","","0.1253","0.1244","","","0.2952","0.2993","","","","","","1.011","","","","has coordinates","185446","2020-10-21","18:00:00",""
"7039056","13.368","0.003","23.922","0.005","13.092","0.003","90","","90","","90","","4186.7","1.6","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C32 H24 N4 O22 Tb2 Zn -","- C32 H24 N4 O22 Tb2 Zn -","- C128 H96 N16 O88 Tb8 Zn4 -","4","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Highly selective luminescence sensing of nitrite and benzaldehyde based on 3d-4f heterometallic metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8700","8704","10.1039/c6dt01360k","","","0.71073","MoKα","","0.0503","0.0469","","","0.1562","0.1631","","","","","","1.02","","","","has coordinates","185446","2020-10-21","18:00:00",""
"7043782","10.6648","0.0007","34.271","0.002","9.4843","0.0006","90","","90","","90","","3466.4","0.4","143","2","143","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C19 H22 N O P -","- C19 H22 N O P -","- C152 H176 N8 O8 P8 -","8","1","","Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve","The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2","Dalton Trans.","2017","","","","","10.1039/C7DT02305G","","","0.71073","MoKα","","0.058","0.0487","","","0.1164","0.1301","","","","","","1.202","","","","has coordinates","199023","2020-10-21","18:00:00",""
"7045346","13.6524","0.0004","27.8481","0.001","8.855","0.0003","90","","90","","90","","3366.61","0.19","100","2","100.03","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C19 H27 Fe N Si -","- C19 H27 Fe N Si -","- C152 H216 Fe8 N8 Si8 -","8","1","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.0276","0.025","","","0.0581","0.0592","","","","","","1.046","","","","has coordinates","205519","2020-10-21","18:00:00",""
"7047942","16.794","0.003","17.209","0.003","14.623","0.003","90","","90","","90","","4226.2","1.4","150","2","150","2","","","","","","","","7","I b a 2","I 2 -2c","45","[Zn(NNN)Cl](PF6)","Chloro-tri(2-pyridylmethyl)aminezinc(II) hexafluorophosphate","","- C18 H18 Cl F6 N4 P Zn -","- C18 H18 Cl F6 N4 P Zn -","- C144 H144 Cl8 F48 N32 P8 Zn8 -","8","1","","de Arruda, Eduardo Guimarães Ratier; Rocha, Bruno Alves; Barrionuevo, Manoel Victor Frutuoso; Aðalsteinsson, Heiðar Már; Galdino, Flávia Elisa; Loh, Watson; Lima, Frederico Alves; Abbehausen, Camilla","The influence of Zn<sup>II</sup> coordination sphere and chemical structure over the reactivity of metallo-β-lactamase model compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2900","2916","10.1039/c8dt03905d","","","0.71073","MoKα","","0.0513","0.0346","","","0.0704","0.0772","","","","","","1.022","","","","has coordinates,has disorder","224331","2020-10-21","18:00:00",""
"7052309","19.157","0.004","25.897","0.006","9.9046","0.0015","90","","90","","90","","4913.8","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C27 H30 N O2 P -","- C27 H30 N O2 P -","- C216 H240 N8 O16 P8 -","8","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0712","0.0498","","","0.1232","0.1325","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7054492","16.2354","0.0008","19.1181","0.001","8.2268","0.0004","90","","90","","90","","2553.5","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H14 O5 Pb -","- C12 H14 O5 Pb -","- C96 H112 O40 Pb8 -","8","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.0557","0.0326","","","0.0678","0.0798","","","","","","1.025","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7055777","38.0051","0.0015","12.0227","0.0003","7.3639","0.0018","90","","90","","90","","3364.7","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C19 H15 Cu N3 O3 -","- C19 H15 Cu N3 O3 -","- C152 H120 Cu8 N24 O24 -","8","1","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","1.5418","CuKα","","0.0346","0.0335","","","0.0963","0.0974","","","","","","1.044","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7057933","16.631","0.003","30.14","0.005","6.24","0.001","90","","90","","90","","3127.9","0.9","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C34 H28 N4 O5 -","- C34 H28 N4 O5 -","- C136 H112 N16 O20 -","4","0.5","","Mandal, Jayanta; Ghorai, Pravat; Brandão, Paula; Pal, Kunal; Karmakar, Parimal; Saha, Amrita","An aminoquinoline based biocompatible fluorescent and colourimetric pH sensor designed for cancer cell discrimination","New Journal of Chemistry","2018","42","24","19818","","10.1039/C8NJ04753G","","","0.71073","MoKα","","0.1279","0.0911","","","0.2711","0.304","","","","","","1.143","","","","has coordinates","230168","2020-10-21","18:00:00",""
"7058047","20.732","0.003","16.101","0.001","17.977","0.003","90","","90","","90","","6000.8","1.4","293","","293","","","","","","","","synthesis as described","7","I b a 2","I 2 -2c","45","","","","- C28 H31 Cl F6 O P2 Ru -","- C28 H31 Cl F6 O P2 Ru -","- C224 H248 Cl8 F48 O8 P16 Ru8 -","8","1","","Colina-Vegas, Legna; Lima Prado Godinho, Joseane; Coutinho, Thallita; Correa, Rodrigo S.; de Souza, Wanderley; Cola Fernandes Rodrigues, Juliany; Batista, Alzir Azevedo; Navarro, Maribel","Antiparasitic activity and ultrastructural alterations provoked by organoruthenium complexes against Leishmania amazonensis","New Journal of Chemistry","2019","43","3","1431","","10.1039/C8NJ04657C","","x-ray","0.71073","MoKα","","0.0704","0.051","","","0.1307","0.1433","","","","","","1.04","","","","has coordinates","225003","2020-10-21","18:00:00",""
"7058197","12.8506","0.0006","12.7677","0.0006","14.4195","0.0008","90","","90","","90","","2365.8","0.2","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C22 H24 Ag Fe N6 O4 -","- C22 H24 Ag Fe N6 O4 -","- C88 H96 Ag4 Fe4 N24 O16 -","4","0.5","","Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan","Ion-pair complexes of Schiff base Fe(iii) cations and complex anions","New Journal of Chemistry","2019","43","12","4937","","10.1039/C9NJ00192A","","","0.71073","MoKα","","0.021","0.0175","","","0.0429","0.0436","","","","","","1.092","","","","has coordinates","224991","2020-10-21","18:00:00",""
