# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-05T18:05:22+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42 b c' 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
"1502979","14.0215","0.0004","14.0215","0.0004","8.8612","0.0003","90","","90","","90","","1742.13","0.09","100","2","100","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","4-Azi-1-fluoroadamantane","","- C10 H13 F N2 -","- C10 H13 F N2 -","- C80 H104 F8 N16 -","8","1","","Knoll, Wolfgang; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","2H-Azirines from a concerted addition of alkylcarbenes to nitrile groups.","Organic letters","2010","12","10","2366","2369","10.1021/ol100703r","","","0.71073","MoKα","","0.036","0.0298","","","0.0802","0.0847","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1554938","21.7832","0.0003","21.7832","0.0003","8.49552","0.00015","90","","90","","90","","4031.19","0.11","297.8","0.2","297.8","0.2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C160 H168 N24 O32 -","8","1","","Zhang, Xiang; Huang, Qing-Fei; Zou, Wen-Lin; Li, Qing-Zhu; Feng, Xin; Jia, Zhi-Qiang; Liu, Yue; Li, Jun-Long; Wang, Qi-Wei","Synthetic approach to skeletally diverse nitrogen heterocycles from dicyano-2-methylenebut-3-enoates","Organic Chemistry Frontiers","2019","6","19","3321","","10.1039/C9QO00509A","","x-ray","1.54184","CuKα","","0.0659","0.0634","","","0.151","0.1561","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1568302","30.02","0.004","30.02","0.004","29.369","0.006","90","","90","","90","","26467","7","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C1288 H996 Cl20 N108 O104 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0953","0.0891","","","0.2449","0.2527","","","","","","1.012","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568304","30.0723","0.0009","30.0723","0.0009","29.2855","0.0018","90","","90","","90","","26484","2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 N13 O11 Pd2 Re2 -","- C160 H124 N13 O11 Pd2 Re2 -","- C1280 H992 N104 O88 Pd16 Re16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.71073","MoKα","","0.1162","0.1069","","","0.303","0.3144","","","","","","1.051","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568306","30.0828","0.0008","30.0828","0.0008","29.4215","0.0007","90","","90","","90","","26625.7","1.2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 B4 F16 N12 Pd2 -","- C160 H124 B4.01 F16.04 N12 Pd2 -","- C1280 H992 B32.08 F128.32 N96 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0948","0.0875","","","0.2597","0.2674","","","","","","1.102","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"2006381","12.8075","0.0018","12.8075","0.0018","16.419","0.003","90","","90","","90","","2693.2","0.7","143","2","143","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","1,8-Bis(dimethylphosphino)naphthalene","","- C14 H18 P2 -","- C14 H18 P2 -","- C112 H144 P16 -","8","1","FG1288","Jones, Peter G.; Thönnessen, Holger; Karac̨ar, Atilla; Schmutzler, Reinhard","1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry","Acta Crystallographica Section C","1997","53","8","1119","1122","10.1107/S010827019700468X","","","0.71073","MoKα","","0.0524","0.041","","0.101","0.0913","","","","1.064","1.038","1.038","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2013518","12.897","0.001","12.897","0.001","8.0078","0.0008","90","","90","","90","","1332","0.2","293","2","293","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","2-Nitrimino-1-nitroimidazolidine","","- C3 H5 N5 O4 -","- C3 H5 N5 O4 -","- C24 H40 N40 O32 -","8","1","SK1660","Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","2-Nitrimino-1-nitroimidazolidine","Acta Crystallographica Section C","2003","59","9","o499","o501","10.1107/S0108270103015671","","","1.5418","CuKα","","0.033","0.0285","","","0.076","0.0786","","","","","","1.008","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:14",""
"2013609","22.4411","0.0004","22.4411","0.0004","13.3749","0.0002","90","","90","","90","","6735.6","0.2","293","2","293","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","Benzyltripropylammonium bromide","","- C16 H28 Br N -","- C16 H28 Br N -","- C256 H448 Br16 N16 -","16","2","GG1174","Hodorowicz, Maciej A.; Czapkiewicz, Jan; Stadnicka, Katarzyna","Benzyltripropylammonium bromide: a structure in polar space group <i>P</i>4~2~<i>bc</i>","Acta Crystallographica Section C","2003","59","10","o547","o549","10.1107/S0108270103018651","","","0.71073","MoKα","","0.062","0.038","","","0.069","0.076","","","","","","1.048","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:14",""
"2015430","13.3426","0.0014","13.3426","0.0014","9.049","0.002","90","","90","","90","","1610.9","0.4","298","2","298","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","0.5","GA3008","Imashiro, Fumio","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","Acta Crystallographica Section C","2006","62","7","o410","o411","10.1107/S010827010601866X","","","0.71069","MoKα","","0.0505","0.034","","","0.0888","0.0967","","","","","","1.065","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:24",""
