# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:27:20+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R -3' 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
"1517916","31.114","0.003","31.114","0.003","5.4546","0.0005","90","","90","","120","","4573","0.8","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C162 H234 N54 O18 -","18","","","Guo, Jiawei; Yu, Binxun; Wang, Ya-Nan; Duan, Dongyu; Ren, Li-Li; Gao, Ziwei; Gou, Jing","Conversion of 2-Furylcarbinols with Alkyl or Aryl Azides to Highly Functionalized 1,2,3-Triazoles via Cascade Formal [3 + 2] Cycloaddition/Ring-Opening.","Organic letters","2014","16","19","5088","5091","10.1021/ol502437y","","","0.71073","MoKα","","0.1174","0.0667","","","0.167","0.1962","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517951","30.5162","0.0006","30.5162","0.0006","71.022","0.002","90","","90","","120","","57278","2","298","","298","","","","","","","","","6","R -3","-R 3","148","","","","- C252 H276 Co4 F36 N48 P6 -","- C252 H276 Co4 F36 N48 P6 -","- C1512 H1656 Co24 F216 N288 P36 -","6","","","Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J.","Non-equilibrium cobalt(iii) “click” capsules","Chem. Sci.","2015","6","1","756","","10.1039/C4SC03036B","","x-ray","0.6889","","","0.1352","0.1218","","","0.3268","0.3455","","","","","","1.553","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518729","30.1754","0.0004","30.1754","0.0004","27.5094","0.0004","90","","90","","120","","21692.9","0.5","120","1","120","1","","","","","","","","7","R -3","-R 3","148","","","","- C54 H52 Cl Ir N4 O2 P2 -","- C47 H44 Cl Ir N4 O2 P2 -","- C846 H792 Cl18 Ir18 N72 O36 P36 -","18","","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0509","0.0361","","","0.0796","0.0839","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1542605","28.1638","0.0009","28.1638","0.0009","8.1635","0.0003","90","","90","","120","","5607.8","0.3","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0544","0.0309","","","0.0491","0.0532","","","","","","0.611","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542878","18.7962","0.0011","18.7962","0.0011","36.666","0.002","90","","90","","120","","11218.5","1.1","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","","- C39 H90 Bi3 I12 N9 -","- C39 H90 Bi3 I12 N9 -","- C234 H540 Bi18 I72 N54 -","6","","PK4002","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","IUCrData","2016","1","3","x160391","","10.1107/S2414314616003916","","","0.71073","MoKα","","0.0417","0.0236","","","0.0383","0.0417","","","","","","1.052","","","","has coordinates,has Fobs","178205","2020-10-21","18:00:00",""
"1544157","17.771","0.002","17.771","0.002","27.217","0.002","90","","90","","120","","7443.8","1.3","170","2","170.15","","","","","","","","","4","R -3","-R 3","148","","","","- C54 H126 Au25 S18 -","- C54 H126 Au25 S18 -","- C162 H378 Au75 S54 -","3","","","Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano; Gascon, Jose; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio","A Magnetic Look into the Protecting Layer of Au25Clusters","Chem. Sci.","2016","","","","","10.1039/C6SC03691K","","x-ray","0.71073","MoKα","","0.0871","0.0474","","","0.0798","0.0935","","","","","","0.986","","","","has coordinates,has disorder","186646","2020-10-21","18:00:00",""
"1544716","5.08854","0.00007","5.08854","0.00007","14.0924","0.0003","90","","90","","120","","316.011","0.009","","","","","","","","","","","","3","R -3","-R 3","148","FeTiO3","","ilmenite","- Fe O3 Ti -","- Fe1.03 O3 Ti0.96 -","- Fe6.18 O18 Ti5.76 -","6","","","Ohgaki, K.; Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H.","Electron-density distribution in ilmenite-type crystals, IV. Iron (II) titanium (IV) trioxide, FeTiO3","Mineralogical Journal","1989","14","","179","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","188871","2020-10-21","18:00:00",""
"1544718","5.0394","0.0009","5.0394","0.0009","13.811","0.003","90","","90","","120","","303.75","0.1","","","","","","","","","","","","3","R -3","-R 3","148","NiTiO3","","nickel titanium trioxide","- Ni O3 Ti -","- Ni O3 Ti0.99 -","- Ni6 O18 Ti5.94 -","6","","","Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H.","Electron-density distribution in ilmenite-type crystals III. Nickel (II) titanium (IV) trioxide, NiTiO3","Mineralogical Journal","1988","14","","133","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","188873","2020-10-21","18:00:00",""
"1544900","12.415","0.003","12.415","0.003","8.215","0.001","90","","90","","120","","1096.6","0.4","","","","","","","","","","","","3","R -3","-R 3","148","Be2SiO4","","phenacite at 2.2 GPa","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","","","Kogure, T.; Takeuchi, Y.","Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 2.2 GPa","Mineralogical Journal","1986","13","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","189430","2020-10-21","18:00:00",""
"1544901","12.391","0.003","12.391","0.003","8.2","0.001","90","","90","","120","","1090.3","0.4","","","","","","","","","","","","3","R -3","-R 3","148","Be2SiO4","","phenacite at 3.2 GPa","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","","","Kogure, T.; Takeuchi, Y.","Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 3.2 GPa","Mineralogical Journal","1986","13","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","189431","2020-10-21","18:00:00",""
"1545122","8.032","","8.032","","21.36","","90","","90","","120","","1193.38","","","","","","","","","","","","","3","R -3","-R 3","148","Al2(SO4)3","","","- Al2 O12 S3 -","- Al2 O12 S3 -","- Al12 O72 S18 -","6","","","Kato, E.; Daimon, K.","Crystal structure of anhydrous aluminum sulfate","Yogyo-Kyokai-Shi","1979","87","","590","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","190831","2020-10-21","18:00:00",""
"1545763","25.8262","0.0016","25.8262","0.0016","6.8315","0.0004","90","","90","","120","","3946.1","0.4","90","2","90","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)0.58","","","- C8.58 H2 Co2 O6.58 -","- C8.58 H2 Co2 O6.58 -","- C77.22 H18 Co18 O59.22 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0317","0.0274","","","0.0696","0.0718","","","","","","1.07","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545764","25.81","0.008","25.81","0.008","6.901","0.002","90","","90","","120","","3981","2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(N2)3.78","","","- C8 H2 Co2 N7.55 O6 -","- C8 H2 Co2 N7.56 O6 -","- C72 H18 Co18 N68.04 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6199","synchrotron","","0.0805","0.0632","","","0.1233","0.1328","","","","","","1.19","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545765","25.892","0.004","25.892","0.004","6.8482","0.0009","90","","90","","120","","3975.9","1","296.15","","296.15","","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)","","","- C8 H2 Co2 O6 -","- C8 H2 Co2 O6 -","- C72 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0564","0.0485","","","0.137","0.1453","","","","","","1.116","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545766","25.7348","0.0008","25.7348","0.0008","6.8385","0.0002","90","","90","","120","","3922.2","0.2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(P4)1.32","","","- C8 H2 Co2 O6 P5.28 -","- C8 H2 Co2 O6 P5.288 -","- C72 H18 Co18 O54 P47.592 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0902","0.0822","","","0.2465","0.253","","","","","","1.198","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545767","25.86","0.004","25.86","0.004","6.8678","0.001","90","","90","","120","","3977.5","1","90","2","90","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)Ar2","","","- C8 H2 Ar2 Co2 O6 -","- C8 H2 Ar1.998 Co2 O6 -","- C72 H18 Ar17.982 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6525","synchrotron","","0.0637","0.0513","","","0.1272","0.1358","","","","","","1.072","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545768","25.7599","0.0009","25.7599","0.0009","6.8766","0.0003","90","","90","","120","","3951.8","0.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(O2)5.94","","","- C8 H2 Co2 O17.92 -","- C8 H2 Co2 O17.88 -","- C72 H18 Co18 O160.92 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.086","0.0481","","","0.1045","0.1203","","","","","","1.015","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545769","25.866","0.005","25.866","0.005","6.8457","0.0012","90","","90","","120","","3966.5","1.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CH4)2","","","- C10 H10 Co2 O6 -","- C10 H2 Co2 O6 -","- C90 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0558","0.0477","","","0.1205","0.1271","","","","","","1.064","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545770","25.853","0.003","25.853","0.003","6.8494","0.0007","90","","90","","120","","3964.7","0.8","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)1.19","","","- C9.19 H2 Co2 O7.19 -","- C9.18 H2 Co2 O7.18 -","- C82.62 H18 Co18 O64.62 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0491","0.0389","","","0.0978","0.1032","","","","","","1.051","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1546351","20.0377","0.0005","20.0377","0.0005","24.6135","0.0009","90","","90","","120","","8558.5","0.4","179.9","0.4","179.9","0.4","","","","","","","","6","R -3","-R 3","148","","","","- C43 H5 F20 N4 Ni O2 -","- C43 H5 F20 N4 Ni O2 -","- C387 H45 F180 N36 Ni9 O18 -","9","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0756","0.0634","","","0.1342","0.1418","","","","","","1.161","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546852","30.6123","0.001","30.6123","0.001","29.4707","0.0012","90","","90","","120","","23917.3","1.5","108","11","108","11","","","","","","","","6","R -3","-R 3","148","","","","- C32 H20 Cl2 Cu N8 O10 -","- C32 H20 Cl2 Cu N8 O10 -","- C576 H360 Cl36 Cu18 N144 O180 -","18","","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1369","0.1114","","","0.3184","0.3363","","","","","","1.095","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1547495","29.579","0.004","29.579","0.004","32.113","0.006","90","","90","","120","","24332","7","173.15","","173.15","","","","","","","","","5","R -3","-R 3","148","","","","- C56 H48 Cl2 N2 Ni -","- C56 H48 Cl2 N2 Ni -","- C1008 H864 Cl36 N36 Ni18 -","18","","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.1011","0.0868","","","0.2477","0.2621","","","","","","1.099","","","","has coordinates","201549","2020-10-21","18:00:00",""
"1547804","36.5943","0.0012","36.5943","0.0012","6.7186","0.0002","90","","90","","120","","7791.8","0.4","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Zn2(pc-dobpdc)(DMA)2","","","- C22 H24 N2 O8 Zn2 -","- C22 H24 N2 O8 Zn2 -","- C198 H216 N18 O72 Zn18 -","9","","","Milner, Phillip John; Martell, Jeffrey Daniel; Siegelman, Rebecca; Gygi, David; Weston, Simon; Long, Jeffrey R.","Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc)","Chem. Sci.","2017","","","","","10.1039/C7SC04266C","","","0.7749","synchrotron","","0.0776","0.0595","","","0.1618","0.1712","","","","","","1.066","","","","has coordinates","202365","2020-10-21","18:00:00",""
"1548413","50.0474","0.0006","50.0474","0.0006","32.7348","0.0004","90","","90","","120","","71007.4","1.5","150","2","150.15","","","","","","","","","6","R -3","-R 3","148","","","","- C109 H96 Ag16 F32 N16 O45 -","- C109 H96 Ag16 F32 N16 O45 -","- C1962 H1728 Ag288 F576 N288 O810 -","18","","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","x-ray","0.71073","MoKα","","0.0682","0.0565","","","0.1114","0.1158","","","","","","1.124","","","","has coordinates","204149","2020-10-21","18:00:00",""
"1549479","28.6364","0.0008","28.6364","0.0008","29.7717","0.0008","90","","90","","120","","21143.2","1","293","2","293.15","","","","","","","","","7","R -3","-R 3","148","","","","- C50 H33 Cl2 F7 N O Sb -","- C50 H33 Cl2 F7 N O Sb -","- C900 H594 Cl36 F126 N18 O18 Sb18 -","18","","","Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong","Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration","Chemical Science","2018","","","","","10.1039/C8SC01963K","","","0.71073","MoKα","","0.1073","0.0613","","","0.1712","0.1921","","","","","","1.044","","","","has coordinates","208010","2020-10-21","18:00:00",""
"1549637","17.2923","0.0011","17.2923","0.0011","13.9863","0.001","90","","90","","120","","3621.9","0.4","103","2","103","2","","","","","","","","5","R -3","-R 3","148","BP151","","","- C30 H21.45 Cl O0.22 Si -","- C30 H21 Cl O0.225 Si -","- C180 H126 Cl6 O1.35 Si6 -","6","","","Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L.","Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster","Chemical Science","2018","","","","","10.1039/C8SC01889H","","","0.71073","MoKα","","0.0704","0.0481","","","0.1166","0.1288","","","","","","1.026","","","","has coordinates","208728","2020-10-21","18:00:00",""
"1549698","50.519","0.007","50.519","0.007","13.4259","0.0019","90","","90","","120","","29675","7","93","2","93","2","","","","","","","","4","R -3","-R 3","148","1,14-dianilino-5,10-diphenyltripyrrin","1,14-dianilino-5,10-diphenyltripyrrin","","- C79.98 H59 Cl3 N10 -","- C79.98 H59 Cl3 N10 -","- C1439.64 H1062 Cl54 N180 -","18","","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.1213","0.0738","","","0.188","0.2208","","","","","","1.004","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1550134","26.8452","0.0002","26.8452","0.0002","11.2309","0.0001","90","","90","","120","","7009.36","0.1","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H18 F2 O -","- C19 H18 F2 O -","- C342 H324 F36 O18 -","18","","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0463","0.0447","","","0.1205","0.1217","","","","","","1.059","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550693","28.7","0.004","28.7","0.004","11.8086","0.0019","90","","90","","120","","8424","2","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C17 H14 N2 O2 S2 -","- C17 H14 N2 O2 S2 -","- C306 H252 N36 O36 S36 -","18","","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.078","0.0468","","","0.1087","0.124","","","","","","1.021","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550732","24.749","0.003","24.749","","29.868","0.003","90","","90","","120","","15844","2","120.15","","120.15","","","","","","","","","7","R -3","-R 3","148","","","","- C25 H44 K N2 O6 Rh0.33 Sn4 -","- C25 H44 K N2 O6 Rh0.333333 Sn4 -","- C450 H792 K18 N36 O108 Rh6 Sn72 -","18","","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.0638","0.0427","","","0.0875","0.0973","","","","","","1.045","","","","has coordinates","214073","2020-10-21","18:00:00",""