"7059550","20.7267","0.0005","13.0349","0.0011","10.1701","0.0002","90","","90","","90","","2747.7","0.2","150","","150","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C26 H34 N4 O2 Pb Se2 -","- C26 H34 N4 O2 Pb Se2 -","- C104 H136 N16 O8 Pb4 Se8 -","4","0.5","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0316","0.0254","","","0.043","0.0461","","","","","","0.99","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059554","17.9384","0.0005","19.0184","0.0012","10.4156","0.0004","90","","90","","90","","3553.4","0.3","150","","150","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C32 H44 Cl2 N4 O2 Pb Se2 -","- C32 H44 Cl2 N4 O2 Pb Se2 -","- C128 H176 Cl8 N16 O8 Pb4 Se8 -","4","0.5","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0299","0.0238","","","0.0465","0.0489","","","","","","1.039","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7060083","21.4385","0.0004","16.0457","0.0003","17.8853","0.0003","90","","90","","90","","6152.47","0.19","100","0.1","100","0.1","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C15 H14 Cl N O2 Pt S -","- C15 H14 Cl N O2 Pt S -","- C240 H224 Cl16 N16 O32 Pt16 S16 -","16","2","","Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong","High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand","New Journal of Chemistry","2020","44","45","19885","19890","10.1039/D0NJ04753H","","x-ray","1.54184","CuKα","","0.0503","0.0485","","","0.1357","0.1375","","","","","","1.076","","","","has coordinates","259420","2020-12-02","04:48:35",""
"7100514","12.3605","0.0019","14.081","0.002","10.4021","0.0015","90","","90","","90","","1810.4","0.5","223","2","223","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H16 Er2 O20 -","- C12 H16 Er2 O20 -","- C48 H64 Er8 O80 -","4","0.5","","Ian Williams; John A. Cha; Stephen S.-Y. Chui; Andy L.-F. Leung; Herman H. Y. Sung; Samadara Thushari; Yu-Fong Yen.","Microporous chiral metal coordination polymers: hydrothermal synthesis, channel engineering and thermal stability of lanthanide tartrates","Chemical Communications","2005","","","","","10.1039/b508574h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7102377","14.6057","0.0009","28.37","0.002","14.0685","0.0009","90","","90","","90","","5829","1","150.2","","","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C44 H44 Cu4 F24 N12 P4 -","- C44 H44 Cu4 F24 N12 P4 -","- C176 H176 Cu16 F96 N48 P16 -","4","0.5","","Maekawa, Masahiko; Konaka, Hisashi; Minematsu, Toshie; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Bowl-shaped Cu(I) metallamacrocyclic ethylene and carbonyl adducts as structural analogues of organic calixarenes.","Chemical communications (Cambridge, England)","2007","","48","5179","5181","10.1039/b713618h","","","0.7107","MoKα","","","0.0428","","","","0.0964","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102645","26.3143","0.0018","28.029","0.002","20.2248","0.0011","90","","90","","90","","14917.2","1.7","140","2","140","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C78.5 H86 B4 N8 O12 -","- C78.497 H86 B4 N8 O12 -","- C627.976 H688 B32 N64 O96 -","8","1","","N.Christinat; R.Scopelliti; K.Severin","A new method for the synthesis of boronate macrocycles","Chemical communications (Cambridge, England)","2004","","10","1158","1159","10.1039/b402510e","","","0.71073","MoKα","","0.0998","0.0625","","","0.1348","0.1498","","","","","","0.959","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102930","22.1412","0.0009","22.6423","0.0008","8.5427","0.0003","90","","90","","90","","4282.7","0.3","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","(OC-6-54)-Amminedichlorido(2R,2S-imino-kappaN-nis((4- propylamino)-4-oxobutanoato-2-yl)-kappa$2!O,O')platinum(IV)","(OC-6-54)-Amminedichlorido(2R,2S-imino-kappaN-nis[(4-propylamino)- 4-oxobutanoato-2-yl]-kappa^2^O,O')platinum(IV)","","- C14 H26.25 Cl2 N4 O6.13 Pt -","- C14 H26 Cl2 N4 O6.125 Pt -","- C112 H208 Cl16 N32 O49 Pt8 -","8","1","","Reithofer, Michael R; Galanski, Markus; Arion, Vladimir B; Keppler, Bernhard K","Unprecedented twofold intramolecular hydroamination in diam(m)ine-dicarboxylatodichloridoplatinum(IV) complexes - ethane-1,2-diamine vs. ammine ligands.","Chemical communications (Cambridge, England)","2008","","9","1091","1093","10.1039/b715680d","","","0.71073","MoKα","","0.0585","0.0369","","","0.0841","0.0926","","","","","","1.075","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7103107","28.4938","0.0006","17.8978","0.0003","17.8233","0.0003","90","","90","","90","","9089.5","0.3","110","2","110","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C180 H250 Cl8 N8 O13 Zr4 -","- C180 H250 Cl8 N8 O13 Zr4 -","- C360 H500 Cl16 N16 O26 Zr8 -","2","0.25","","Cohen, Ad; Yeori, Adi; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe","Construction of C1-symmetric zirconium complexes by the design of new Salan ligands. Coordination chemistry and preliminary polymerisation catalysis studies.","Chemical communications (Cambridge, England)","2008","","18","2149","2151","10.1039/b719834e","","","0.71073","MoKα","","0.08","0.051","","","0.1136","0.1247","","","","","","1.027","","","","has coordinates,has disorder","180133","2020-10-21","18:00:00",""
"7108179","17.778","0.002","26.576","0.003","12.4884","0.0012","90","","90","","90","","5900.4","1.1","100","2","100","2","","","","","","","","4","I b a 2","I 2 -2c","45","N-(4-amino-2,2,6,6-tetramethylpiperidinyloxyl)-6-N-(2- methylaminopyridine)-7,12-dihydroindolo-(3,2-d)(1)benzazepine-9- carboxamide methanol solvate","N-(4-amino-2,2,6,6-tetramethylpiperidinyloxyl)-6-N-(2-methylaminopyridine)-7,12- dihydroindolo-[3,2-d][1]benzazepine-9-carboxamide methanol solvate","","- C33 H39 N6 O3 -","- C33 H39 N6 O3 -","- C264 H312 N48 O24 -","8","1","","Vladimir B. Arion; Anatolie Dobrov; Simone Goeschl; Michael A. Jakupec; Bernhard K. Keppler; Peter Rapta","Ruthenium(II)- and osmium(II)-arene-based paullones bearing a TEMPO free-radical unit as potential anticancer drugs","Chem.Commun.","2012","48","","8559","","10.1039/c2cc33786j","","","0.71073","MoKα","","0.078","0.0545","","","0.1327","0.1451","","","","","","1.04","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108774","15.2832","0.0009","23.1589","0.0015","13.5599","0.0008","90","","90","","90","","4799.4","0.5","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","\1","","","- C22.66 H17.33 Cl3.33 Cu N4 O0 -","- C22.663 H17.326 Cl3.326 Cu N4 -","- C181.304 H138.608 Cl26.608 Cu8 N32 -","8","1","","Leigh Loots; Leonard J. Barbour","An infinite catenane self-assembled by pi^...