"1550916","16.4857","0.0003","16.4857","0.0003","54.2335","0.0015","90","","90","","120","","12764.8","0.5","100","","100","","","","","","","","","7","R -3","-R 3","148","","","","- C40 H96 Mn4 N6 O6 Se17 Sn4 -","- C39.9999 H95.9997 Mn4 N6 O6 Se16.9999 Sn4 -","- C239.999 H575.998 Mn24 N36 O36 Se101.999 Sn24 -","6","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0815","0.0552","","","0.1474","0.1578","","","","","","1.035","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"2000736","6.51","0.001","6.51","0.001","6.51","0.001","89.47","0.02","89.47","0.02","89.47","0.02","275.86","0.07","","","","","","","","","","","","3","R -3","-P 3*","","","","","- Mo6 S8 Sn0.854 -","- Mo6 S8 Sn -","- Mo6 S8 Sn -","1","","CR0368","Le Lay, L.; Powell, D. R.; Willis, T. C.","Structure of Sn~0.854~Mo~6~S~8~","Acta Crystallographica Section C","1992","48","7","1179","1182","10.1107/S0108270191014609","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2001762","11.301","0.004","11.301","0.004","11.301","0.004","52.93","0.03","52.93","0.03","52.93","0.03","851.4","0.7","","","","","","","","","","","","4","R -3","-P 3*","","","","","- C26 H54 O6 W2 -","- C26 O6 W2 -","- C26 O6 W2 -","1","","CR0421","Gilbert, T. M.; Rogers, R. D.","Structure of [W~2~(μ-C~2~){OC(CH~3~)~3~}~6~]: a dimetallabutadiyne","Acta Crystallographica Section C","1993","49","4","677","680","10.1107/S0108270192010813","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2019202","15.0087","0.0003","15.0087","","19.1943","0.0004","90","","90","","120","","3744.46","0.11","295","","295","","","","","","","","","4","R -3","-R 3","148","","Nonasodium scandium hexakis[tetraoxidomolybdate(II)]","","- Mo6 Na9 O24 Sc -","- Mo6 Na9 O24 Sc -","- Mo36 Na54 O144 Sc6 -","6","","CU3037","Savina, Aleksandra A.; Morozov, Vladimir A.; Basovich, Olga M.; Khaikina, Elena G.; Lazoryak, Bogdan I.","The double molybdate Na~9~Sc(MoO~4~)~6~ refined from powder XRD data","Acta Crystallographica Section C","2013","69","11","1301","1303","10.1107/S010827011302862X","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2020978","17.6827","0.0007","17.6827","0.0007","16.4925","0.0009","90","","90","","120","","4466","0.3","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","5-Methyl-2-thiouracil‒melamine (3/2)","","- C21 H30 N18 O3 S3 -","- C21 H30 N18 O3 S3 -","- C126 H180 N108 O18 S18 -","6","","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0367","0.0359","","","0.0935","0.0943","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2100791","9.2536","0.0001","9.2536","0.0001","16.7028","0.0005","90","","90","","120","","1238.63","0.04","","","","","","","","","","","","5","R -3","-R 3","","","","","- C12 H30 Cl3 Co N6 -","- C12 H30 Cl3 Co N6 -","- C36 H90 Cl9 Co3 N18 -","3","","AS0590","Morooka, M.; Ohba, S.; Toriumi, K.","Electron-density distribution in crystals of 1,4,7,10,13,16-hexaazacyclooctadecanecobalt(III) trichloride, <i>meso</i>-[Co(hexaen)]Cl~3~ at 106 K","Acta Crystallographica Section B","1992","48","4","459","463","10.1107/S0108768192002714","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2107503","12.5705","0.0011","12.5705","0.0011","38.213","0.006","90","","90","","120","","5229.3","1","150","2","150","2","","","","","","","","8","R -3","-R 3","148","","","","- C31 H24 Ag F3 N9 O9 P3 S -","- C30 H24 Ag N9 O6 P3 -","- C180 H144 Ag6 N54 O36 P18 -","6","","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0279","0.0252","","","0.0661","0.0679","","","","","","1.063","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2236499","11.8915","0.0001","11.8915","0.0001","11.5736","0.0002","90","","90","","120","","1417.33","0.03","123","","123","","","","","","","","","4","R -3","-R 3","148","Acetylene‒ammonia‒18-crown-6 (1/2/1)","Ethyne‒ammonia‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/2/1)","","- C14 H32 N2 O6 -","- C14 H32 N2 O6 -","- C42 H96 N6 O18 -","3","","NC2288","Grassl, Tobias; Hamberger, Markus; Korber, Nikolaus","Acetylene‒ammonia‒18-crown-6 (1/2/1)","Acta Crystallographica Section E","2012","68","10","o2933","","10.1107/S1600536812038792","","","1.54184","CuKα","","0.0387","0.0363","","","0.0968","0.1001","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238428","23.4627","0.0008","23.4627","0.0008","11.3722","0.0004","90","","90","","120","","5421.6","0.3","173","2","173","2","","","","","","","","4","R -3","-R 3","148","","2-[(2-Chlorophenyl)(hydroxy)methyl]phenol","","- C13 H11 Cl O2 -","- C13 H11 Cl O2 -","- C234 H198 Cl18 O36 -","18","","SJ5343","Prakasha, G.; Jasinski, Jerry P.; Brown, Jared S.; Yathirajan, H. S.; Ravishankara, D. K.","2-[(2-Chlorophenyl)(hydroxy)methyl]phenol","Acta Crystallographica Section E","2013","69","8","o1240","","10.1107/S1600536813018667","","","1.5418","CuKα","","0.0715","0.065","","","0.2032","0.2129","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239164","17.697","0.0006","17.697","0.0006","9.5455","0.0006","90","","90","","120","","2589","0.2","298","2","298","2","","","","","","","","3","R -3","-R 3","148","","(1<i>S</i>*,2<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-Cyclohexane-1,2,4,5-tetracarboxylic acid","","- C10 H12 O8 -","- C10 H12 O8 -","- C90 H108 O72 -","9","","IS5327","Uchida, Akira; Hasegawa, Masatoshi; Yamaguchi, Shinya; Takezawa, Eiichiro; Ishikawa, Atsushi; Kagayama, Takashi","(1<i>S</i>*,2<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-Cyclohexane-1,2,4,5-tetracarboxylic acid","Acta Crystallographica Section E","2014","70","1","o75","","10.1107/S1600536813033795","","","0.71073","MoKα","","0.0491","0.0414","","","0.1131","0.1189","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240439","4.8158","0.0001","4.8158","0.0001","16.0488","0.0006","90","","90","","120","","322.337","0.015","295","2","295","2","","","","","","","","5","R -3","-R 3","148","","Calcium magnesium cobalt dicarbonate","","- C2 Ca Co0.17 Mg0.83 O6 -","- C2 Ca Co0.172 Mg0.828 O6 -","- C6 Ca3 Co0.516 Mg2.484 O18 -","3","","","Perchiazzi, Natale","Crystal structure study of a cobaltoan dolomite from Kolwezi, Democratic Republic of Congo","Acta Crystallographica Section E","2015","71","3","i3","","10.1107/S2056989015003126","","","0.71073","MoKα","","0.0188","0.0188","","","0.059","0.059","","","","","","0.962","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2241270","9.3679","0.0004","9.3679","0.0004","18.3089","0.0018","90","","90","","120","","1391.48","0.16","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Hexaamminecobalt(II) bistetracarbonylcobaltate(-I)","Hexaamminecobalt(II) bis[tetracarbonylcobaltate(-I)]","","- C8 H18 Co3 N6 O8 -","- C8 H18 Co3 N6 O8 -","- C24 H54 Co9 N18 O24 -","3","","WM5229","Müller, Thomas G.; Kraus, Florian","Crystal structure of [Co(NH~3~)~6~][Co(CO)~4~]~2~","Acta Crystallographica Section E","2015","71","11","1418","1420","10.1107/S2056989015020290","","","0.71073","MoKα","","0.0378","0.0336","","","0.0861","0.0895","","","","","","1.075","","","","has coordinates,has Fobs","169993","2020-10-21","18:00:00",""
"2241368","29.831","0.002","29.831","0.002","9.7983","0.0008","90","","90","","120","","7551.2","0.9","90","2","90","2","","","","","","","","5","R -3","-R 3","148","","(<i>tert</i>-Butylcarbamoyl)(4-chloro-2-oxo-2<i>H</i>-chromen-3-yl)methyl acetate","","- C17 H18 Cl N O5 -","- C17 H18 Cl N O5 -","- C306 H324 Cl18 N18 O90 -","18","","ZS2353","Moriguchi, Tetsuji; Jalli, Venkataprasad; Krishnamurthy, Suvratha; Tsuge, Akihiko; Yoja, Kenji","Crystal structure of (<i>tert</i>-butylcarbamoyl)(4-chloro-2-oxo-2<i>H</i>-chromen-3-yl)methyl acetate","Acta Crystallographica Section E","2015","71","12","o1002","","10.1107/S2056989015021982","","","0.71073","MoKα","","0.0314","0.027","","","0.0821","0.0943","","","","","","1.121","","","","has coordinates,has Fobs","170602","2020-10-21","18:00:00",""
"2242786","14.0947","0.0003","14.0947","0.0003","18.0603","0.0005","90","","90","","120","","3107.19","0.13","296","","296","","","","","","","","","4","R -3","-R 3","148","","Poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate]","","- C18 H54 Er2 O36 -","- C18 H54 Er2 O36 -","- C54 H162 Er6 O108 -","3","","HB7788","Ponjan, Nutcha; Kodchasanthong, Kenika; Jiajaroen, Suwadee; Chainok, Kittipong","Crystal structure of poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate]","Acta Crystallographica Section E","2019","75","1","64","67","10.1107/S2056989018017516","","x-ray","0.71073","MoKα","","0.0372","0.023","","","0.0362","0.0416","","","","","","1.082","","","","has coordinates,has Fobs","212635","2020-10-21","18:00:00",""
"4001418","9.405","0.002","9.405","0.002","10.41","0.002","90","","90","","120","","797.4","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.97 Mo18 S24 -","- Cu2.9718 Mo18 S24 -","- Cu2.9718 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.9623","1.962","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001419","9.52","0.002","9.52","0.002","10.314","0.002","90","","90","","120","","809.5","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.23 Mo18 S24 -","- Cu4.22406 Mo18 S24 -","- Cu4.22406 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.397","0.549","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001420","9.47","0.002","9.47","0.002","10.377","0.002","90","","90","","120","","805.9","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.37 Mg0.25 Mo18 S24 -","- Cu3.366 Mg0.252 Mo18 S24 -","- Cu3.366 Mg0.252 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.397","1.738","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001421","9.548","0.002","9.548","0.002","10.375","0.002","90","","90","","120","","819.1","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.37 Mg0.22 Mo18 S24 -","- Cu4.36878 Mg0.2079 Mo18 S24 -","- Cu4.36878 Mg0.2079 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.4966","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001422","9.534","0.002","9.534","0.002","10.431","0.002","90","","90","","120","","821.1","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu1.6 Mg2.09 Mo18 S24 -","- Cu1.602 Mg2.088 Mo18 S24 -","- Cu1.602 Mg2.088 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.3731","1.98","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001423","9.516","0.002","9.516","0.002","10.46","0.002","90","","90","","120","","820.3","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.86 Mg1.31 Mo18 S24 -","- Cu2.862 Mg1.314 Mo18 S24 -","- Cu2.862 Mg1.314 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","4.4882","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001424","9.594","0.002","9.594","0.002","10.435","0.002","90","","90","","120","","831.8","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.02 Mg2.27 Mo18 S24 -","- Cu3.0276 Mg2.2752 Mo18 S24 -","- Cu3.0276 Mg2.2752 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.6866","1.768","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001425","9.724","0.002","9.724","0.002","10.392","0.002","90","","90","","120","","851","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.66 Mg3.31 Mo18 S24 -","- Cu4.662 Mg3.312 Mo18 S24 -","- Cu4.662 Mg3.312 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","4.6739","1.789","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001426","9.705","0.002","9.705","0.002","10.405","0.002","90","","90","","120","","848.7","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu1.21 Mg5.4 Mo18 S24 -","- Cu1.20006 Mg5.4 Mo18 S24 -","- Cu1.20006 Mg5.4 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.7278","1.789","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001427","9.448","0.002","9.448","0.002","10.392","0.002","90","","90","","120","","803.4","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.06 Mg0.2 Mo18 S24 -","- Cu3.06 Mg0.198 Mo18 S24 -","- Cu3.06 Mg0.198 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.5699","0.4856","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001428","9.462","0.002","9.462","0.002","10.434","0.002","90","","90","","120","","809","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.56 Mg0.77 Mo18 S24 -","- Cu2.556 Mg0.774 Mo18 S24 -","- Cu2.556 Mg0.774 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.4032","0.8","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001596","9.4592714","0.0000006","9.4592714","0.0000006","10.5588446","0.0000005","90","","90","","120","","818.206","0.00008","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 S8 -","- Mg0.99996 Mo6 S8 -","- Mg2.99988 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","1.59","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001597","9.7630596","0.000001","9.7630596","0.000001","10.3689375","0.000001","90","","90","","120","","855.927","0.00015","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg2 Mo6 S8 -","- Mg1.99992 Mo6 S8 -","- Mg5.99976 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","6.6854","0.6703","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4032898","35.153","0.002","35.153","0.002","8.9968","0.0005","90","","90","","120","","9628.2","0.9","200","2","200","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C342 H342 N18 O72 -","18","","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0758","0.0533","","","0.1405","0.1538","","","","","","1.047","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4079804","68.226","0.005","68.226","0.005","12.7521","0.0018","90","","90","","120","","51406","9","100","2","100","2","","","","","","","","7","R -3","-R 3","148","","","","- C101.36 H87.69 Cl6.39 Fe6 Ga2 N3 O13.56 -","- C101.355 H70 Cl6.393 Fe6 Ga2 N3 O13.556 -","- C1824.39 H1260 Cl115.074 Fe108 Ga36 N54 O244.008 -","18","","","Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E.","Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates","Organometallics","2013","32","1","95","","10.1021/om300843r","","","0.71073","MoKα","","0.1363","0.0627","","","0.1578","0.1758","","","","","","0.85","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079805","67.44","0.002","67.44","0.002","12.8588","0.0009","90","","90","","120","","50648","4","100","2","100","2","","","","","","","","7","R -3","-R 3","148","","","","- C107.61 H103.36 Cl4.33 Fe6 In2 N3 O15.29 -","- C107.613 H87.837 Cl4.335 Fe6 In2 N3 O15.292 -","- C1937.03 H1581.07 Cl78.03 Fe108 In36 N54 O275.256 -","18","","","Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E.","Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates","Organometallics","2013","32","1","95","","10.1021/om300843r","","","0.71073","MoKα","","0.1198","0.0701","","","0.1704","0.1906","","","","","","0.937","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4080387","68.514","0.006","68.514","0.006","10.822","0.001","90","","90","","120","","43994","7","100","","100.15","","","","","","","","","4","R -3","-R 3","148","","","","- C94 H90 O8 Si8 -","- C94 H90 O8 Si8 -","- C1692 H1620 O144 Si144 -","18","","","Panisch, Robin; Bassindale, Alan R.; Korlyukov, Alexander A.; Pitak, Mateusz B.; Coles, Simon J.; Taylor, Peter G.","Selective Derivatization and Characterization of Bifunctional “Janus-Type” Cyclotetrasiloxanes","Organometallics","2013","32","6","1732","","10.1021/om301158w","","","0.71073","MoKα","","0.191","0.1019","","","0.2185","0.2507","","","","","","1.008","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4081903","21.557","0.004","21.557","0.004","26.611","0.005","90","","90","","120","","10709","3","100","","100","","","","","","","","","5","R -3","-R 3","148","","","","- C24 H33.33 Cl Ir N3 -","- C23 H31 Cl Ir N3 -","- C414 H558 Cl18 Ir18 N54 -","18","","","Specht, Zephen G.; Grotjahn, Douglas B.; Moore, Curtis E.; Rheingold, Arnold L.","Effects of Hindrance in N-Pyridyl Imidazolylidenes Coordinated to Iridium on Structure and Catalysis","Organometallics","2013","32","21","6400","","10.1021/om400758b","","x-ray","0.71073","MoKα","K-L~3~","0.0434","0.031","","","0.0648","0.0681","","","","","","1.028","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4083592","34.2772","0.0014","34.2772","0.0014","14.1208","0.0006","90","","90","","120","","14368.1","1","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C25 H22 F3 N4 O3 S -","- C25 H22 F3 N4 O3 S -","- C450 H396 F54 N72 O54 S18 -","18","","","Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo","Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties","Organometallics","2014","33","12","3205","","10.1021/om500547g","","x-ray","1.54184","CuKα","","0.093","0.0765","","","0.2461","0.2626","","","","","","1.113","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4086585","31.949","0.003","31.949","0.003","42.298","0.004","90","","90","","120","","37391","6","100","","100","","","","","","","","","5","R -3","-R 3","148","","","","- C76 H103 Cl4 P4 Rh -","- C76 H103 Cl4 P4 Rh -","- C1368 H1854 Cl72 P72 Rh18 -","18","","","Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes","Organometallics","2016","35","13","2224","","10.1021/acs.organomet.6b00250","","","0.71073","MoKα","","0.0944","0.0544","","","0.1206","0.1414","","","","","","0.914","","","","has coordinates,has disorder","184362","2020-10-21","18:00:00",""
"4106314","26.038","0.004","26.038","0.004","21.702","0.004","90","","90","","120","","12742","4","223.15","","223.15","","","","","","","","","8","R -3","-R 3","148","","","","- C20 H36 Cl Cu F5 K N6 O3 -","- C20 H36 Cl Cu F5 K N6 O3 -","- C360 H648 Cl18 Cu18 F90 K18 N108 O54 -","18","","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0597","0.0508","","","0.1306","0.1362","","","","","","1.022","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4122608","29.0822","0.0011","29.0822","0.0011","32.064","0.0015","90","","90","","120","","23485.7","1.7","100","2","100","2","","","","","","","","6","R -3","-R 3","148","HJL-PMe3-B1Z1","","","- C45 H53 B Fe N7 P -","- C45 H53 B Fe N7 P -","- C810 H954 B18 Fe18 N126 P18 -","18","","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.096","0.0661","","","0.167","0.1807","","","","","","1.086","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4124286","22.2705","0.0009","22.2705","0.0009","17.9544","0.0007","90","","90","","120","","7711.9","0.5","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C44.67 H37 N6.33 -","- C44.6667 H37.0002 N6.33333 -","- C402 H333.002 N57 -","9","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0328","0.0303","","","0.0782","0.0803","","","","","","1.038","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124287","22.3679","0.0012","22.3679","0.0012","17.9046","0.001","90","","90","","120","","7757.9","0.7","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C122 H117 N19 -","- C122 H117.001 N19 -","- C366 H351.002 N57 -","3","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0374","0.0357","","","0.0929","0.0946","","","","","","1.021","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124544","35.8458","0.0007","35.8458","0.0007","23.382","0.0016","90","","90","","120","","26018.9","1.9","85","","85","","","","","","","","","7","R -3","-R 3","148","","","","- C56 H42 F3 N5 O4 P2 Ru -","- C56 H42 F3 N5 O4 P2 Ru -","- C1008 H756 F54 N90 O72 P36 Ru18 -","18","","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0493","0.048","","","0.1712","0.1754","","","","","","0.84","","","","has coordinates","170077","2020-10-21","18:00:00",""
"4125162","36.076","0.002","36.076","0.002","29.2307","0.0019","90","","90","","120","","32946","3","100","","100","","","","","","","","","4","R -3","-R 3","148","","","","- C192 Cu24 N24 O168 -","- C192 Cu24 N24 O168 -","- C576 Cu72 N72 O504 -","3","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0989","0.0797","","","0.2159","0.2353","","","","","","1.022","","","","has coordinates,has disorder","187897","2020-10-21","18:00:00",""
"4125164","35.66","0.003","35.66","0.003","30.219","0.003","90","","90","","120","","33279","5","","","100","","","","","","","","","3","R -3","-R 3","148","","","","- C36 Cu4 O20 -","- C36 Cu4 O20 -","- C648 Cu72 O360 -","18","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0921","0.0713","","","0.1872","0.2031","","","","","","1.0267","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125391","25.3369","0.0005","25.3369","0.0005","114.6628","0.0017","90","","90","","120","","63747","2","100","0.1","100","0.1","","","","","","","","8","R -3","-R 3","148","","","","- C379 H345 Ag63 B Cl6 F71.41 P8 S36 -","- C376 H339 Ag63 B0.9999 F71.406 P8 S36 -","- C2256 H2034 Ag378 B5.9994 F428.436 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.096","0.0688","","","0.1909","0.2078","","","","","","1.054","","","","has coordinates,has disorder","193464","2020-10-21","18:00:00",""
"4125392","25.2879","0.0004","25.2879","0.0004","114.758","0.002","90","","90","","120","","63553.5","1.8","100.01","0.1","100.01","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C315 Ag63 Br F72 P8 S36 -","- C315 Ag63 Br0.9999 F72 P8 S36 -","- C1890 Ag378 Br5.9994 F432 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.152","0.1246","","","0.3893","0.4101","","","","","","1.09","","","","has coordinates","193464","2020-10-21","18:00:00",""
"4125482","30.4451","0.0013","30.4451","0.0013","96.083","0.004","90","","90","","120","","77128","6","100","2","100.01","","","","","","","","","4","R -3","-R 3","148","","","","- C324 H216 N40 Ru6 -","- C324 H216 N40 Ru6 -","- C1944 H1296 N240 Ru36 -","6","","","Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R.","Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages.","Journal of the American Chemical Society","2017","139","8","3012","3020","10.1021/jacs.6b11784","","","1.54178","CuKα","","0.1896","0.136","","","0.4004","0.4491","","","","","","1.886","","","","has coordinates,has disorder","193480","2020-10-21","18:00:00",""
"4125590","27.2965","0.0007","27.2965","0.0007","16.2071","0.0006","90","","90","","120","","10458","0.5","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C23 H29 B F4 O2 -","- C23 H29 B F4 O2 -","- C414 H522 B18 F72 O36 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.6935","Synchrotron","","0.1938","0.1724","","","0.5211","0.5422","","","","","","2.136","","","","has coordinates,has disorder","193497","2020-10-21","18:00:00",""
"4125712","27.0338","0.0005","27.0338","0.0005","16.1483","0.0004","90","","90","","120","","10220.5","0.4","100","2","100","","","","","","","","","5","R -3","-R 3","148","","","","- C23 H28.16 B F4 O1.75 -","- C23.0008 H28.1656 B F4 O1.749 -","- C414.014 H506.981 B18 F72 O31.482 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.71073","MoKα","","0.1622","0.1175","","","0.3065","0.3429","","","","","","1.029","","","","has coordinates,has disorder","193093","2020-10-21","18:00:00",""
"4126184","26.9457","0.0015","26.9457","0.0015","26.763","0.002","90","","90","","120","","16828.5","1.8","298","2","298","2","","","","","","","","6","R -3","-R 3","148","ZIF-303","","","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C270 H144 Cl18 N153 O18 Zn36 -","36","","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.2176","0.1247","","","0.3101","0.4031","","","","","","1.189","","","","has coordinates,has disorder","197306","2020-10-21","18:00:00",""
"4126524","39.4235","0.0014","39.4235","0.0014","31.194","0.0006","90","","90","","120","","41987","2","100.01","0.1","100.01","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C58 H82 Ga2 N4 P8 -","- C58 H82 Ga2 N4 P8 -","- C1044 H1476 Ga36 N72 P144 -","18","","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0973","0.0564","","","0.1418","0.1614","","","","","","0.996","","","","has coordinates,has disorder","201615","2020-10-21","18:00:00",""
"4126610","25.72","0.007","25.72","0.007","6.853","0.002","90","","90","","120","","3926","1.9","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C11.78 H9.57 Co2 O6 -","- C11.784 H9.568 Co2 O6 -","- C106.056 H86.112 Co18 O54 -","9","","","Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R.","M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06397","","","0.6888","synchrotron","","0.0827","0.0613","","","0.1113","0.1204","","","","","","1.101","","","","has coordinates","202151","2020-10-21","18:00:00",""
"4126638","30.7121","0.0003","30.7121","0.0003","35.4811","0.0004","90","","90","","120","","28983.2","0.5","293","","293","","","","","","","","","2","R -3","-R 3","148","","","","- C88 H48 -","- C88 H48 -","- C1584 H864 -","18","","","Berezhnaia, Veronika; Roy, Myriam; Vanthuyne, Nicolas; Villa, Marco; Naubron, Jean-Valère; Rodriguez, Jean; Coquerel, Yoann; Gingras, Marc","A Chiral Nanographene Propeller Embedding Six Enantiomerically Stable [5]Helicene Units.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07622","","x-ray","1.54184","CuKα","","0.0526","0.0491","","","0.1454","0.1484","","","","","","1.076","","","","has coordinates","202301","2020-10-21","18:00:00",""
"4126752","9.886","0.0005","9.886","0.0005","41.171","0.002","90","","90","","120","","3484.7","0.3","300","0.4","300","0.4","","","","","","","","6","R -3","-R 3","148","","[C6N2H14]Mn[H2PO2]3","","- C2 H8.67 Mn0.67 N0.67 O4 P2 -","- C2 H8.66667 Mn0.666667 N0.666667 O4 P2 -","- C36 H156 Mn12 N12 O72 P36 -","18","","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0734","0.0584","","","0.1248","0.1329","","","","","","1.1","","","","has coordinates","203364","2020-10-21","18:00:00",""
"4126913","18.3578","0.0007","18.3578","0.0007","62.096","0.004","90","","90","","120","","18123.2","1.5","173","","173","","","","","","","","","6","R -3","-R 3","148","","","","- C18 Cl18 N6 O79 Rb3 Ti12 -","- C18 Cl17.975 N6 O69 Rb3 Ti12 -","- C108 Cl107.85 N36 O414 Rb18 Ti72 -","6","","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1535","0.1242","","","0.3546","0.3685","","","","","","1.074","","","","has coordinates","204525","2020-10-21","18:00:00",""
"4303147","9.467","0.002","9.467","0.002","10.523","0.002","90","","90","","120","","816.8","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","cadmium molybdenum sulfide","","- Mn3 Mo18 S24 -","- Mn3.00006 Mo18 S24 -","- Mn3.00006 Mo18 S24 -","1","","","Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard","Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility","Inorganic Chemistry","2009","48","","8751","8758","10.1021/ic900805g","powder diffraction","neutron","1.9106","neutron","","","","","","","","","3.5651","3.0893","","","","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303148","9.231","0.002","9.231","0.002","11.237","0.002","90","","90","","120","","829.2","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","sodium molybdenum sulide","","- Mo6 Na S8 -","- Mo6 Na1.00002 S8 -","- Mo18 Na3.00006 S24 -","3","","","Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard","Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility","Inorganic Chemistry","2009","48","","8751","8758","10.1021/ic900805g","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.3812","1.05","","","","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303149","9.572","0.002","9.572","0.002","11.716","0.002","90","","90","","120","","929.6","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","sodium molybdenum selenide","","- Mo6 Na Se8 -","- Mo6 Na Se8 -","- Mo18 Na3 Se24 -","3","","","Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard","Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility","Inorganic Chemistry","2009","48","","8751","8758","10.1021/ic900805g","powder diffraction","","1.5418","CuKα","","","","","","","","","4.6573","1.5791","","","","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303150","9.424","0.002","9.424","0.002","10.75","0.002","90","","90","","120","","826.8","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","cadmium molybdenum sulfide","","- Cd3 Mo18 S24 -","- Cd3.00006 Mo18 S24 -","- Cd3.00006 Mo18 S24 -","1","","","Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard","Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility","Inorganic Chemistry","2009","48","","8751","8758","10.1021/ic900805g","powder diffraction","neutron","1.9106","neutron","","","","","","","","","1.7679","0.2125","","","","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303151","9.793","0.002","9.793","0.002","11.192","0.002","90","","90","","120","","929.5","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","cadmium molybdenum selenide","","- Cd3 Mo18 Se24 -","- Cd3.00006 Mo18 Se24 -","- Cd3.00006 Mo18 Se24 -","1","","","Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard","Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility","Inorganic Chemistry","2009","48","","8751","8758","10.1021/ic900805g","powder diffraction","neutron","1.9106","neutron","","","","","","","","","2.0171","0.7926","","","","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303152","9.545","0.002","9.545","0.002","10.296","0.002","90","","90","","120","","812.4","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc molybdenum sulfide","","- Mo18 S24 Zn3 -","- Mo18 S24 Zn3.00006 -","- Mo18 S24 Zn3.00006 -","1","","","Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard","Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility","Inorganic Chemistry","2009","48","","8751","8758","10.1021/ic900805g","powder diffraction","neutron","1.9106","neutron","","","","","","","","","3.4994","1.982","","","","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303153","9.91","0.002","9.91","0.002","10.732","0.002","90","","90","","120","","912.8","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc molybdenum selenide","","- Mo18 Se24 Zn3 -","- Mo18 Se24 Zn3.00006 -","- Mo18 Se24 Zn3.00006 -","1","","","Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard","Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility","Inorganic Chemistry","2009","48","","8751","8758","10.1021/ic900805g","powder diffraction","neutron","1.9106","neutron","","","","","","","","","2.3271","2.95","","","","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4337903","28.7503","0.0011","28.7503","0.0011","9.8541","0.0005","90","","90","","120","","7053.9","0.5","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C28 H45 Bi N2 Si -","- C28 H45 Bi N2 Si -","- C252 H405 Bi9 N18 Si9 -","9","","","Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M.","Low-Coordinate Bismuth Cations.","Inorganic chemistry","2014","53","7","3778","","10.1021/ic500113g","","","0.7107","MoKα","","0.1514","0.1289","","","0.2716","0.2795","","","","","","1.323","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4338060","31.9572","0.0009","31.9572","0.0009","9.5202","0.0003","90","","90","","120","","8420","0.4","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C12 H15 Cu2 I2 N7 -","- C12 H15 Cu2 I2 N7 -","- C216 H270 Cu36 I36 N126 -","18","","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.0352","0.0261","","","0.0506","0.053","","","","","","1.072","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338513","15.1426","0.0008","15.1426","0.0008","10.3856","0.001","90","","90","","120","","2062.4","0.3","295","2","295","2","","","","","","","","3","R -3","-R 3","148","","","","- F31 K7 U6 -","- F31 K7 U6 -","- F93 K21 U18 -","3","","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0492","0.0395","","","0.1008","0.1055","","","","","","1.109","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338840","9.8489","0.0001","9.8489","0.0001","11.0567","0.0002","90","","90","","120","","928.82","0.02","573","","573","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg3 Mo18 Se24 -","- Mg3.00006 Mo18 Se24 -","- Mg3.00006 Mo18 Se24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Isnard, O.","On the mechanism of triclinic distortion in Chevrel Phase as probed by in-situ neutron diffraction.","Inorganic chemistry","2007","46","18","7528","7535","10.1021/ic7008573","powder diffraction","","1.9106","neutron","","","","","","","","","3.905","3.0527","","","","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4340372","31.932","0.0011","31.932","0.0011","38.4178","0.001","90","","90","","120","","33924.6","1.9","297.8","0.3","297.8","0.3","","","","","","","","6","R -3","-R 3","148","","","","- C53 H53 Cl6 Cu3 N3 O12 -","- C53 H53 Cl6 Cu3 N3 O12 -","- C954 H954 Cl108 Cu54 N54 O216 -","18","","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0718","0.0537","","","0.1545","0.1674","","","","","","0.989","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340374","22.1525","0.0003","22.1525","0.0003","31.1429","0.0006","90","","90","","120","","13235.3","0.4","298","0.14","298","0.14","","","","","","","","7","R -3","-R 3","148","","","","- C20 H22 Cl6 Cu N O4.33 P0.33 -","- C20 H22 Cl6 Cu N O4.33333 P0.333333 -","- C360 H396 Cl108 Cu18 N18 O78 P6 -","18","","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0956","0.0774","","","0.2419","0.2668","","","","","","1.069","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4342142","19.2352","0.0004","19.2352","0.0004","33.3633","0.0009","90","","90","","120","","10690.4","0.4","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- C21 H21 Ga2 N3 -","- C21 H21 Ga2 N3 -","- C378 H378 Ga36 N54 -","18","","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.71073","MoKα","","0.0717","0.039","","","0.0893","0.0963","","","","","","0.992","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342488","44.705","0.009","44.705","0.009","68.621","0.014","90","","90","","120","","118768","4","100","2","100","2","","","","","","","","7","R -3","-R 3","148","M12L18OH","","","- C540 H471 B24 Co12 F96 N108 O37.5 -","- C540 H462 B4 Co12 F16 N108 O37.5 -","- C3240 H2772 B24 Co72 F96 N648 O225 -","6","","","Cullen, William; Hunter, Christopher A.; Ward, Michael D.","An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.","Inorganic chemistry","2015","54","6","2626","2637","10.1021/ic502780b","","","0.71075","MoKα","","0.2453","0.1991","","","0.4972","0.5222","","","","","","1.839","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4343342","29.923","0.002","29.923","0.002","37.639","0.003","90","","90","","120","","29186","4","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- C48 H36 O13.5 Zn2.83 -","- C48 H36 O13.5 Zn2.83333 -","- C864 H648 O243 Zn51 -","18","","","Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng","Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions.","Inorganic chemistry","2015","54","13","6084","6086","10.1021/acs.inorgchem.5b00934","","","1.54184","CuKα","","0.2281","0.1582","","","0.3898","0.4408","","","","","","1.191","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343343","29.706","0.002","29.706","0.002","7.8313","0.0009","90","","90","","120","","5984.8","0.9","290.25","0.1","290.25","0.1","","","","","","","","4","R -3","-R 3","148","","","","- C15.89 H12.89 O4.17 Zn1.33 -","- C15.89 H12.89 O4.16667 Zn1.33333 -","- C286.02 H232.02 O75 Zn24 -","18","","","Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng","Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions.","Inorganic chemistry","2015","54","13","6084","6086","10.1021/acs.inorgchem.5b00934","","","1.5418","CuKα","","0.4589","0.373","","","0.7077","0.7553","","","","","","2.516","","","","has coordinates","141324","2020-10-21","18:00:00",""
"4344413","15.1763","0.0005","15.1763","0.0005","47.0687","0.0007","90","","90","","120","","9388.5","0.5","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C116 H110 Cl2 N42 Ni8 O9 -","- C116 H110.04 Cl2 N42 Ni8 O9 -","- C348 H330.12 Cl6 N126 Ni24 O27 -","3","","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1552","0.0919","","","0.2516","0.3006","","","","","","0.95","","","","has coordinates","170790","2020-10-21","18:00:00",""
"4345055","19.377","0.003","19.377","0.003","19.81","0.004","90","","90","","120","","6441.5","1.9","293.15","","293.15","","","","","","","","","6","R -3","-R 3","148","","","","- C48 H24 Cd6 N12 O30 S7 -","- C48 H18 Cd6 N12 O30 S7 -","- C144 H54 Cd18 N36 O90 S21 -","3","","","Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei","Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission.","Inorganic chemistry","2017","56","3","1696","1705","10.1021/acs.inorgchem.6b02863","","","0.71073","MoKα","","0.0447","0.0401","","","0.1017","0.105","","","","","","1.116","","","","has coordinates","193451","2020-10-21","18:00:00",""
"4345462","19.676","0.003","19.676","0.003","19.3","0.004","90","","90","","120","","6470.9","1.9","293.15","","293.15","","","","","","","","","6","R -3","-R 3","148","","","","- C48 H30 Cd6 N12 O33 S7 -","- C48 H24 Cd6 N12 O33 S7 -","- C144 H72 Cd18 N36 O99 S21 -","3","","","Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei","Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission.","Inorganic chemistry","2017","56","3","1696","1705","10.1021/acs.inorgchem.6b02863","","","0.71073","MoKα","","0.0416","0.0366","","","0.0906","0.0943","","","","","","1.08","","","","has coordinates","192985","2020-10-21","18:00:00",""
"4345793","24.3221","0.001","24.3221","0.001","36.4934","0.0016","90","","90","","120","","18695.9","1.4","100","","100","","","","","","","","","7","R -3","-R 3","148","","","","- C45 H37 B Cu N6 P S3 -","- C45 H37 B Cu N6 P S3 -","- C810 H666 B18 Cu18 N108 P18 S54 -","18","","","Lam, Tsz Lung; Tso, Ken Chi-Hang; Cao, Bei; Yang, Chen; Chen, Daqing; Chang, Xiao-Yong; Huang, Jie-Sheng; Che, Chi-Ming","Tripodal S-Ligand Complexes of Copper(I) as Catalysts for Alkene Aziridination, Sulfide Sulfimidation, and C-H Amination.","Inorganic chemistry","2017","56","8","4253","4257","10.1021/acs.inorgchem.7b00226","","","1.54178","CuKα","","0.1138","0.0991","","","0.2925","0.3136","","","","","","1.118","","","","has coordinates,has disorder","195972","2020-10-21","18:00:00",""
"4511261","14.0339","0.0006","14.0339","0.0006","21.2738","0.001","90","","90","","120","","3628.5","0.3","293","2","293","2","","","","","","","","5","R -3","-R 3","148","Fe-BTC-NMF","","","- C6 H7 Fe N O5 -","- C6 H7 Fe N O5 -","- C108 H126 Fe18 N18 O90 -","18","","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.7107","MoKα","","0.0478","0.0349","","","0.115","0.1363","","","","","","0.93","","","","has coordinates","179659","2020-10-21","18:00:00",""
"5910080","5.49","","5.49","","5.49","","59.42","","59.42","","59.42","","115.46","","","","","","","","","","","","","3","R -3","","148","","Cobalt titanate","","- Co O3 Ti -","- Co36 O108 Ti36 -","- Co36 O108 Ti36 -","","","","Wyckoff, R. W. G.","Pages 54 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935","The second edition supplement of The Structure of Crystals","1935","","","54","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910097","6.69","","6.69","","6.69","","52.3","","52.3","","52.3","","173.426","","","","","","","","","","","","","2","R -3","","148","","molysite","","- Cl3 Fe -","- Cl18 Fe18 -","- Cl18 Fe18 -","","","","Wyckoff, R. W. G.","Page 38 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst/","The second edition supplement of The Structure of Crystals","1935","","","38","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910103","8.63","","8.63","","8.63","","107.45","","107.45","","107.45","","528.568","","","","","","","","","","","","","3","R -3","","148","","Willemite","","- O4 Si Zn2 -","- O72 Si18 Zn36 -","- O72 Si18 Zn36 -","","","","Wyckoff, R. W. G.","Page 326 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931","The second edition of Structure of Crystals","1931","","","326","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910141","10.272","","10.272","","10.272","","51.2","","51.2","","51.2","","607.485","","","","","","","","","","","","","2","R -3","","148","","Arsenic Iodide","","- As I3 -","- As36 I108 -","- As36 I108 -","","","","Wyckoff, R. W. G.","Pages 37 & 38 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935","The second edition supplement of The Structure of Crystals","1935","","","37","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000151","9.163","","9.163","","25.014","","90","","90","","120","","1818.82","","","","","","","","","","","","","4","R -3","","","","","","- Cl18 Nb6 Rb Ti -","","","","","","Nägele, A.; Anokhina, E.; Sitar, J.; Meyer, H. J.; Lachgar, A.","Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb, Cs, In, Tl)","Zeitschrift für Naturforschung B","2000","55","2","139","144","10.1515/znb-2000-0202","","","","","","","","","","","","","","","","","","","","","","174975","2020-10-21","18:00:00",""
"6000417","5.52","","5.52","","13.987","","90","","90","","120","","369.09","","","","","","","","","","","","","3","R -3","","","","","","- F6 Nb V -","","","","","","Goubard, F.; Bizot, D.; Chassaing, J.","Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6","Powder Diffraction","1998","13","","132","133","10.1017/S0885715600009969","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000767","10.9564","","10.9564","","16.835","","90","","90","","120","","1750.17","","","","","","","","","","","","","5","R -3","","","","","","- Cr H24 La N6 O30 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O","Powder Diffraction","2000","15","","23","25","10.1017/S0885715600010782","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7028391","25.5554","0.0004","25.5554","0.0004","56.4189","0.0011","90","","90","","120","","31909.5","0.9","100","2","100","2","","","","","","","","7","R -3","-R 3","148","tris(pyridine-N-oxide) silver bistriflimide","tris(pyridine-N-oxide) silver bis(trifluoromethylsulfonyl)imide","","- C51 H45 Ag3 F18 N12 O21 S6 -","- C51 H45 Ag3 F18 N12 O21 S6 -","- C918 H810 Ag54 F324 N216 O378 S108 -","18","","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.0408","0.0361","","","0.0848","0.0874","","","","","","1.184","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028420","13.709","0.0005","13.709","0.0005","52.4235","0.0016","90","","90","","120","","8532.3","0.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C27.5 H27.5 Al Cl1.5 O9 -","- C27.5 H27.5 Al Cl1.5 O9 -","- C330 H330 Al12 Cl18 O108 -","12","","","Li, Tianrong; Fang, Ran; Wang, Baodui; Shao, Yongliang; Liu, Jian; Zhang, Shouting; Yang, Zhengyin","A simple coumarin as a turn-on fluorescence sensor for Al(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2741","2743","10.1039/c3dt52414k","","","0.7107","MoKα","","0.1069","0.0683","","","0.2004","0.234","","","","","","1.065","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7028762","11.77382","0.00013","11.77382","0.00013","11.6202","0.0002","90","","90","","120","","1395.02","0.03","296","2","296","2","","","","","","","","4","R -3","-R 3","148","","","","- C1.17 H2.39 Co O3 -","- C1.204 H2.408 Co O3 -","- C21.672 H43.344 Co18 O54 -","18","","","Gao, Junkuo; Bai, Linlu; Zhang, Qian; Li, Yongxin; Rakesh, Ganguly; Lee, Jong-Min; Yang, Yanhui; Zhang, Qichun","Co6(μ3-OH)6 cluster based coordination polymer as an effective heterogeneous catalyst for aerobic epoxidation of alkenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2559","2565","10.1039/c3dt52562g","","","0.71073","","","0.0216","0.0164","","","0.0391","0.0408","","","","","","1.026","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7030974","17.454","0.003","17.454","0.003","45.618","0.003","90","","90","","120","","12035","3","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C71 H66 N6 O12 P2 V3 -","- C71 H66 N6 O12 P2 V3 -","- C426 H396 N36 O72 P12 V18 -","6","","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.09","0.0669","","","0.1823","0.1968","","","","","","1.055","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7032807","30.7574","0.0016","30.7574","0.0016","12.1006","0.0012","90","","90","","120","","9913.7","1.2","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C60 H42 Cd2 N9 O3 -","- C60 H42 Cd2 N9 O3 -","- C360 H252 Cd12 N54 O18 -","6","","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.0354","0.0278","","","0.0815","0.0854","","","","","","1.051","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032966","29.511","0.005","29.511","0.005","9.591","0.004","90","","90","","120","","7234","3","296","2","296","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H32 Fe3 Mn3 N18 O4 -","- C42 H30 Fe3 Mn3 N18 O3 -","- C252 H180 Fe18 Mn18 N108 O18 -","6","","","Zhuang, Peng-Fei; Liu, Tao; Xie, Xian-Hui; He, Cheng; Duan, Chun-Ying","A cyano-bridged tubular coordination polymer with dominant ferromagnetic interactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","464","467","10.1039/c4dt02056a","","","0.71073","MoKα","","0.0738","0.0494","","","0.1188","0.1278","","","","","","1.051","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7034458","17.4058","0.0004","17.4058","0.0004","21.4947","0.0006","90","","90","","120","","5639.6","0.2","100","","100","","","","","","","","","7","R -3","-R 3","148","","","","- C12.55 H31.38 Al F12 Li3 O15.14 P6 -","- C12.552 H31.38 Al F12 Li3 O15.138 P6 -","- C75.312 H188.28 Al6 F72 Li18 O90.828 P36 -","6","","","Schulz, Christoph; Eiden, Philipp; Klose, Petra; Ermantraut, Andreas; Schmidt, Michael; Garsuch, Arnd; Krossing, Ingo","Homoleptic borates and aluminates containing the difluorophosphato ligand - [M(O2PF2)x](y-) - synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7048","7057","10.1039/c5dt00469a","","x-ray","0.71073","MoKα","","0.0467","0.0337","","","0.0824","0.0883","","","","","","1.074","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7035359","18.0767","0.0003","18.0767","0.0003","38.3573","0.0008","90","","90","","120","","10854.7","0.3","296","2","296.15","","","","","","","","","7","R -3","-R 3","148","","","","- C61 H58.5 As6 Br6 Cu2 I2 N3.5 -","- C55.9999 H48 As6 Br6 Cu2 I2 N0.9999 -","- C335.999 H288 As36 Br36 Cu12 I12 N5.9994 -","6","","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.0494","0.0353","","","0.0887","0.0963","","","","","","1.071","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036124","23.066","0.0014","23.066","0.0014","19.425","0.004","90","","90","","120","","8950","2","100","2","100","2","","","","","","","","7","R -3","-R 3","148","","trans,cis-[RuCl2(dmso-S)2(mpp-Np)]","","- C43 H67 Cl6 N9 O7 Ru3 S6 -","- C43 H66.9996 Cl6 N9 O6.9999 Ru3 S6 -","- C258 H401.998 Cl36 N54 O41.9994 Ru18 S36 -","6","","","Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo","(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15671","15682","10.1039/c5dt02361k","","","0.7","synchrotron","","0.0373","0.0367","","","0.1289","0.1298","","","","","","1.246","","","","has coordinates","161310","2020-10-21","18:00:00",""
"7037601","22.323","0.003","22.323","0.003","53.058","0.011","90","","90","","120","","22897","6","100","2","100","","","","","","","","","5","R -3","-R 3","148","","","","- C70.5 H78 F27 N12 Sm3 -","- C70.5 H78 F27 N12 Sm3 -","- C846 H936 F324 N144 Sm36 -","12","","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71196","Synchrotron","","0.0682","0.054","","","0.1447","0.1538","","","","","","1.035","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7038345","38.5967","0.0016","38.5967","0.0016","23.9936","0.0015","90","","90","","120","","30955","3","120","","120","","","","","","","","","9","R -3","-R 3","148","","","","- C48.5 H64.5 B2 F2 Fe N6 O10 P2 S2 -","- C42.5 H50.5 B2 F2 Fe N6 O10 P2 S2 -","- C765 H909 B36 F36 Fe18 N108 O180 P36 S36 -","18","","","Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5328","5333","10.1039/c6dt00164e","","","1.54184","CuKα","","0.0714","0.0635","","","0.1746","0.182","","","","","","1.098","","","","has coordinates,has disorder","181676","2020-10-21","18:00:00",""
"7040352","49.358","0.008","49.358","0.008","11.9179","0.0019","90","","90","","120","","25145","7","77","2","77","","","","","","","","","7","R -3","-R 3","148","ThenilmIrPPy_LN_sq","","","- C113 H88 F12 Ir2 N12 P2 S4 -","- C113 H88 F12 Ir2 N12 P2 S4 -","- C1017 H792 F108 Ir18 N108 P18 S36 -","9","","","Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Laha, Paltan; Panda, Manas Kumar; Kim, Hyung Sik; Patra, Srikanta","Cyclometallated iridium complexes inducing paraptotic cell death like natural products: synthesis, structure and mechanistic aspects.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15122","15136","10.1039/c6dt00929h","","","0.71073","MoKα","","0.1132","0.0588","","","0.1131","0.128","","","","","","1.032","","","","has coordinates,has disorder","188120","2020-10-21","18:00:00",""
"7041480","10.20063","0.00012","10.20063","0.00012","46.3518","0.0006","90","","90","","120","","4176.87","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","R -3","-R 3","148","","","","- C31 H40 Si3 -","- C31 H40 Si3 -","- C186 H240 Si18 -","6","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0386","0.0378","","","0.1042","0.105","","","","","","1.075","","","","has coordinates","191615","2020-10-21","18:00:00",""
"7041582","17.5632","0.0007","17.5632","0.0007","17.7092","0.0009","90","","90","","120","","4730.8","0.4","173","2","173","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H79.76 Cl6 Cu6 N12 S6 -","- C42 H79.764 Cl6 Cu6 N12 S6 -","- C126 H239.292 Cl18 Cu18 N36 S18 -","3","","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","1.54184","CuKα","","0.0548","0.0513","","","0.1342","0.1382","","","","","","1.084","","","","has coordinates,has disorder","191616","2020-10-21","18:00:00",""
"7041625","23.2777","0.001","23.2777","0.001","25.4877","0.0006","90","","90","","120","","11960.3","0.8","100.01","0.1","100.01","0.1","","","","","","","","3","R -3","-R 3","148","","","","- C24 H21.96 Si -","- C24 H21.9635 Si -","- C576 H527.124 Si24 -","24","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0813","0.0625","","","0.1727","0.1847","","","","","","1.063","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041629","20.81418","0.00009","20.81418","0.00009","32.64138","0.00014","90","","90","","120","","12246.7","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","R -3","-R 3","148","","","","- C42 H30 F16 Si4 -","- C42 H30 F16 Si4 -","- C504 H360 F192 Si48 -","12","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0356","0.0355","","","0.101","0.1011","","","","","","1.062","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041637","23.2278","0.0006","23.2278","0.0006","25.4534","0.0007","90","","90","","120","","11893","0.5","100","0.3","100","0.3","","","","","","","","4","R -3","-R 3","148","","","","- C24 H21 F Si -","- C24 H21 F Si -","- C576 H504 F24 Si24 -","24","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0527","0.0466","","","0.1207","0.1248","","","","","","1.038","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041679","26.888","0.003","26.888","0.003","7.2385","0.0007","90","","90","","120","","4532.1","0.8","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C14 H16 Cd2 N2 O8 -","- C14 H16 Cd2 N2 O8 -","- C126 H144 Cd18 N18 O72 -","9","","","Zheng, Tian-Tian; Zhao, Jiao; Fang, Zhou-Wen; Li, Meng-Ting; Sun, Chun-Yi; Li, Xiao; Wang, Xin-Long; Su, Zhong-Min","A luminescent metal organic framework with high sensitivity for detecting and removing copper ions from simulated biological fluids.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2456","2461","10.1039/c6dt04630d","","","0.71073","MoKα","","0.0509","0.0409","","","0.1128","0.1184","","","","","","1.066","","","","has coordinates,has disorder","193780","2020-10-21","18:00:00",""
"7041725","43.0624","0.0008","43.0624","0.0008","12.2847","0.0002","90","","90","","120","","19728.4","0.6","150","0.1","150","0.1","","","","","","","","7","R -3","-R 3","148","","","","- C42.42 H44.42 Co I N8.08 O4 U -","- C42.4167 H44.4167 Co I N8.0833 O4 U -","- C763.501 H799.501 Co18 I18 N145.499 O72 U18 -","18","","","Chatelain, Lucile; Tuna, Floriana; Pécaut, Jacques; Mazzanti, Marinella","Synthesis and SMM behaviour of trinuclear versus dinuclear 3d-5f uranyl(v)-cobalt(ii) cation-cation complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5498","5502","10.1039/c6dt04558h","","","0.71073","MoKα","","0.0474","0.0367","","","0.0854","0.0901","","","","","","1.078","","","","has coordinates,has disorder","196405","2020-10-21","18:00:00",""
"7043772","61.727","0.006","61.727","0.006","12.5925","0.0018","90","","90","","120","","41552","8","150.02","","150.02","","","","","","","","","5","R -3","-R 3","148","","","","- C119 H159 La6 N30 O13 -","- C114 H152 La6 N28 O13 -","- C1026 H1368 La54 N252 O117 -","9","","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0642","0.0525","","","0.149","0.1549","","","","","","1.055","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043827","28.0964","0.0016","28.0964","0.0016","24.9467","0.0014","90","","90","","120","","17054.7","1.7","130","2","130","","","","","","","","","5","R -3","-R 3","148","","","","- C30 H48 Cl2 Co N4 -","- C30 H48 Cl2 Co N4 -","- C540 H864 Cl36 Co18 N72 -","18","","","Iannuzzi, Theresa E.; Gao, Yafei; Baker, Tessa M.; Deng, Liang; Neidig, Michael L.","Magnetic circular dichroism and density functional theory studies of electronic structure and bonding in cobalt(II)-N-heterocyclic carbene complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01748K","","","0.71073","MoKα","","0.0574","0.0397","","","0.1056","0.1142","","","","","","1.06","","","","has coordinates,has disorder","199336","2020-10-21","18:00:00",""
"7043869","19.8301","0.0009","19.8301","0.0009","19.3402","0.0008","90","","90","","120","","6586.3","0.5","150","2","150","2","","","","","","","","4","R -3","-R 3","148","","","","- C48 H27 As O -","- C48 H27 As O -","- C288 H162 As6 O6 -","6","","","Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R.","Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01953J","","","0.71073","MoKα","","0.0789","0.0466","","","0.1071","0.1174","","","","","","1.076","","","","has coordinates","199449","2020-10-21","18:00:00",""
"7043870","19.6411","0.0011","19.6411","0.0011","19.5128","0.001","90","","90","","120","","6519","0.6","150","2","150","2","","","","","","","","4","R -3","-R 3","148","","","","- C48 H27 O1.5 P -","- C48 H27 O1.4998 P -","- C288 H162 O8.9988 P6 -","6","","","Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R.","Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01953J","","","0.71073","MoKα","","0.0924","0.0622","","","0.1701","0.1865","","","","","","1.04","","","","has coordinates,has disorder","199449","2020-10-21","18:00:00",""
"7044162","13.4995","0.0007","13.4995","0.0007","25.8633","0.0014","90","","90","","120","","4081.8","0.4","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","","","- C44 H78 Co N12 O6 S2 -","- C44 H77.9994 Co N12 O6 S2 -","- C132 H233.998 Co3 N36 O18 S6 -","3","","","Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation","Dalton Trans.","2017","","","","","10.1039/C7DT02604H","","","0.71073","MoKα","","0.0464","0.0441","","","0.1157","0.1176","","","","","","1.056","","","","has coordinates,has disorder","200574","2020-10-21","18:00:00",""
"7044219","49.226","0.007","49.226","0.007","13.22","0.003","90","","90","","120","","27743","8","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","","","- C44 H46 B4 N24 O4 Y2 -","- C44 H46 B4 N24 O4 Y2 -","- C792 H828 B72 N432 O72 Y36 -","18","","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","","0.7108","Synchrotron","","0.1118","0.0576","","","0.1335","0.1547","","","","","","1.035","","","","has coordinates","200874","2020-10-21","18:00:00",""
"7044580","37.307","0.002","37.307","0.002","13.0641","0.0007","90","","90","","120","","15746.7","1.5","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- H13 I0.5 O37 W9 -","- H13 I0.5 O37 W9 -","- H234 I9 O666 W162 -","18","","","Zhang, Fuqiang; Gao, Jin-Ping; Yan, Li-Kai; Guan, Wei; Yao, Ru-Xin; Zhang, Xian-Ming","Unveil the Relative Stability and Proton Binding of Non-Classical Wells-Dawson Isomers of [(NaF6)W18O54(OH)2]7‒ and [(SbO6)W18O54(OH)2]9‒: A DFT Study","Dalton Trans.","2017","","","","","10.1039/C7DT03200E","","","0.71073","MoKα","","0.1041","0.0769","","","0.19","0.2082","","","","","","1.07","","","","has coordinates","202394","2020-10-21","18:00:00",""
"7045145","47.1755","0.0005","47.1755","0.0005","11.69","0.0002","90","","90","","120","","22530.9","0.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","{(EV)12[Pb18Br54][Pb6.5Br19]}n","{(EV)12[Pb18Br54][Pb6.5Br19]}n","","- C168 H216 Br73 N24 Pb24.5 -","- C168 H216 Br73 N24 Pb24.5 -","- C504 H648 Br219 N72 Pb73.5 -","3","","","Sun, Cai; Du, Ming-Xiu; Xu, Jian-Gang; Mao, Fei-Fei; Wang, Ming-Sheng; Guo, Guo-Cong","A nanowire array with two types of bromoplumbate chains and high anisotropic conductance","Dalton Transactions","2018","","","","","10.1039/C7DT03679E","","","1.54178","CuKα","","0.0638","0.0501","","","0.1287","0.1385","","","","","","1.129","","","","has coordinates","204505","2020-10-21","18:00:00",""
"7045501","16.5393","0.0006","16.5393","0.0006","21.597","0.002","90","","90","","120","","5116.3","0.5","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C54 H42 Cd N14 -","- C54 H42 Cd N14 -","- C162 H126 Cd3 N42 -","3","","","Fu, Hong-Ru; Zhao, Ying; zhou, zhan; Yang, Xiao-Gang; ma, lufang","Neutral ligand TIPA-based two 2D metal-organic frameworks: ultrahigh selectivity of C2H2/CH4 and efficient sensing and sorption of Cr(VI)","Dalton Transactions","2018","","","","","10.1039/C8DT00206A","","","0.71073","MoKα","","0.1174","0.0941","","","0.2104","0.2252","","","","","","1.124","","","","has coordinates","206005","2020-10-21","18:00:00",""
"7045546","47.4786","0.0014","47.4786","","11.5392","0.0004","90","","90","","120","","22526.9","1","150","","150","","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C36 H37 Cl2 Dy F9 N5 O14 S3 -","- C36 H37 Cl2 Dy F9 N5 O14 S3 -","- C648 H666 Cl36 Dy18 F162 N90 O252 S54 -","18","","","Selvanathan, Pramila; Dorcet, Vincent; Roisnel, Thierry; Bernot, Kevin; Huang, Gang; Le Guennic, Boris; Norel, Lucie; Rigaut, Stephane","Trans to cis photo-isomerization in merocyanine dysprosium and yttrium complexes","Dalton Transactions","2018","","","","","10.1039/C8DT00299A","","x-ray","0.71073","MoKα","","0.0479","0.0437","","","0.119","0.1223","","","","","","1.034","","","","has coordinates","206225","2020-10-21","18:00:00",""