^pi interactions","Chem.Commun.","2013","49","","671","","10.1039/c2cc37953h","","x-ray","0.71073","MoKα","","0.0694","0.0485","","","0.1221","0.1359","","","","","","1.053","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7110120","13.9108","0.0008","25.429","0.002","8.8131","0.0005","90","","90","","90","","3117.5","0.4","100","1","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Shyamaprosad Goswami; Abhishek Manna; Sima Paul; Ching Kheng Quah; Hoong-Kun Fun","Rapid and ratiometric detection of hypochlorite with real application in tap water: molecules to low cost devices (TLC sticks)","Chem.Commun.","2013","49","","11656","","10.1039/c3cc47121g","","","0.71073","MoKα","","0.0357","0.0331","","","0.0891","0.092","","","","","","1.035","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110601","16.1973","0.0009","10.3143","0.0006","13.2818","0.0007","90","","90","","90","","2218.9","0.2","143","2","143","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C12 H20 Au4 N8 S4 -","- C12 H20 Au4 N8 S4 -","- C48 H80 Au16 N32 S16 -","4","0.5","","Jones, Peter G.; Friedrichs, Steffi","Deprotonated ethylenethiourea as a ligand in an unusual tetrameric gold(I) complex†","Chemical Communications","1999","","15","1365","","10.1039/a904137k","","","0.71073","MoKα","","0.0463","0.0323","","","0.0753","0.0807","","","","","","1.032","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7111760","18.132","0.003","24.803","0.004","7.2352","0.0013","90","","90","","90","","3253.9","1","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C160 H128 N16 O16 -","8","1","","Ye, Shengqing; Yang, Xiaodi; Wu, Jie","Silver triflate-catalyzed three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, and α,β-unsaturated carbonyl compound","Chemical Communications","2010","46","29","5238","5240","10.1039/c0cc00905a","","","0.71073","MoKα","","0.0495","0.0347","","","0.0829","0.092","","","","","","1.023","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7114725","23.941","0.005","26.974","0.005","12.477","0.002","90","","90","","90","","8057","3","293","2","293","2","","","","","","","Crystals were grown by recrystallization from methanol","7","I b a 2","I 2 -2c","45","","","","- C33 H56 Cl2 N6 Ni2 O5 S2 -","- C33 H56 Cl2 N6 Ni2 O5 S2 -","- C264 H448 Cl16 N48 Ni16 O40 S16 -","8","1","","Kersting, Berthold; Steinfeld, Gunther","The effect of N-methylation on the chemical reactivity of binuclear Ni amine-thiophenolate complexes","Chemical Communications","2001","","15","1376","","10.1039/b103050g","","","0.71073","MoKα","","0.1481","0.0587","","0.1764","0.1289","","","","0.954","0.99","0.99","","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00",""
"7115390","16.678","0.002","25.506","0.002","7.5764","0.0008","90","","90","","90","","3222.9","0.6","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","","Fang-Le Hu; Yin Wei; Min Shi","Phosphine-catalyzed asymmetric [4+1] annulation of activated alpha,beta-unsaturated ketones with Morita-Baylis-Hillman carbonates: enantioselective synthesis of spirooxindoles containing two adjacent quaternary stereocenters","Chem.Commun.","2014","50","","8912","","10.1039/C4cc03479A","","","0.71073","MoKα","","0.0781","0.0513","","","0.1164","0.1322","","","","","","1.036","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7119924","14.5214","0.0006","26.532","0.0011","12.0175","0.0005","90","","90","","90","","4630.1","0.3","296.02","","296.02","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C12 H32 Br4 Mn N2 -","- C12 H32 Br4 Mn N2 -","- C96 H256 Br32 Mn8 N16 -","8","1","","Jiang, Chunli; Zhong, Ni; Luo, Chunhua; Lin, Hechun; Zhang, Yuanyuan; Peng, Hui; Duan, Chun-Gang","(Diisopropylammonium)2MnBr4: A Multifunctional Ferroelectric with Efficient Green-emission and Excellent Gas Sensing Property","Chem. Commun.","2017","","","","","10.1039/C7CC01107E","","","1.54178","CuKα","","0.0541","0.0513","","","0.1413","0.1446","","","","","","1.034","","","","has coordinates","195269","2020-10-21","18:00:00",""
"7120732","24.0135","0.0016","27.685","0.002","41.457","0.003","90","","90","","90","","27561","3","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C110 H115 N11 Zn2 -","- C110 H115 N11 Zn2 -","- C880 H920 N88 Zn16 -","8","1","","Song, JX; zhang, senmiao; Kim, Jun Oh; Li, Yajie; Wen, Bin; Zhou, Mingbo; Liu, Shubin; Aratani, Naoki; Xu, Ling; Kim, Dongho","Meso-to-meso 2,5-Pyrrolylene Bridged Zig-zag Porphyrin Arrays","Chem. Commun.","2017","","","","","10.1039/C7CC06793C","","","0.71073","MoKα","","0.1574","0.0734","","","0.1443","0.1637","","","","","","1.004","","","","has coordinates,has disorder","201570","2020-10-21","18:00:00",""
"7120872","18.82","0.012","25.412","0.017","7.492","0.005","90","","90","","90","","3583","4","150","2","150","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0892","0.0473","","","0.1013","0.1338","","","","","","1.057","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120873","20.53","0.013","25.541","0.014","7.45","0.004","90","","90","","90","","3906","4","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C23 H22 Br N -","- C23 H22 Br N -","- C184 H176 Br8 N8 -","8","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0827","0.0325","","","0.0706","0.0989","","","","","","1.011","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7124451","14.2552","0.0003","22.1202","0.0007","7.4973","0.0002","90","","90","","90","","2364.11","0.11","125","","125","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C16 H12 F2 O -","- C16 H12 F2 O -","- C128 H96 F16 O8 -","8","1","","Fang, Zeguo; Gillatt, Roscoe; Slawin, Alexandra; Cordes, David Bradford; Carpenter-Warren, Cameron L.; O'Hagan, David","Unexpected a,a’-difluoroethers from Ag(I)F and N-bromosuccinimide reactions of dibenzo[a,e]cyclooctatetraene","Chemical Communications","2019","","","","","10.1039/C9CC06426E","","x-ray","1.54184","CuKα","","0.0697","0.0531","","","0.1248","0.1362","","","","","","1.043","","","","has coordinates,has disorder","223388","2020-10-21","18:00:00",""
"7124998","10.1195","0.0006","29.385","0.002","7.4892","0.0004","90","","90","","90","","2227","0.2","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","gb_ER719","","- C9 H20 B N O2 -","- C9 H20 B N O2 -","- C72 H160 B8 N8 O16 -","8","1","","Romero, Erik A.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy","Catalyst-free dehydrocoupling of amines, alcohols, and thiols with pinacol borane and 9-borabicyclononane (9-BBN).","Chemical communications (Cambridge, England)","2016","52","69","10563","10565","10.1039/c6cc06096j","","x-ray","0.71073","MoKα","","0.0893","0.0495","","","0.0905","0.1063","","","","","","1.005","","","","has coordinates","234420","2020-10-21","18:00:00",""
"7125370","21.231","0.008","21.328","0.008","20.064","0.007","90","","90","","90","","9085","6","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C56 H96 N4 O20 P4 S4 Zn4 -","- C56 H96 N4 O20 P4 S4 Zn4 -","- C224 H384 N16 O80 P16 S16 Zn16 -","4","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0741","0.0726","","","0.17","0.171","","","","","","1.092","","","","has coordinates,has disorder","237833","2020-10-21","18:00:00",""
"7125541","34.987","0.011","8.892","0.003","16.046","0.007","90","","90","","90","","4992","3","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C17 H27 Ag N5 O5 S3 -","- C17 H27 Ag N5 O5 S3 -","- C136 H216 Ag8 N40 O40 S24 -","8","1","","Love, Jason B.; Vere, Joanna M.; Glenny, Mark W.; Blake, Alexander J.; Schröder, Martin","Ditopic azathioether macrocycles as hosts for transition metal saltsElectronic supplementary information (ESI) available: full experimental details. See http://www.rsc.org/suppdata/cc/b1/b109486f/","Chemical Communications","2001","","24","2678","","10.1039/b109486f","","","0.71073","MoKα","","0.0981","0.0651","","","0.135","0.165","","","","","","1.13","","","","has coordinates,has disorder","243999","2020-10-21","18:00:00",""