"7045547","47.523","0.004","47.523","","11.4949","0.0012","90","","90","","120","","22482","3","150","","150","","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C35 H33 Cl2 F6 N5 O11 S2 Y -","- C35 H33 Cl2 F6 N5 O11 S2 Y -","- C630 H594 Cl36 F108 N90 O198 S36 Y18 -","18","","","Selvanathan, Pramila; Dorcet, Vincent; Roisnel, Thierry; Bernot, Kevin; Huang, Gang; Le Guennic, Boris; Norel, Lucie; Rigaut, Stephane","Trans to cis photo-isomerization in merocyanine dysprosium and yttrium complexes","Dalton Transactions","2018","","","","","10.1039/C8DT00299A","","x-ray","0.71073","MoKα","","0.2503","0.0856","","","0.1662","0.2248","","","","","","0.948","","","","has coordinates","206225","2020-10-21","18:00:00",""
"7045868","14.6131","0.0003","14.6131","0.0003","37.2857","0.0009","90","","90","","120","","6895.4","0.3","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C79 H100 Cl4 Cr2 N12 Ni5 O35 -","- C72 H72 Cl4 Cr1.9998 N12 Ni5.0002 O28 -","- C216 H216 Cl12 Cr5.9994 N36 Ni15.0006 O84 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","","0.71073","MoKα","","0.0779","0.0548","","","0.1512","0.1752","","","","","","1.086","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7045869","14.4962","0.0005","14.4962","0.0005","38.022","0.002","90","","90","","120","","6919.5","0.5","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C80 H104 Al2 Cl4 N12 O36 Zn5 -","- C72 H72 Al1.9998 Cl4 N12 O28 Zn5.0002 -","- C216 H216 Al5.9994 Cl12 N36 O84 Zn15.0006 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","x-ray","0.71073","MoKα","","0.0849","0.0647","","","0.1384","0.1459","","","","","","1.091","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7045870","14.5316","0.0001","14.5316","0.0001","37.926","0.0009","90","","90","","120","","6935.77","0.18","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C81 H108 Al2 Cl4 N12 Ni5 O37 -","- C72 H72 Al1.9998 Cl4 N12 Ni5.0002 O28 -","- C216 H216 Al5.9994 Cl12 N36 Ni15.0006 O84 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","x-ray","1.54178","CuKα","","0.0838","0.0818","","","0.2373","0.2395","","","","","","1.134","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7045871","14.592","0.0003","14.592","0.0003","37.7623","0.0014","90","","90","","120","","6963.4","0.3","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C81 H108 Cl4 Cr2 N12 O37 Zn5 -","- C72 H72 Cl4 Cr1.9998 N12 O28 Zn5.0002 -","- C216 H216 Cl12 Cr5.9994 N36 O84 Zn15.0006 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","x-ray","0.71073","MoKα","","0.0721","0.066","","","0.1412","0.1438","","","","","","1.15","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7047067","26.968","0.0016","26.968","0.0016","14.961","0.002","90","","90","","120","","9423","1.5","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C23 H26 B Ir N4 -","- C23 H26 B Ir N4 -","- C414 H468 B18 Ir18 N72 -","18","","","Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard","Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles","Dalton Transactions","2018","","","","","10.1039/C8DT02311E","","","0.71073","MoKα","","0.1018","0.0661","","","0.1165","0.1283","","","","","","1.129","","","","has coordinates","209151","2020-10-21","18:00:00",""
"7047231","23.433","0.003","23.433","0.003","15.332","0.005","90","","90","","120","","7291","3","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","Tris[5-(4-allyloxytetrafluorophenyl)diprrin]indium(III)","","- C54 H33 F12 In N6 O3 -","- C54 H33 F12 In N6 O3 -","- C324 H198 F72 In6 N36 O18 -","6","","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","0.71073","MoKα","","0.0533","0.0308","","","0.0591","0.0656","","","","","","1.027","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047233","24.002","0.0011","24.002","0.0011","15.1852","0.0009","90","","90","","120","","7576.1","0.7","100","2","100.01","","","","","","","","","6","R -3","-R 3","148","","{Tris[5-(4-butyloxytetrafluorophenyl)dipyrrin]}-iron(III)","","- C57 H45 F12 Fe N6 O3 -","- C57 H45 F12 Fe N6 O3 -","- C342 H270 F72 Fe6 N36 O18 -","6","","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","1.54178","CuKα","","0.0739","0.0605","","","0.1562","0.1686","","","","","","1.056","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047235","24.0883","0.001","24.0883","0.001","15.2527","0.0007","90","","90","","120","","7664.6","0.6","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","{Tris[5-(4-butyloxytetrafluorophenyl)dipyrrin]}-gallium(III)","","- C57 H45 F12 Ga N6 O3 -","- C57 H45 F12 Ga N6 O3 -","- C342 H270 F72 Ga6 N36 O18 -","6","","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","0.71073","MoKα","","0.0528","0.0341","","","0.071","0.0778","","","","","","1.046","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7048359","39.2116","0.0008","39.2116","0.0008","11.724","0.0003","90","","90","","120","","15611.2","0.6","100","0.1","100","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C36 H88 Cl4 Co9 N6 O36 -","- C36 H64 Cl4 Co9 N6 O26 -","- C324 H576 Cl36 Co81 N54 O234 -","9","","","Collet, Alexandra; Wilson, Claire; Murrie, Mark","Microwave−assisted synthesis: from a mononuclear {CoII} complex to {CoII9} solvomorphs","Dalton Transactions","2018","","","","","10.1039/C8DT04557G","","x-ray","0.71073","MoKα","K-L~3~","0.0702","0.0538","","","0.1297","0.1385","","","","","","1.005","","","","has coordinates","212566","2020-10-21","18:00:00",""
"7048713","34.968","0.002","34.968","0.002","6.2485","0.0003","90","","90","","120","","6616.8","0.6","150","2","150","","","","","","","","","5","R -3","-R 3","148","","","","- C22 H38 N4 O4 P4 -","- C22 H38 N4 O4 P4 -","- C198 H342 N36 O36 P36 -","9","","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.0655","0.0483","","","0.1074","0.1201","","","","","","1.039","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7049156","23.4039","0.0002","23.4039","0.0002","24.9083","0.0005","90","","90","","120","","11815.5","0.3","100","","100","","","","","","","","","5","R -3","-R 3","148","","","","- C90 H112 N O4 Ti -","- C89.9997 H111.999 N O3.9999 Ti -","- C539.998 H671.996 N6 O23.9994 Ti6 -","6","","","Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung","First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications","Dalton Transactions","2019","","","","","10.1039/C9DT00456D","","","0.71073","MoKα","","0.1242","0.0784","","","0.2231","0.2617","","","","","","1.059","","","","has coordinates,has disorder","213865","2020-10-21","18:00:00",""
"7054489","19.8873","0.0006","19.8873","0.0006","14.4048","0.0004","90","","90","","120","","4933.9","0.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C162 H306 Cl18 N36 -","18","","","Maton, C.; Van Hecke, K.; Stevens, C. V.","Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure","New J. Chem.","2015","39","1","461","","10.1039/C4NJ01301H","","","1.5418","CuKα","","0.0522","0.0399","","","0.0934","0.0981","","","","","","1.031","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054498","28.3533","0.0011","28.3533","0.0011","15.9781","0.0007","90","","90","","120","","11124.1","0.8","115","","115","","","","","","","","","4","R -3","-R 3","148","","","","- C29.33 H26 N3 O6.17 -","- C29.3333 H25.1667 N3 O6.1667 -","- C528 H453.001 N54 O111.001 -","18","","","Haddad, Saoussen; Boudriga, Sarra; Akhaja, Tarunkumar Nanjibhai; Raval, Jignesh Priyakant; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Rajani, Dhanji","A strategic approach to the synthesis of functionalized spirooxindole pyrrolidine derivatives: in vitro antibacterial, antifungal, antimalarial and antitubercular studies","New J. Chem.","2015","39","1","520","","10.1039/C4NJ01008F","","x-ray","0.71073","MoKα","","0.0445","0.0383","","","0.1005","0.1046","","","","","","1.036","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054597","46.1591","0.0018","46.1591","0.0018","13.9447","0.0003","90","","90","","120","","25730.9","1.5","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C51 H76 Cl2 P2 Ru -","- C51 H76 Cl2 P2 Ru -","- C918 H1368 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","1.5418","CuKα","","0.0932","0.0628","","","0.1603","0.1812","","","","","","0.955","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054601","47.1514","0.0015","47.1514","0.0015","13.6692","0.0003","90","","90","","120","","26318.6","1.3","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C53 H80 Cl2 P2 Ru -","- C53 H80 Cl2 P2 Ru -","- C954 H1440 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.0967","0.072","","","0.1589","0.1715","","","","","","1.049","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054602","46.042","0.0017","46.042","0.0017","14.0313","0.0003","90","","90","","120","","25759.5","1.5","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C55 H78 Cl2 P2 Ru -","- C55 H78 Cl2 P2 Ru -","- C990 H1404 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.1289","0.0968","","","0.2133","0.2263","","","","","","1.032","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054603","45.479","0.003","45.479","0.003","14.179","0.0005","90","","90","","120","","25398","3","100","0.1","100","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C51 H75 Cl2 F P2 Ru -","- C51 H75 Cl2 F P2 Ru -","- C918 H1350 Cl36 F18 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.1537","0.0916","","","0.1781","0.2086","","","","","","0.962","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054884","18.1422","0.0004","18.1422","0.0004","25.8426","0.0005","90","","90","","120","","7366.3","0.3","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Cl6 N9 Zn3 -","- C45 H33 Cl6 N9 Zn3 -","- C270 H198 Cl36 N54 Zn18 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","1.54184","CuKα","","0.0608","0.0516","","","0.1505","0.1574","","","","","","1.072","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054885","16.1561","0.0008","16.1561","0.0008","31.8535","0.0014","90","","90","","120","","7200.5","0.6","160","10","160","10","","","","","","","","6","R -3","-R 3","148","","","","- C92 H68 Cd6 Cl18 N18 O0.5 -","- C92 H68 Cd6 Cl18 N18 O0.5 -","- C276 H204 Cd18 Cl54 N54 O1.5 -","3","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","x-ray","1.54184","CuKα","","0.1087","0.0766","","","0.1987","0.2267","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054886","17.976","0.002","17.976","0.002","27.338","0.003","90","","90","","120","","7650.4","1.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Br8 Hg4 N9 -","- C45 H33 Br8 Hg4 N9 -","- C270 H198 Br48 Hg24 N54 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","0.71073","MoKα","","0.1625","0.0791","","","0.1766","0.2219","","","","","","1.045","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054887","18.3083","0.0007","18.3083","0.0007","29.1307","0.0008","90","","90","","120","","8456.2","0.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Hg4 I8 N9 -","- C45 H33 Hg4 I8 N9 -","- C270 H198 Hg24 I48 N54 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","0.71073","MoKα","","0.0899","0.0516","","","0.118","0.1379","","","","","","1.03","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7057423","36.6338","0.0019","36.6338","0.0019","6.4707","0.0004","90","","90","","120","","7520.5","0.7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C15 H19 Br2 N3 O -","- C15 H19 Br2 N3 O -","- C270 H342 Br36 N54 O18 -","18","","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","x-ray","1.54184","CuKα","","0.0384","0.0363","","","0.0881","0.0894","","","","","","1.066","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7057869","32.2276","0.0007","32.2276","0.0007","13.8386","0.0003","90","","90","","120","","12447.4","0.5","298","2","298.15","","","","","","","","","5","R -3","-R 3","148","","","","- C44 H60 Co4 N16 O8 -","- C44 H60 Co4 N16 O8 -","- C396 H540 Co36 N144 O72 -","9","","","Das, Avijit; Goswami, Soumyabrata; Ghosh, Ashutosh","Rare azido and hydroxido bridged tetranuclear Co(II) complexes of a polynucleating Mannich base ligand with defect dicubane core: Structures, magnetism and phenoxazinone synthase like activity","New Journal of Chemistry","2018","","","","","10.1039/C8NJ04750B","","","0.71073","MoKα","","0.0518","0.0435","","","0.1287","0.1406","","","","","","1.074","","","","has coordinates,has disorder","211719","2020-10-21","18:00:00",""
"7108619","33.6525","0.0006","33.6525","0.0006","4.80132","0.00011","90","","90","","120","","4708.97","0.16","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C144 H90 Cu9 N36 O36 -","9","","","Chris S. Hawes; Ravichandar Babarao; Matthew R. Hill; Keith F. White; Brendan F. Abrahams; Paul E. Kruger","Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer","Chem.Commun.","2012","48","","11558","","10.1039/c2cc37453f","","","1.5418","CuKα","","0.0396","0.0379","","","0.1331","0.1348","","","","","","1.194","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108620","33.6966","0.0008","33.6966","0.0008","4.78817","0.00013","90","","90","","120","","4708.4","0.2","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C144 H90 Cu9 N36 O36 -","9","","","Chris S. Hawes; Ravichandar Babarao; Matthew R. Hill; Keith F. White; Brendan F. Abrahams; Paul E. Kruger","Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer","Chem.Commun.","2012","48","","11558","","10.1039/c2cc37453f","","","1.5418","CuKα","","0.0284","0.0265","","","0.0697","0.0711","","","","","","1.052","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7110090","31.498","0.004","31.498","0.004","81.077","0.012","90","","90","","120","","69662","16","100","2","100.02","","","","","","","","","6","R -3","-R 3","148","","","","- C258 H414 B240 Cu24 N6 O120 -","- C258 H414 B240 Cu24 N6 O120 -","- C774 H1242 B720 Cu72 N18 O360 -","3","","","Daniel J. Clingerman; Robert D. Kennedy; Joseph E. Mondloch; Amy A. Sarjeant; Joseph T. Hupp; Omar K. Farha; Chad A. Mirkin","An exceptionally high boron content supramolecular cuboctahedron","Chem.Commun.","2013","49","","11485","","10.1039/c3cc44173c","","","1.54178","CuKα","","0.1088","0.087","","","0.2878","0.3009","","","","","","1.119","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7115755","23.567","0.003","23.567","0.003","12.095","0.0014","90","","90","","120","","5817.6","1.2","103","2","103","2","","","","","","","","3","R -3","-R 3","148","","","","- C32 H34 N2 -","- C32 H34 N2 -","- C288 H306 N18 -","9","","","Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo","Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane","Chem.Commun.","2014","50","","12378","","10.1039/C4cc05886K","","","0.71073","","","0.1762","0.0875","","","0.239","0.304","","","","","","1.074","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115756","23.7045","0.0015","23.7045","0.0015","11.91","0.0008","90","","90","","120","","5795.7","0.6","103","2","103","2","","","","","","","","3","R -3","-R 3","148","","","","- C32 H36 N2 -","- C32 H36 N2 -","- C288 H324 N18 -","9","","","Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo","Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane","Chem.Commun.","2014","50","","12378","","10.1039/C4cc05886K","","","0.71073","MoKα","","0.1208","0.0635","","","0.1428","0.172","","","","","","1.022","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7117019","17.343","0.0007","17.343","0.0007","31.6652","0.0019","90","","90","","120","","8248.2","0.7","298.15","","","","","","","","","","","7","R -3","-R 3","148","","","","- C36 H24 Co3 Mn3 N17 Na O19 -","- C36 H24 Co3 Mn3 N17 Na O19 -","- C216 H144 Co18 Mn18 N102 Na6 O114 -","6","","","Jiang Liu; Mei Qu; Rodolphe Clerac; Xian Ming Zhang","A two-dimensional honeycomb coordination network based on fused triacontanuclear heterometallic {Co12Mn18} wheels","Chem.Commun.","2015","51","","7356","","10.1039/C5cc01199J","","","0.71073","MoKα","","0.119331","0.086468","","","","0.26782","","","","","","1.01745","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117210","17.6408","0.0012","17.6408","0.0012","44.355","0.003","90","","90","","120","","11953.9","1.4","100","","100.15","","","","","","","","","7","R -3","-R 3","148","","tris[4,4':2',2"":4"",4'""-quaterpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate diethyl ether solvate","","- C67.99 H56.99 F11.99 N14 O P2 Ru -","- C67.992 H56.985 F11.988 N13.998 O0.999 P1.998 Ru -","- C407.952 H341.91 F71.928 N83.988 O5.994 P11.988 Ru6 -","6","","","E. Rousset; D. Chartrand; I. Ciofini; V. Marvaud; G. S. Hanan","Red-light-driven photocatalytic hydrogen evolution using a ruthenium quaterpyridine complex","Chem.Commun.","2015","51","","9261","","10.1039/C5cc02124C","","x-ray","1.34139","GaKα","","0.1188","0.0872","","","0.2204","0.2673","","","","","","1.104","","","","has coordinates,has disorder","137325","2020-10-21","18:00:00",""
"7117766","35.4661","0.0016","35.4661","0.0016","26.194","0.0017","90","","90","","120","","28534","3","150","0.14","150","0.14","","","","","","","","6","R -3","-R 3","148","","","","- C168 H162 Ag3 F18 N18 P3 -","- C168 H162 Ag3 F18 N18 P3 -","- C1008 H972 Ag18 F108 N108 P18 -","6","","","Mejuto, Carmen; Guisado-Barrios, Gregorio; Gusev, Dmitry; Peris, Eduardo","First homoleptic MIC and heteroleptic NHC-MIC coordination cages from 1,3,5-triphenylbenzene-bridged tris-MIC and tris-NHC ligands.","Chemical communications (Cambridge, England)","2015","51","73","13914","13917","10.1039/c5cc05114b","","x-ray","1.54184","CuKα","","0.1282","0.0922","","","0.2561","0.2886","","","","","","1.054","","","","has coordinates,has disorder","154898","2020-10-21","18:00:00",""
"7118344","23.1209","0.0012","23.1209","0.0012","27.281","0.002","90","","90","","120","","12629.9","1.3","100","2","99.99","","","","","","","","","7","R -3","-R 3","148","","","","- C184 H162 Co6 Mn6 N24 O32 S8 -","- C168 H120 Co6 Mn6 N24 O24 -","- C504 H360 Co18 Mn18 N72 O72 -","3","","","Jeon, Ie-Rang; David Harris, T.","An S = 12 semiquinoid radical-bridged Mn6 wheel complex assembled from an asymmetric redox-active bridging ligand.","Chemical communications (Cambridge, England)","2016","52","5","1006","1008","10.1039/c5cc08482b","","","1.54178","CuKα","","0.1767","0.0905","","","0.2452","0.2923","","","","","","0.843","","","","has coordinates,has disorder","173534","2020-10-21","18:00:00",""
"7120318","18.394","0.0007","18.394","0.0007","33.9598","0.0012","90","","90","","120","","9950.6","0.6","100","2","100.02","","","","","","","","","6","R -3","-R 3","148","","","","- C67 H87 Al K N6 P3 -","- C67 H87 Al K N6 P3 -","- C402 H522 Al6 K6 N36 P18 -","6","","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.1055","0.0562","","","0.108","0.1171","","","","","","1.069","","","","has coordinates","198099","2020-10-21","18:00:00",""
"7120357","26.055","0.003","26.055","0.003","14.824","0.0013","90","","90","","120","","8715.2","1.6","360","2","360.01","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.1214","0.0554","","","0.0957","0.1128","","","","","","1.006","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120358","25.68","0.004","25.68","0.004","14.745","0.003","90","","90","","120","","8421","3","315","2","315.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2475","0.0584","","","0.1255","0.1962","","","","","","0.914","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120359","25.963","0.005","25.963","0.005","14.808","0.003","90","","90","","120","","8644","3","330","2","330.1","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2593","0.0569","","","0.1189","0.1888","","","","","","0.941","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120360","25.585","0.004","25.585","0.004","14.734","0.003","90","","90","","120","","8353","3","310","2","310.09","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2453","0.058","","","0.1262","0.2007","","","","","","0.927","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120361","25.473","0.004","25.473","0.004","14.735","0.002","90","","90","","120","","8280","2","279.16","","279.16","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2325","0.058","","","0.1255","0.1958","","","","","","0.932","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120362","25.514","0.004","25.514","0.004","14.737","0.003","90","","90","","120","","8308","3","295","2","295.12","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2422","0.0587","","","0.1247","0.1967","","","","","","0.925","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120363","25.999","0.005","25.999","0.005","14.815","0.003","90","","90","","120","","8673","3","340","2","340.13","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2574","0.055","","","0.1092","0.1742","","","","","","0.912","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120364","25.94","0.004","25.94","0.004","14.801","0.003","90","","90","","120","","8625","3","325","2","325.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2518","0.0576","","","0.1237","0.1941","","","","","","0.926","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120365","25.543","0.004","25.543","0.004","14.731","0.002","90","","90","","120","","8324","2","305","2","305.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2417","0.0567","","","0.1196","0.1923","","","","","","0.931","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120366","25.5","0.004","25.5","0.004","14.736","0.002","90","","90","","120","","8298","2","290","2","290.21","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2371","0.0591","","","0.1298","0.2034","","","","","","0.935","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120367","25.3984","0.0013","25.3984","0.0013","14.7341","0.0013","90","","90","","120","","8231.3","0.9","250","","250","","","","","","","","","5","R -3","-R 3","148","","NP53E3","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.0455","0.0336","","","0.0821","0.0853","","","","","","1.039","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120368","26.01","0.005","26.01","0.005","14.817","0.003","90","","90","","120","","8681","3","345","2","345.13","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.262","0.0538","","","0.1051","0.1683","","","","","","0.928","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120369","25.9","0.004","25.9","0.004","14.79","0.002","90","","90","","120","","8592","2","320","2","320.12","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2514","0.0612","","","0.1299","0.1988","","","","","","0.93","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120370","25.525","0.004","25.525","0.004","14.733","0.002","90","","90","","120","","8313","2","300","2","300.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2427","0.0561","","","0.1126","0.1772","","","","","","0.939","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120371","25.986","0.005","25.986","0.005","14.814","0.003","90","","90","","120","","8663","3","335","2","335.12","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2665","0.0584","","","0.1205","0.1916","","","","","","0.936","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120622","29.2848","0.0009","29.2848","0.0009","23.2122","0.0005","90","","90","","120","","17239.8","0.8","100.01","0.1","100.01","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C74 H118 Ca2 I2 N4 O4 -","- C74 H118 Ca2 I2 N4 O4 -","- C666 H1062 Ca18 I18 N36 O36 -","9","","","Causero, Andrea; Elsen, Holger; Ballmann, Gerd; Escalona, Ana; Harder, Sjoerd","Calcium stilbene complexes: structures and dual reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC05792J","","x-ray","0.71073","MoKα","","0.065","0.0441","","","0.0848","0.0984","","","","","","1.116","","","","has coordinates","200256","2020-10-21","18:00:00",""
"7121005","13.2938","0.0003","13.2938","0.0003","31.3861","0.0008","90","","90","","120","","4803.6","0.2","85","","85","","","","","","","","","5","R -3","-R 3","148","","","","- C36 H33 Cl Cu N7 -","- C36 H33 Cl Cu N7 -","- C216 H198 Cl6 Cu6 N42 -","6","","","Dahl, E. W.; Dong, H. T.; Szymczak, N. K.","Phenylamino derivatives of tris(2-pyridylmethyl)amine: hydrogen-bonded peroxodicopper complexes","Chemical Communications","2018","","","","","10.1039/C7CC08619A","","","1.54184","CuKα","","0.0676","0.0603","","","0.1591","0.1667","","","","","","1.063","","","","has coordinates","204299","2020-10-21","18:00:00",""
"7121141","28.9848","0.0019","28.9848","0.0019","5.5266","0.0007","90","","90","","120","","4021","0.6","273","2","273.15","","","","","","","","","6","R -3","-R 3","148","","","","- C2.5 H4.25 Mn0.5 N0.5 O2.75 P0.5 -","- C2.5 H3.248 Mn0.5 N0.5 O2.5 P0.5 -","- C90 H116.928 Mn18 N18 O90 P18 -","36","","","Yang, Yang; Gao, Chaoying; Tian, Hong-Rui; Ai, Jing; Min, Xue; Sun, Zhong-Ming","A highly stable MnII phosphonate as highly efficient catalyst for CO2 fixation under ambient conditions","Chemical Communications","2018","","","","","10.1039/C7CC09867G","","","0.71073","MoKα","","0.0668","0.0574","","","0.1628","0.1686","","","","","","1.088","","","","has coordinates,has disorder","205233","2020-10-21","18:00:00",""
"7121550","33.652","0.008","33.652","0.008","8.379","0.002","90","","90","","120","","8218","3","123","2","123","2","","","","","","","","3","R -3","-R 3","148","","","","- C26 H23 B -","- C26 H23 B -","- C468 H414 B18 -","18","","","Ando, Naoki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized B-phenyldibenzoborepin: Impacts of the structural constraint on its electronic properties and Lewis acidity","Chemical Communications","2018","","","","","10.1039/C8CC02837K","","","0.71075","MoKa","","0.0375","0.0338","","","0.0836","0.0865","","","","","","1.036","","","","has coordinates","207433","2020-10-21","18:00:00",""
"7121900","28.7013","0.0015","28.7013","0.0015","6.9232","0.0004","90","","90","","120","","4939","0.5","295.26","0.1","295.26","0.1","","","","","","","","4","R -3","-R 3","148","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C216 H216 N36 O36 -","18","","","Bao, Wen; Wang, Jun-Qi; Xu, Xuetao; Zhang, Bang-Hong; Liu, Wei-Ting; Lei, Lin-Sheng; Liang, Huan; Zhang, Kun; Wang, Shao-Hua","Copper-Catalyzed Cyclization of 2-Cyanobenzaldehydes and 2-Isocyanoacetates: an Efficient Strategy for the Synthesis of Substituted 1-Aminoisoquinolines","Chemical Communications","2018","","","","","10.1039/C8CC04733B","","","0.71073","MoKα","","0.1126","0.057","","","0.1047","0.1368","","","","","","1.05","","","","has coordinates","208725","2020-10-21","18:00:00",""
"7122876","33.6548","0.0008","33.6548","0.0008","24.819","0.0006","90","","90","","120","","24345","1","100","","100","","","","","","","","","6","R -3","-R 3","148","","[MoIV(CN)8]6[Ni(L)]12(H2O)6","","- C38 H46 Mo N16 Ni2 O -","- C38 H46 Mo N16 Ni2 O -","- C684 H828 Mo18 N288 Ni36 O18 -","18","","","Kempe, David Kenneth; Dolinar, Brian; Vignesh, Kuduva R.; Woods, Toby; Saber, Mohamed R.; Dunbar, Kim R.","A cyanide-bridged wheel featuring a seven-coordinate Mo(III) center","Chemical Communications","2019","","","","","10.1039/C8CC09373C","","x-ray","1.54178","CuKα","","0.0418","0.0346","","","0.0863","0.0894","","","","","","1.051","","","","has coordinates","213212","2020-10-21","18:00:00",""
"7123263","12.1176","0.0002","12.1176","0.0002","44.8866","0.0008","90","","90","","120","","5707.96","0.17","200","0.1","200","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C78 H90 Li6 O6 Si6 -","- C78 H90 Li6 O6 Si6 -","- C234 H270 Li18 O18 Si18 -","3","","","Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes","Chemical Communications","2019","","","","","10.1039/C9CC02315A","","x-ray","1.54184","CuKα","","0.0386","0.0366","","","0.1039","0.1063","","","","","","1.071","","","","has coordinates,has disorder","214478","2020-10-21","18:00:00",""
"7155317","31.334","0.004","31.334","0.004","27.064","0.004","90","","90","","120","","23012","5","173.15","","173.15","","","","","","","","","6","R -3","-R 3","148","","","","- C128 H82 F12 N10 O8 P2 -","- C128 H82 F12 N10 O8 P2 -","- C1152 H738 F108 N90 O72 P18 -","9","","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1172","0.1049","","","0.2751","0.2806","","","","","","1.731","","","","has coordinates","190265","2020-10-21","18:00:00",""
"7155953","35.4337","0.0015","35.4337","0.0015","9.6326","0.0004","90","","90","","120","","10473.9","0.8","109.6","","109.6","","","","","","","","","4","R -3","-R 3","148","6H,8H-pyrimido[2,1-a:4,3-a']diisoquinoline-6-thione","","","- C28.33 H30 N2 S -","- C28.3333 H30 N2 S -","- C510 H540 N36 S18 -","18","","","He, Wei; Zhuang, Junpeng; Du, Hongguang; Yang, Zhanhui; Xu, Jiaxi","Stereochemistry and mechanistic insights in the [2t + 2i + 2i] annulations of thioketenes and imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02212C","","","0.7107","MoKα","","0.0575","0.0465","","","0.106","0.1125","","","","","","1.051","","","","has coordinates,has disorder","202400","2020-10-21","18:00:00",""