"7126203","38.6912","0.0008","13.8512","0.0003","12.528","0.0003","90","","90","","90","","6714","0.3","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C39 H24 Cl4 N2 O -","- C39 H24 Cl4 N2 O -","- C312 H192 Cl32 N16 O8 -","8","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","x-ray","1.54184","CuKα","","0.0595","0.056","","","0.1584","0.1636","","","","","","1.023","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126667","29.306","0.004","9.4752","0.0009","11.4635","0.0011","90","","90","","90","","3183.2","0.6","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","N-(tert-butyl)-N'-((4-nitrophenyl)sulfonyl)acetimidamide","","- C13 H14.5 N3.5 O4 S -","- C13 H17 N3.5 O4 S -","- C104 H136 N28 O32 S8 -","8","1","","Mishra, Debashish; Borah, Arun Jyoti; Phukan, Pinakinee; Hazarika, Debojit; Phukan, Prodeep","Unprecedented 1,3-tert-butyl migration via the C-N single bond scission of isonitrile: an expedient metal-free route to N-sulfonyl amidines.","Chemical communications (Cambridge, England)","2020","56","60","8408","8411","10.1039/d0cc02430a","","","0.71073","MoKα","","0.0418","0.0368","","","0.106","0.1205","","","","","","0.542","","","","has coordinates","254898","2020-10-21","18:00:00",""
"7127984","23.3099","0.001","16.9037","0.0007","18.5008","0.0008","90","","90","","90","","7289.8","0.5","193","2","193","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C72 H102 Ni P2 -","- C72 H102 Ni P2 -","- C288 H408 Ni4 P8 -","4","0.5","","Martín, M Trinidad; Marín, Mario; Rama, Raquel J.; Álvarez, Eleuterio; Maya, Celia; Molina, Francisco; Nicasio, M. Carmen","Zero-valent ML<sub>2</sub> complexes of group 10 metals supported by terphenyl phosphanes.","Chemical communications (Cambridge, England)","2021","57","25","3083","3086","10.1039/d1cc00676b","","","0.71073","MoKα","","0.0623","0.0518","","","0.1326","0.1384","","","","","","1.052","","","","has coordinates,has disorder","263640","2021-04-05","14:00:26",""
"7128173","17.9842","0.0007","18.0922","0.0007","15.4453","0.0006","90","","90","","90","","5025.5","0.3","100","2","100","2","","","","","","","","8","I b a 2","I 2 -2c","45","","","","- C44 H33 Cl2 F3 Fe2 O9 P2 S2 -","- C44 H33 Cl2 F3 Fe2 O9 P2 S2 -","- C176 H132 Cl8 F12 Fe8 O36 P8 S8 -","4","0.5","","Zhang, Fanjun; Woods, Toby J.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","CO substitution by PPh<sub>3</sub> in Fe<sub>2</sub>S<sub>2</sub>(CO)<sub>6</sub> proceeds via a novel Fe<sub>2</sub>S intermediate.","Chemical communications (Cambridge, England)","2021","57","41","5079","5081","10.1039/d1cc00956g","","","0.71073","MoKα","","0.039","0.0387","","","0.1095","0.1098","","","","","","1.103","","","","has coordinates,has disorder","265849","2021-06-05","17:19:14",""
"7129356","25.802","0.003","25.796","0.003","23.532","0.002","90","","90","","90","","15663","3","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C73 H104 B2 Cl2 N4 Si4 Sn2 -","- C73 H104 B2 Cl2 N4 Si4 Sn2 -","- C584 H832 B16 Cl16 N32 Si32 Sn16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0231","0.0216","","","0.0494","0.0503","","","","","","1.039","","","","has coordinates","271273","2021-12-08","22:57:31",""
"7130719","47.172","0.0008","17.2138","0.0004","11.2397","0.0001","90","","90","","90","","9126.7","0.3","100","","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Sm)","","- C42.5 H38.5 N2 O16 Sm2 -","- C42.5 H38.5 N2 O16 Sm2 -","- C340 H308 N16 O128 Sm16 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4134","Synchrotron","","0.0908","0.0493","","","0.1386","0.1696","","","","","","0.968","","","","has coordinates","277955","2022-09-18","21:52:33",""
"7130720","47.592","0.0011","17.2469","0.0004","11.4052","0.0002","90","","90","","90","","9361.6","0.3","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Gd)","","- C42.5 H38.5 Gd2 N2 O16 -","- C42.5 H38.5 Gd2 N2 O16 -","- C340 H308 Gd16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.71073","MoKα","","0.0438","0.0271","","","0.0867","0.0995","","","","","","0.982","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130721","47.3677","0.0003","17.2952","0.0001","11.3189","0.0001","90","","90","","90","","9272.83","0.11","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Eu)","","- C42.5 H38.5 Eu2 N2 O16 -","- C42.5 H38.5 Eu2 N2 O16 -","- C340 H308 Eu16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4131","synchrotron","","0.0335","0.0255","","","0.0724","0.0759","","","","","","1.08","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130722","17.0356","0.0005","47.4052","0.0016","11.4193","0.0004","90","","90","","90","","9222","0.5","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Y)","","- C42.5 H38.5 N2 O16 Y2 -","- C42.5 H38.5 N2 O16 Y2 -","- C340 H308 N16 O128 Y16 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","x-ray","0.71073","MoKα","","0.1578","0.0671","","","0.1515","0.191","","","","","","1.05","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130723","17.2624","0.0001","47.8338","0.0004","11.4773","0.0001","90","","90","","90","","9477.11","0.13","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Dy)","","- C42.5 H38.5 Dy2 N2 O16 -","- C42.5 H38.5 Dy2 N2 O16 -","- C340 H308 Dy16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","x-ray","0.4176","synchrotron","","0.0933","0.0493","","","0.1128","0.1316","","","","","","1.047","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130724","47.3291","0.0014","16.9949","0.0005","11.4233","0.0003","90","","90","","90","","9188.4","0.5","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Er)","","- C42.5 H38.5 Er2 N2 O16 -","- C42.5 H38.5 Er2 N2 O16 -","- C340 H308 Er16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.71073","MoKα","","0.1486","0.048","","","0.093","0.1259","","","","","","0.98","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130725","17.0266","0.0002","47.1777","0.0005","11.3538","0.0001","90","","90","","90","","9120.23","0.17","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Ho)","","- C42.5 H38.5 Ho2 N2 O16 -","- C42.5 H38.5 Ho2 N2 O16 -","- C340 H308 Ho16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4134","Synchrotron","","0.0987","0.0487","","","0.124","0.1553","","","","","","0.941","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130726","47.3077","0.0004","17.1468","0.0002","11.3497","0.0001","90","","90","","90","","9206.6","0.16","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Tb)","","- C42.5 H38.5 N2 O16 Tb2 -","- C42.5 H38.5 N2 O16 Tb2 -","- C340 H308 N16 O128 Tb16 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4126","synchrotron","","0.0865","0.0433","","","0.0957","0.1118","","","","","","1.037","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130842","10.224","0.0009","43.467","0.004","7.785","0.0007","90","","90","","90","","3459.7","0.5","298","2","298","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C176 H120 N24 O16 -","8","1","","Chen, Zhicai; Zhang, Yu; Wang, Pu; Yang, Jiaxin; Yang, Kun; Li, Jianfeng; Yang, Jie; Li, Yongchun; Dong, Huanli; Guo, Xugang","A Class of Electron-Deficient Units: Fluorenone Imide and Its Electron-Withdrawing Group-Functionalized Derivatives","Chemical Communications","2022","","","","","10.1039/D2CC04922H","","","0.71073","MoKα","","0.0805","0.0578","","","0.1571","0.1783","","","","","","1.161","","","","has coordinates","278524","2022-10-11","21:56:36",""