"7156032","31.822","0.0018","31.822","0.0018","13.3046","0.0005","90","","90","","120","","11667.8","1","170.1","","170.1","","","","","","","","","6","R -3","-R 3","148","","","","- C23 H17 Cl N2 O3 S2 -","- C23 H17 Cl N2 O3 S2 -","- C414 H306 Cl18 N36 O54 S36 -","18","","","Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang","Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02597A","","","0.71073","MoKα","","0.066","0.0515","","","0.1215","0.1335","","","","","","1.024","","","","has coordinates","204211","2020-10-21","18:00:00",""
"7214268","38.394","0.004","38.394","0.004","11.5576","0.0015","90","","90","","120","","14755","3","123","2","123","2","","","","","","","","6","R -3","-R 3","148","","","","- C162 H84 Br12 F30 N18 Zn6 -","- C162 H84 Br12 F30 N18 Zn6 -","- C486 H252 Br36 F90 N54 Zn18 -","3","","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.1008","0.0769","","","0.1903","0.2024","","","","","","1.116","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7223522","38.159","0.003","38.159","0.003","18.7654","0.0013","90","","90","","120","","23664","3","100","","100","","","","","","","","","6","R -3","-R 3","148","","","","- C122 H130 Dy2 N4 Ni2 O24 -","- C118 H118 Dy2 N4 Ni2 O22 -","- C1062 H1062 Dy18 N36 Ni18 O198 -","9","","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0553","0.0408","","","0.1095","0.1157","","","","","","0.992","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223647","21.4709","0.0014","21.4709","0.0014","11.969","0.0011","90","","90","","120","","4778.5","0.6","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 Cl6 N24 O2 -","- C42 H24 Cd6 Cl6 N24 O2 -","- C126 H72 Cd18 Cl18 N72 O6 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0703","0.0435","","","0.0851","0.1011","","","","","","1.087","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223648","22.0601","0.0014","22.0601","0.0014","11.9194","0.0015","90","","90","","120","","5023.4","0.8","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 I6 N24 O -","- C42 H24 Cd6 I6 N24 O0.98 -","- C126 H72 Cd18 I18 N72 O2.94 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0592","0.0473","","","0.1167","0.1262","","","","","","1.049","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7225182","28.6873","0.0009","28.6873","0.0009","15.9087","0.001","90","","90","","120","","11338.2","0.9","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate","","- C144 H156 Co12 N12 O60 -","- C126 H114 Co12 N6 O54 -","- C378 H342 Co36 N18 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","0.71073","MoKα","","0.1194","0.0538","","","0.1141","0.1331","","","","","","0.901","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225186","40.04","0.03","40.04","0.03","3.674","0.003","90","","90","","120","","5101","7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","di(chrysazinato)di-copper(II) N,N'-dimethylformamide solvate","","- C29.33 H15.11 Cu2 N0.44 O8.44 -","- C28 H12 Cu2 O8 -","- C252 H108 Cu18 O72 -","9","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.6889","synchrotron","","0.0528","0.0503","","","0.1297","0.1317","","","","","","1.145","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225190","28.6809","0.0007","28.6809","0.0007","15.8967","0.0004","90","","90","","120","","11324.6","0.5","120.1","0.14","120.1","0.14","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-tetra-cobalt(II) N,N-dimethylformamide solvate","","- C144 H156 N12 Ni12 O60 -","- C126 H114 N6 Ni12 O54 -","- C378 H342 N18 Ni36 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0319","0.0291","","","0.0831","0.0847","","","","","","1.048","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225950","24.304","0.002","24.304","0.002","6.8579","0.0005","90","","90","","120","","3508.1","0.5","119.99","0.14","119.99","0.14","","","","","","","","4","R -3","-R 3","148","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C144 H126 N54 O36 -","18","","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.0713","0.052","","","0.1218","0.1324","","","","","","1.074","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7227333","25.4682","0.0009","25.4682","0.0009","12.316","0.0005","90","","90","","120","","6918.3","0.4","223","0.1","223","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C14 H18 Cl N3 O Se -","- C14 H16 Cl N3 O Se -","- C252 H288 Cl18 N54 O18 Se18 -","18","","","Fang, Yi; Zhu, Zheng-Lin; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Aerobic radical-cascade cycloaddition of isocyanides, selenium and imidamides: facile access to 1,2,4-selenadiazoles under metal-free conditions","Green Chem.","2017","19","7","1613","","10.1039/C6GC03521C","","","0.71073","MoKα","","0.0706","0.0475","","","0.109","0.1206","","","","","","1.05","","","","has coordinates,has disorder","195144","2020-10-21","18:00:00",""
"7227487","49.6795","0.0009","49.6795","0.0009","23.7404","0.0008","90","","90","","120","","50743","2","173","2","173","","","","","","","","","7","R -3","-R 3","148","","","","- C24 H45 N12 Ni2 O42 Si W11 -","- C24 H37 N12 Ni2 O40 Si W11 -","- C432 H666 N216 Ni36 O720 Si18 W198 -","18","","","Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min","A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid","CrystEngComm","2017","19","13","1721","","10.1039/C6CE02420C","","","0.71073","MoKα","","0.0531","0.0379","","","0.1015","0.1077","","","","","","1.116","","","","has coordinates,has disorder","195022","2020-10-21","18:00:00",""
"7228352","20.9938","0.0007","20.9938","0.0007","18.1449","0.0007","90","","90","","120","","6925.8","0.4","173","2","173","","","","","","","","","6","R -3","-R 3","148","","","","- C96 H120 Au2 Cu6 P2 S6 -","- C96 H120 Au2 Cu6 P2 S6 -","- C288 H360 Au6 Cu18 P6 S18 -","3","","","Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou","Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering","RSC Adv.","2017","7","46","28606","","10.1039/C7RA04743F","","","1.54178","CuKα","","0.056","0.0473","","","0.1464","0.155","","","","","","0.916","","","","has coordinates","197131","2020-10-21","18:00:00",""
"7228399","37.196","0.003","37.196","0.003","5.4457","0.0009","90","","90","","120","","6524.9","1.3","250","2","250","2","","","","","","","","4","R -3","-R 3","148","","","","- C26 H32 N6 S2 -","- C26 H32 N6 S2 -","- C234 H288 N54 S18 -","9","","","Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui","Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03121A","","","1.54178","CuKα","","0.0629","0.04","","","0.1075","0.1155","","","","","","1.013","","","","has coordinates,has disorder","197595","2020-10-21","18:00:00",""
"7228692","26.742","0.004","26.742","0.004","78.391","0.016","90","","90","","120","","48549","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 N6 O44 Tb6 -","- C90 H132 N6 O42 Tb6 -","- C1620 H2376 N108 O756 Tb108 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0414","0.0341","","","0.0876","0.0911","","","","","","1.05","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228693","26.842","0.004","26.842","0.004","78.271","0.016","90","","90","","120","","48838","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 Gd6 N6 O44 -","- C90 H132 Gd6 N6 O42 -","- C1620 H2376 Gd108 N108 O756 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0299","0.0283","","","0.0764","0.0775","","","","","","1.013","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228853","16.783","0.008","16.783","0.008","30.325","0.017","90","","90","","120","","7397","6","296.15","","296.15","","","","","","","","","6","R -3","-R 3","148","","","","- C78 H66 Cd3 N12 O20 P2 -","- C78 H66 Cd3 N12 O20 P2 -","- C234 H198 Cd9 N36 O60 P6 -","3","","","Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping","Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation","CrystEngComm","2017","","","","","10.1039/C7CE01227F","","","0.71073","MoKα","","0.0817","0.0589","","","0.1618","0.1715","","","","","","0.962","","","","has coordinates","199539","2020-10-21","18:00:00",""
"7229514","25.3114","0.0006","25.3114","0.0006","14.3685","0.0007","90","","90","","120","","7972.1","0.5","296","2","296.15","","","","","","","","","7","R -3","-R 3","148","","","","- C14 H20 As0.67 Cu Mo6 N12 O20.67 -","- C13.986 H19.98 As0.666667 Cu Mo6 N11.988 O20.6667 -","- C125.874 H179.82 As6 Cu9 Mo54 N107.892 O186 -","9","","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; Wang, Bo","A novel 3D POMOFs based on Wells-Dawson arsenomolybdates with excellent photocatalytic and lithium-ion batteries performance","CrystEngComm","2017","","","","","10.1039/C7CE01734K","","","0.71073","MoKα","","0.0382","0.0304","","","0.0811","0.0881","","","","","","1.051","","","","has coordinates,has disorder","202878","2020-10-21","18:00:00",""
"7230210","33.6175","0.0018","33.6175","0.0018","20.9185","0.0013","90","","90","","120","","20473","2","173.15","","173.15","","","","","","","","","3","R -3","-R 3","148","","","","- C41 H59.33 O12.67 -","- C41 H56 O12.6667 -","- C738 H1008 O228 -","18","","","Payne, Richard M.; Oliver, Clive L.","A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption","CrystEngComm","2018","","","","","10.1039/C8CE00294K","","","0.71073","MoKα","","0.2085","0.1158","","","0.3286","0.3975","","","","","","1.165","","","","has coordinates,has disorder","206743","2020-10-21","18:00:00",""
"7230395","20.3393","0.0003","20.3393","0.0003","23.9935","0.0004","90","","90","","120","","8596","0.2","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O40 P S3 -","- C27 H39 Mo12 O40 P S3 -","- C162 H234 Mo72 O240 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0741","0.0682","","","0.1423","0.1462","","","","","","1.11","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230396","20.1657","0.0006","20.1657","0.0006","24.1757","0.0008","90","","90","","120","","8514.1","0.5","150","0.1","150","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O43 P S3 -","- C27 H39 Mo12 O43 P S3 -","- C162 H234 Mo72 O258 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0894","0.086","","","0.178","0.1797","","","","","","1.159","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230656","41.74","0.004","41.74","0.004","9.9584","0.0014","90","","90","","120","","15025","3","203","","203","2","","","","","","","","5","R -3","-R 3","148","","","","- C16 H13 N O4 Zn -","- C16 H13 N O4 Zn -","- C288 H234 N18 O72 Zn18 -","18","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0419","0.0411","","","0.1282","0.1292","","","","","","1.098","","","","has coordinates","207823","2020-10-21","18:00:00",""
"7230657","42.4897","0.0008","42.4897","0.0008","10.4","0.0004","90","","90","","120","","16260.4","0.8","203","2","203","","","","","","","","","5","R -3","-R 3","148","","","","- C48 H39 N3 O12 Zn3 -","- C48 H39 N3 O12 Zn3 -","- C432 H351 N27 O108 Zn27 -","9","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0708","0.0608","","","0.203","0.214","","","","","","1.09","","","","has coordinates,has disorder","207823","2020-10-21","18:00:00",""
"7230864","15.3596","0.0014","15.3596","","15.3897","0.0013","90","","90","","120","","3144.3","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 I3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0302","0.0277","","","0.0724","0.0745","","","","","","1.077","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230865","15.0363","0.0008","15.0363","0.0008","15.3935","0.0009","90","","90","","120","","3014","0.3","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Cl","","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 Cl3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0363","0.0271","","","0.0672","0.0713","","","","","","1.088","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230866","15.2258","0.001","15.2258","0.001","15.3834","0.0011","90","","90","","120","","3088.5","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Br","","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C18 H108 Br3 Cd9 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0176","0.0148","","","0.034","0.0349","","","","","","1.109","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7231530","18.8612","0.0003","18.8612","0.0003","17.5446","0.0004","90","","90","","120","","5405.21","0.17","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C20 H14 Cu N4 O4 -","- C20 H14 Cu N4 O4 -","- C180 H126 Cu9 N36 O36 -","9","","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0438","0.0394","","","0.1171","0.122","","","","","","1.095","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7232360","26.001","0.003","26.001","0.003","6.8271","0.0009","90","","90","","120","","3997.1","0.8","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","","","- C14 H16 N2 O8 Zn2 -","- C14 H16 N2 O8 Zn2 -","- C126 H144 N18 O72 Zn18 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54187","CuKα","","0.0567","0.0477","","","0.1496","0.1578","","","","","","1.071","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232361","25.9434","0.0009","25.9434","0.0009","6.8189","0.0002","90","","90","","120","","3974.6","0.2","173","2","173","2","","","","","","","","4","R -3","-R 3","148","","","","- C8 H6 Mg2 O8 -","- C8 H6 Mg2 O8 -","- C72 H54 Mg18 O72 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54184","CuKα","","0.074","0.0624","","","0.1823","0.1893","","","","","","1.134","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232646","30.9603","0.001","30.9603","0.001","11.4869","0.0005","90","","90","","120","","9535.5","0.6","100","2","100.2","","","","","","","","","5","R -3","-R 3","148","","","","- C15 H16 N4 Ni O3 -","- C15 H16 N4 Ni O3 -","- C270 H288 N72 Ni18 O54 -","18","","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0565","0.0429","","","0.1145","0.1283","","","","","","1.139","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7700035","32.5215","0.0012","32.5215","0.0012","14.0934","0.0006","90","","90","","120","","12908.8","0.9","298","2","298","","","","","","","","","5","R -3","-R 3","148","","","","- C44 H60 Mn4 N16 O8 -","- C44 H60 Mn4 N16 O8 -","- C396 H540 Mn36 N144 O72 -","9","","","Das, Avijit; Chakraborty, Maharudra; Maity, Souvik; Ghosh, Ashutosh","The catalytic activities and magnetic behaviours of a μ3-chlorido and a μ1,1,1-azido bridged rare defective dicubane tetranuclear Mn(II) complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01567A","","","0.71073","MoKα","","0.0605","0.0466","","","0.1145","0.1282","","","","","","1.044","","","","has coordinates,has disorder","215339","2020-10-21","18:00:00",""