"7132560","35.4228","0.001","16.8199","0.0004","7.2761","0.0002","90","","90","","90","","4335.2","0.2","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H14 Cd O2 S2 -","- C14 H14 Cd O2 S2 -","- C168 H168 Cd12 O24 S24 -","12","1.5","","Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke","Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers.","Chemical communications (Cambridge, England)","2024","60","10","1277","1280","10.1039/d3cc05689a","","x-ray","1.54184","CuKα","","0.0605","0.0429","","","0.1066","0.1175","","","","","","1.007","","","","has coordinates","289316","2024-02-04","10:59:47",""
"7151912","10.628","0.004","34.498","0.009","7.374","0.003","90","","90","","90","","2703.6","1.7","93","2","93","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C12 H14 B F4 N3 O -","- C12 H14 B F4 N3 O -","- C96 H112 B8 F32 N24 O8 -","8","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.1024","0.0586","","","0.0972","0.1106","","","","","","1.041","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7153392","10.154","0.003","16.592","0.004","23.131","0.006","90","","90","","90","","3897","1.8","100","2","100","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C50 H40 F6 -","- C44 H26 F6 -","- C176 H104 F24 -","4","0.5","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0633","0.0526","","","0.1311","0.1361","","","","","","1.031","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7156662","25.1245","0.0004","17.8586","0.0003","7.11686","0.0001","90","","90","","90","","3193.25","0.09","100","0.4","100","0.4","","","","","","","Marine Fungi","3","I b a 2","I 2 -2c","45","Versispiroketal A","(1'R,2R,7'S)-4,5',7'-trihydroxy-2',6,7'-trimethylspiro[benzo[d][1,3]dioxole-2,8'-bicyclo[3.2.1]octan]-2'-en-4'-one","","- C17 H20 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Salendra, Limbadri; Luo, Xiaowei; Lin, Xiuping; Wang, Junfeng; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong","Versispiroketal A, an unusual tetracyclic bridged spiroketal from the sponge-associated fungus Aspergillus versicolor SCSIO 41013.","Organic & biomolecular chemistry","2019","17","8","2182","2186","10.1039/c9ob00110g","","x-ray","1.54184","CuKα","","0.0363","0.0345","","","0.0897","0.091","","","","","","1.043","","","","has coordinates","225087","2020-10-21","18:00:00",""
"7157586","11.1913","0.0005","36.617","0.002","8.3725","0.0005","90","","90","","90","","3431","0.3","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-14-chloro-11,13-dihydroxy-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C152 H184 Cl8 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.0651","0.0472","","","0.1008","0.114","","","","","","1.07","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7202637","23.029","0.004","25.201","0.005","12.087","0.003","90","","90","","90","","7015","3","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C35 H54 N2 O4 -","- C35 H54 N2 O4 -","- C280 H432 N16 O32 -","8","1","","Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina","Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides","CrystEngComm","2007","9","9","746","","10.1039/b617605d","","","0.71073","MoKα","","0.087","0.0463","","","0.0854","0.0979","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204460","9.2463","0.0018","33.461","0.007","7.2285","0.0014","90","","90","","90","","2236.4","0.8","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Huck, Deborah M.; Loc Nguyen, H.; Coles, Simon J.; Hursthouse, Michael B.; Donnio, Bertrand; Bruce, Duncan W.","Mesomorphic silver(i) complexes of 4-alkyloxy-2???-stilbazoles and 4-alkyloxy-3???-stilbazoles. Crystal and molecular structure of 4-methoxy-2???-stilbazoleElectronic supplementary information (ESI) available: bond lengths and angles for 4-methoxy-2???-stilbazole. See http://www.rsc.org/suppdata/jm/b2/b204820e/","Journal of Materials Chemistry","2002","12","10","2879","","10.1039/b204820e","","","0.71073","MoKα","","0.0722","0.0576","","","0.1372","0.1471","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206226","11.5523","0.0012","23.163","0.002","4.9721","0.0003","90","","90","","90","","1330.5","0.2","103","2","103","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C5 H5 Cl2 N3 -","- C5 H5 Cl2 N3 -","- C40 H40 Cl16 N24 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0232","0.0218","","","0.0578","0.0591","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206320","30.125","0.011","9.449","0.003","12.692","0.005","90","","90","","90","","3613","2","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H26 Eu N6 S3 Sb -","- C8 H26 Eu N6 S3 Sb -","- C64 H208 Eu8 N48 S24 Sb8 -","8","1","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.0344","0.0313","","","0.0788","0.0812","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206974","28.262","0.005","9.1619","0.0018","20.511","0.004","90","","90","","90","","5311","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C28 H25 N3 Ni O5 -","- C28 H25 N3 Ni O5 -","- C224 H200 N24 Ni8 O40 -","8","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1216","0.0674","","","0.1716","0.2049","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7208729","11.4752","0.0003","22.951","0.0005","22.8593","0.0005","90","","90","","90","","6020.4","0.2","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C64 H64 N10 Ni O10 -","- C64 H60 N10 Ni O10 -","- C256 H240 N40 Ni4 O40 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0582","0.0434","","","0.1067","0.1114","","","","","","0.996","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7209483","6.184","","8.458","","12.609","","90","","90","","90","","659.505","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Cu Lu (B5 O10)","","- B5 Cu Lu O10 -","- B5 Cu Lu O10 -","- B20 Cu4 Lu4 O40 -","4","0.5","","Schaefer, J.; Bluhm, K.","Synthese und Kristallstruktur von Verbindungen des Typs Cu M (B5 O10) (M= Tm3+, Lu3+)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","762","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209484","6.22","","8.447","","12.66","","90","","90","","90","","665.161","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Cu Tm (B5 O10)","","- B5 Cu O10 Tm -","- B5 Cu O10 Tm -","- B20 Cu4 O40 Tm4 -","4","0.5","","Schaefer, J.; Bluhm, K.","Synthese und Kristallstruktur von Verbindungen des Typs Cu M (B5 O10) (M= Tm3+, Lu3+)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","762","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211631","33.993","0.004","13.6318","0.0014","15.4608","0.0016","90","","90","","90","","7164.3","1.3","291","2","291","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C66 H68 Co3 N12 O22 -","- C66 H68 Co3 N12 O22 -","- C264 H272 Co12 N48 O88 -","4","0.5","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0699","0.056","","","0.1134","0.1159","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215224","15.383","0.0019","20.014","0.003","7.6027","0.0011","90","","90","","90","","2340.7","0.6","150","2","150","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0662","0.0468","","","0.099","0.1084","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7216348","18.151","0.003","26.476","0.004","5.9595","0.001","90","","90","","90","","2863.9","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H8 Ag3 O6 P -","- C14 H8 Ag3 O6 P -","- C112 H64 Ag24 O48 P8 -","8","1","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0195","0.019","","","0.0534","0.0538","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217216","17.06","0.0014","29.727","0.003","7.9426","0.0006","90","","90","","90","","4028","0.6","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.1139","0.0477","","","0.1091","0.169","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7218586","22.4615","0.0003","22.8701","0.0004","24.3408","0.0004","90","","90","","90","","12503.8","0.3","293","2","293","2","","","","","","","synthesis as described","9","I b a 2","I 2 -2c","45","","","","- C67 H55 Cl N3 Ni O3 P3 Ru S -","- C67 H53 Cl N3 Ni O3 P3 Ru S -","- C536 H424 Cl8 N24 Ni8 O24 P24 Ru8 S8 -","8","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.","Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells","RSC Adv.","2014","4","94","51850","","10.1039/C4RA08492F","","x-ray","0.71073","MoKα","","0.1911","0.083","","","0.1427","0.172","","","","","","0.988","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7226544","12.6392","0.0014","17.209","0.003","6.7442","0.0008","90","","90","","90","","1466.9","0.3","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","[Mn(4-Apha)2]","","- C14 H14 Mn N4 O4 -","- C14 H14 Mn N4 O4 -","- C56 H56 Mn4 N16 O16 -","4","0.5","","Jiang, Peng; Peng, Fen; Chen, Yanmei","Temperature-induced single-crystal-to-single-crystal transformation of a binuclear Mn(II) complex into a 1D chain polymer","RSC Adv.","2016","","","","","10.1039/C6RA14364D","","","0.71073","MoKα","","0.034","0.0268","","","0.0608","0.064","","","","","","0.996","","","","has coordinates","186559","2020-10-21","18:00:00",""
"7230725","17.8602","0.0006","17.9174","0.0006","11.0199","0.0004","90","","90","","90","","3526.5","0.2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H14 Cl2 I2 N2 -","- C16 H14 Cl2 I2 N2 -","- C128 H112 Cl16 I16 N16 -","8","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.71073","MoKα","","0.0652","0.0646","","","0.1603","0.1611","","","","","","1.763","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7232089","17.3065","0.0005","17.6303","0.0004","8.0817","0.0002","90","","90","","90","","2465.88","0.11","110","2","110","2","","","","","","","","3","I b a 2","I 2 -2c","45","","8-Benzoyl-naphth-1-ol","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0351","0.0331","","","0.0782","0.0791","","","","","","1.056","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232792","15.8947","0.0003","21.2266","0.0004","8.0859","0.0001","90","","90","","90","","2728.11","0.08","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C120 H88 I8 N16 O8 -","8","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0136","0.0134","","","0.0332","0.0333","","","","","","1.081","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7233820","20.076","0.008","49.223","0.019","8.695","0.003","90","","90","","90","","8592","6","","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C43 H56 N2 O5 -","- C46 N3 O6 -","- C368 N24 O48 -","8","1","","Rekha Narayan; Prashant Kumar; K. S. Narayan; S. K. Asha","Supramolecular P4VP-pentadecylphenol naphthalenebisimide comb-polymer: mesoscopic organization and charge transport properties","Journal of Materials Chemistry C","2014","2","","6511","6519","10.1039/C4TC00611A","","x-ray","0.71069","MoKα","","","0.12","","","","","","","","","","1.526","","","","has coordinates","218250","2020-10-21","18:00:00",""
"7233834","28.211","0.001","8.6741","0.0007","12.6299","0.0006","90","","90","","90","","3090.6","0.3","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C18 H8 F6 N2 O2 -","- C18 H8 F6 N2 O2 -","- C144 H64 F48 N16 O16 -","8","1","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.84344","","","0.0396","0.0392","","","0.1078","0.1084","","","","","","1.068","","","","has coordinates","218264","2020-10-21","18:00:00",""
"7234458","7.4769","0.0008","18.5766","0.0019","6.759","0.0007","90","","90","","90","","938.79","0.17","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Ag As8 Ba4 Ga5 -","- Ag As8 Ba4 Ga5 -","- Ag2 As16 Ba8 Ga10 -","2","0.25","","Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu","Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential","Journal of Materials Chemistry C","2015","3","","9695","9700","10.1039/C5TC01887K","","","0.71073","MoKα","","0.0213","0.0207","","","0.0496","0.0499","","","","","","1.172","","","","has coordinates","219156","2020-10-21","18:00:00",""
"7234459","7.294","0.009","18.03","0.02","6.557","0.008","90","","90","","90","","862.3","1.8","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Ag Ba4 Ga5 P8 -","- Ag Ba4 Ga5 P8 -","- Ag2 Ba8 Ga10 P16 -","2","0.25","","Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu","Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential","Journal of Materials Chemistry C","2015","3","","9695","9700","10.1039/C5TC01887K","","","0.71073","MoKα","","0.0488","0.045","","","0.1177","0.1211","","","","","","1.122","","","","has coordinates","219156","2020-10-21","18:00:00",""
"7234612","21.678","0.002","11.7948","0.0013","17.695","0.003","90","","90","","90","","4524.4","1","298","2","298","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H31 N9 -","- C23 H31 N9 -","- C184 H248 N72 -","8","1","","Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja","Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions","Green Chemistry","2019","","","","","10.1039/C9GC02647A","","","0.71073","MoKα","","0.0604","0.0469","","","0.1038","0.1129","","","","","","1.098","","","","has coordinates,has disorder","219349","2020-10-21","18:00:00",""
"7236893","15.856","0.004","28.435","0.007","10.3986","0.0019","90","","90","","90","","4688.4","1.9","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","1,1,2,2-tetrakis(4-((trimethylsilyl)ethynyl)phenyl)ethene","","- C46 H52 Si4 -","- C46 H52 Si4 -","- C184 H208 Si16 -","4","0.5","","Ramachandran, Elumalai; Dhamodharan, Raghavachari","Tetrakis(trialkylsilylethynylphenyl)ethenes: mechanofluorochromism arising from steric considerations with an unusual crystal structure","J. Mater. Chem. C","2017","5","40","10469","","10.1039/C7TC03211K","","","0.71073","MoKα","","0.1168","0.0493","","","0.0939","0.1161","","","","","","0.99","","","","has coordinates","236610","2020-10-21","18:00:00",""
"7237928","14.7314","0.0014","24.585","0.002","8.0451","0.0008","90","","90","","90","","2913.7","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","2-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0631","0.0411","","","0.0987","0.1137","","","","","","0.968","","","","has coordinates","238757","2020-10-21","18:00:00",""
"7239283","12.121","0.002","17.543","0.004","6.9785","0.0014","90","","90","","90","","1483.9","0.5","223","2","223","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H14 Cd N4 O4 -","- C14 H14 Cd N4 O4 -","- C56 H56 Cd4 N16 O16 -","4","0.5","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.0233","0.019","","","0.0455","0.0488","","","","","","1.034","","","","has coordinates","244635","2020-10-21","18:00:00",""
"7239338","16.903","0.008","28.697","0.013","8.005","0.004","90","","90","","90","","3883","3","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C14 H14 I2 O4 S2 Si -","- C14 H14 I2 O4 S2 Si -","- C112 H112 I16 O32 S16 Si8 -","8","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0854","0.0741","","","0.1931","0.2056","","","","","","1.05","","","","has coordinates","244660","2020-10-21","18:00:00",""
"7240261","9.8331","0.0014","20.335","0.003","9.8331","0.0014","90","","90","","90","","1966.2","0.5","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C11 H11 F0.5 N2 -","- C11 H11 F0.5 N2 -","- C88 H88 F4 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.0596","0.0544","","","0.125","0.1283","","","","","","1.197","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7241688","22.059","0.002","22.2927","0.0012","7.6696","0.0003","90","","90","","90","","3771.6","0.4","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","","","- C26 H24 -","- C26 H24 -","- C208 H192 -","8","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0473","0.0386","","","0.0952","0.1011","","","","","","1.04","","","","has coordinates","259592","2020-12-06","08:45:01",""
"7242715","18.0128","0.001","27.5447","0.0016","7.2185","0.0003","90","","90","","90","","3581.5","0.3","200","","200","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C52 H36 N2 -","- C52 H36 N2 -","- C208 H144 N8 -","4","0.5","","Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke","Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00892G","","","0.71073","MoKα","","0.0906","0.0637","","","0.1495","0.1668","","","","","","1.039","","","","has coordinates","264511","2021-04-25","03:43:32",""
"7247761","28.8781","0.0009","13.8936","0.0004","7.7325","0.0003","90","","90","","90","","3102.44","0.18","160","1","160","1","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C15 H10 Cl F2 N3 O S -","- C15 H10 Cl F2 N3 O S -","- C120 H80 Cl8 F16 N24 O8 S8 -","8","1","","Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah","A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking","RSC Advances","2023","13","48","34064","34077","10.1039/D3RA07169C","","x-ray","1.54184","CuKα","","0.0334","0.027","","","0.0581","0.0607","","","","","","1.061","","","","has coordinates","287718","2023-11-22","02:13:06",""
"7701935","31.252","0.005","11.1332","0.0014","6.9522","0.0007","90","","90","","90","","2418.9","0.5","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C10 H8 Br O S2 Tl -","- C10 H8 Br O S2 Tl -","- C80 H64 Br8 O8 S16 Tl8 -","8","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.1257","0.069","","","0.1265","0.1486","","","","","","0.953","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701936","10.968","0.0007","27.114","0.002","7.1755","0.0005","90","","90","","90","","2133.9","0.3","295","2","295","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C9 H8 N O S2 Tl -","- C9 H8 N O S2 Tl -","- C72 H64 N8 O8 S16 Tl8 -","8","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0479","0.0352","","","0.0758","0.0806","","","","","","1.088","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7705445","16.515","0.012","16.827","0.013","25.6","0.03","90","","90","","90","","7114","11","296","2","296","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C36 H43 Mo12 N4 O46 P Zn4 -","- C36 H36 Mo12 N4 O44 P Zn4 -","- C144 H144 Mo48 N16 O176 P4 Zn16 -","4","0.5","","Liu, Xiao-Mei; Meng, Fan-Qiong; Cheng, Wei-Wei; Cao, Jia-Peng; Wang, Ji-Lei; Zang, Ting-Ting; Ping, Qing-Dong; Xie, Hui; Xu, Yan","Two new isolated Zn-ε-Keggin clusters modified by conjugated organic ligands with decent electrocatalytic and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14251","14257","10.1039/d0dt02897e","","","0.71073","MoKα","","0.0625","0.0545","","","0.1389","0.1458","","","","","","1.038","","","","has coordinates","258857","2020-11-06","12:19:54",""
"7707707","13.86852","0.00019","13.7985","0.0002","7.47677","0.00009","90","","90","","90","","1430.79","0.03","295","","295","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- H8 Na8 O36 P8 V4 -","- H8 Na8 O36 P8 V4 -","- H16 Na16 O72 P16 V8 -","2","0.25","","Lepoittevin, C.; Leynaud, O.; Neveu, A.; Barbier, T.; Gnanavel, M.; Gopal, V.; Pralong, V.","Na<sub>2</sub>VO(HPO<sub>4</sub>)<sub>2</sub>: an original phase solved by continuous 3D electron diffraction and powder X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9725","9734","10.1039/d1dt01548f","powder diffraction","","","CuKα","","","","","","","","","28.7738","4.46","","","","","","","has coordinates","268707","2021-09-06","10:53:15",""
"7708007","25.4875","0.0006","14.8482","0.0003","8.4815","0.0002","90","","90","","90","","3209.77","0.13","100","0.1","100","0.1","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C17 H22 Cu N2 O4 -","- C17 H22 Cu N2 O4 -","- C136 H176 Cu8 N16 O32 -","8","1","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54178","CuKα","","0.0497","0.0476","","","0.1232","0.1246","","","","","","1.106","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7709178","21.415","0.002","39.087","0.004","16.2869","0.0017","90","","90","","90","","13633","2","120","2","120","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C66 H92 Cl Ga2 N4 O P -","- C66 H91 Cl Ga2 N4 O P -","- C528 H728 Cl8 Ga16 N32 O8 P8 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","0.71073","MoKα","","0.04","0.0316","","","0.0878","0.092","","","","","","1.036","","","","has coordinates","272693","2022-02-04","19:46:56",""
"7709806","23.392","0.009","37.04","0.02","24.939","0.009","90","","90","","90","","21608","16","173","2","173","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C78 H96 Cu3 F30 N12 Sb4 Si7 -","- C78 H96 Cu3 F30 N12 Sb4 Si7 -","- C624 H768 Cu24 F240 N96 Sb32 Si56 -","8","1","","Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT00500J","","","0.71073","MoKα","","0.2005","0.0927","","","0.2254","0.2975","","","","","","1.048","","","","has coordinates,has disorder","273906","2022-03-22","23:55:27",""
"7712036","17.5572","0.0005","18.9503","0.0006","21.1019","0.0007","90","","90","","90","","7020.9","0.4","293","0.2","293","0.2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C66 H34 Dy2 F18 N4 O12 -","- C66 H34 Dy2 F18 N4 O12 -","- C264 H136 Dy8 F72 N16 O48 -","4","0.5","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.0589","0.0485","","","0.1284","0.1383","","","","","","1.025","","","","has coordinates","283254","2023-05-05","01:49:51",""
"7712985","25.418","0.013","32.433","0.016","6.875","0.004","90","","90","","90","","5668","5","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C20 H16 Co2 N8 O4 -","- C20 H16 Co2 N8 O4 -","- C160 H128 Co16 N64 O32 -","8","1","","Lin, Yilong; Zeng , Panyu; Wang , Die; Li, Tian-Tian; Wu, Liang-Hua; Zheng, Sheng-Run","A mixed-ligand Co(II) MOF synthesized from a single organic ligand to capture iodine and methyl iodide vapour","Dalton Transactions","2023","","","","","10.1039/D3DT01104F","","","0.71073","MoKα","","0.0837","0.0504","","","0.1054","0.1178","","","","","","0.938","","","","has coordinates","283633","2023-05-09","22:48:57",""
"7716035","35.019","0.007","45.42","0.009","46.291","0.009","90","","90","","90","","73629","3","223","2","223","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C566 H728 Cl24 Cu12 N56 O96 Si24 -","- C559 H720 Cl24 Cu12 N56 O96 Si24 -","- C2236 H2880 Cl96 Cu48 N224 O384 Si96 -","4","0.5","","An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang","Coordinating nature of M6L12 double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions","Dalton Transactions","2024","","","","","10.1039/D4DT00902A","","","0.7","Synchrotron","","0.1018","0.0577","","","0.1528","0.1731","","","","","","0.912","","","","has coordinates","291850","2024-05-14","22:58:53",""
"8100995","17.016","0.005","19.164","0.005","9.722","0.005","90","0.005","90","0.005","90","0.005","3170","2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C7 H9 B O2 -","- C7 H9 B O2 -","- C112 H144 B16 O32 -","16","2","","Zheng, Chong; Spielvogel, Bernard F.; Hosmane, Narayan S.","Crystal structure of 4-methylphenylboronic acid, C~7~H~9~BO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101945","21.802","0.004","8.821","0.002","12.676","0.004","90","","90","","90","","2437.8","1","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","4-ethyl-5-[{(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl}methyl]-4H-1,2,4-triazole-3(2H)-thione","","- C8 H12 N6 S2 -","- C8 H12 N6 S2 -","- C64 H96 N48 S16 -","8","1","","Mazur, L.; Koziol, A. E.; Maliszewska-Guz, A.; Wujec, M.; Pitucha, M.; Dobosz, M.","Crystal structure of 4-ethyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl] methyl}-4H-1,2,4-triazole-3(2H)-thione, C~8~H~12~N~6~S~2~, the orthorhombic modification","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","151","152","","","","1.54178","CuKα","","0.0727","0.0389","","","0.0872","0.104","","","","","","1.077","","","","has coordinates","211402","2020-10-21","18:00:00",""
"8102581","20.844","0.004","27.28","0.006","12.031","0.002","90","","90","","90","","6841","2","113","2","113","2","","","","","","","","5","I b a 2","I 2 -2c","45","","3'''-(2,6-Dichlorophenyl)-1'-methyl-4',4'''-bis-(4-chlorophenyl)-4''',5'''- dihydroindole-3-spiro-2'-pyrrolidine-3'-spiro-1''-cyclopentane-3''-spiro- 5'''-[1,2]oxazole-2(3H),2''-dione hemihydrate","","- C36 H28 Cl4 N3 O3.5 -","- C36 H27 Cl4 N3 O3.52 -","- C288 H216 Cl32 N24 O28.16 -","8","1","","Xun Li; Xiaofang Li","Crystal structure of 3'''-(2,6-dichlorophenyl)-1'-methyl-4',4'''-bis(4-chlorophenyl)-4''',5'''-dihydroindole-3-spiro-2'-pyrrolidine-3'-spiro-1'- cyclopentane-3''-spiro-5'''-[1,2]oxazole-2(3H),2''-dione hemihydrate, C36H27Cl4N3O3 · 0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","34","","","","","0.71073","MoKα","","0.0789","0.0733","","","0.2061","0.2118","","","","","","1.138","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"9004990","8.408","","9.8699","","16.7083","","90","","90","","90","","1386.56","","","","","","","","","","","","Khibina peralkaline complex, Kola alkaline province, Russia","5","I b a 2","I 2 -2c","45","","","Stronalsite","- Al4 Na2 O16 Si4 Sr -","- Al4 Na2 O16 Si4 Sr -","- Al16 Na8 O64 Si16 Sr4 -","4","0.5","","Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.","The crystal structure of stronalsite and a redetermination of the structure of banalsite","The Canadian Mineralogist","2006","44","","533","546","10.2113/gscanmin.44.2.533","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004991","8.54","","10.0127","","16.7897","","90","","90","","90","","1435.66","","","","","","","","","","","","Benallt mine, Wales","5","I b a 2","I 2 -2c","45","","","Banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.5","","Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.","The crystal structure of stronalsite and a redetermination of the structure of banalsite","The Canadian Mineralogist","2006","44","","533","546","10.2113/gscanmin.44.2.533","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004992","8.5068","","9.9811","","16.7485","","90","","90","","90","","1422.07","","","","","","","","","","","","Langban, Sweden","5","I b a 2","I 2 -2c","45","","","Banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.5","","Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.","The crystal structure of stronalsite and a redetermination of the structure of banalsite","The Canadian Mineralogist","2006","44","","533","546","10.2113/gscanmin.44.2.533","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""