"2019080","15.4909","0.0011","15.4909","0.0011","13.6285","0.0009","90","","90","","90","","3270.4","0.4","296","2","296","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C48 H192 Co8 N48 S32 Sb8 -","8","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0273","0.0212","","","0.0394","0.0452","","","","","","1.078","","","","has coordinates,has Fobs","301798","2025-08-19","06:44:14",""
"2021861","8.85","0.005","8.85","0.005","12.52","0.005","90","","90","","90","","980.6","0.9","293","","293","","","","","","","","","6","P 42 b c","P 4c -2ab","106","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar0.756 I3 N Pb -","- C Ar0.756 I3 N Pb -","- C4 Ar3.024 I12 N4 Pb4 -","4","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1025","0.0485","","","0.0537","0.0728","","","","1.75","1.75","1.44","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021862","8.7468","0.0015","8.7468","0.0015","12.398","0.001","90","","90","","90","","948.5","0.2","293","","293","","0.49","","","","","","","6","P 42 b c","P 4c -2ab","106","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar I3 N Pb -","- C Ar I3 N Pb -","- C4 Ar4 I12 N4 Pb4 -","4","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1263","0.0679","","","0.0645","0.0858","","","","2.12","2.12","1.8","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021863","8.7222","0.0015","8.7222","0.0015","11.9979","0.0015","90","","90","","90","","912.8","0.2","293","","293","","","","","","","","","6","P 42 b c","P 4c -2ab","106","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar1.337 I3 N Pb -","- C Ar1.34 I3 N Pb -","- C4 Ar5.36 I12 N4 Pb4 -","4","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1968","0.0787","","","0.0789","0.1149","","","","2.45","2.45","1.82","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2101590","10.839","0.006","10.839","0.006","5.308","0.004","90","","90","","90","","623.6","0.7","","","","","","","","","","","","4","P 42 b c","P 4c -2ab","","","","","- H3 Na O3 Zn -","- H24 Na8 O24 Zn8 -","- H24 Na8 O24 Zn8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2107374","12.765","","12.765","","8.002","","90","","90","","90","","1303.89","","","","","","","","","","","","","4","P 42 b c","P 4c -2ab","106","","K0.54 (Mn.54 Fe.46) F3","","- F3 Fe0.46 K0.54 Mn0.54 -","- F3 Fe0.46 K0.54 Mn0.54 -","- F60 Fe9.2 K10.8 Mn10.8 -","20","2.5","","Banks, E.; Williams, G.J.B.; Nakajima, S.","The crystal structure of K0.54 (Mn, Fe) F3 at room temperature","Acta Crystallographica B (24,1968-38,1982)","1979","35","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","173319","2020-10-21","18:00:00",""
"2210510","15.2781","0.0019","15.2781","0.0019","13.559","0.004","90","","90","","90","","3164.9","1.1","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","Tris(ethylenediamine)cobalt(III) tetrathioarsenate","","- C6 H24 As Co N6 S4 -","- C6 H24 As Co N6 S4 -","- C48 H192 As8 Co8 N48 S32 -","8","1","BI2068","Zhan Hu; Li-Qin Dang; Duan-Hai Bao; Yong-Lin An","Tris(ethylenediamine)cobalt(III) tetrathioarsenate(V)","Acta Crystallographica Section E","2006","62","10","m2756","m2757","10.1107/S1600536806039031","","","0.71073","MoKα","","0.04","0.027","","","0.0439","0.0471","","","","","","0.971","","","","has coordinates,has Fobs","301804","2025-08-19","12:25:31",""
"2216062","18.205","0.003","18.205","0.003","7.371","0.002","90","","90","","90","","2442.9","0.9","293","2","293","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","catena-Poly[1-ethyl-4-methylpyridinium [argentate(I)-di-μ-iodido]]","","- C8 H12 Ag I2 N -","- C8 H12 Ag I2 N -","- C64 H96 Ag8 I16 N8 -","8","1","LX2023","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Liu, Ji Bo","<i>catena</i>-Poly[1-ethyl-4-methylpyridinium [argentate(I)-di-μ-iodido]]","Acta Crystallographica Section E","2007","63","11","m2846","m2847","10.1107/S1600536807052269","","","0.71073","MoKα","","0.0454","0.0362","","","0.092","0.0964","","","","","","1.119","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2218436","17.552","0.003","17.552","0.003","7.487","0.0015","90","","90","","90","","2306.5","0.7","294","2","294","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","3-(2-Bromo-4,5-dimethoxyphenyl)propiononitrile","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C88 H96 Br8 N8 O16 -","8","1","HK2461","Liu, Yan-Ping; Wang, De-Cai; Chen, Hui; Kang, Si-Shun; Huang, Xin-Ming","3-(2-Bromo-4,5-dimethoxyphenyl)propiononitrile","Acta Crystallographica Section E","2008","64","6","o1064","","10.1107/S1600536808013767","","","0.71073","MoKα","","0.1176","0.0524","","","0.0932","0.1131","","","","","","0.991","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:40",""
"2231246","16.467","0.0003","16.467","0.0003","3.9064","0.0012","90","","90","","90","","1059.3","0.3","200","2","200","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","2,3-Diaminopyridine","Pyridine-2,3-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","OM2449","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","Pyridine-2,3-diamine","Acta Crystallographica Section E","2011","67","8","o2154","","10.1107/S1600536811029412","","","0.71073","MoKα","","0.0396","0.036","","","0.0807","0.0847","","","","","","1.099","","","","has coordinates,has Fobs","301806","2025-08-19","15:27:06",""
"4000414","12.634","0.001","12.634","0.001","7.903","0.0006","90","","90","","90","","1261.5","0.2","293","2","293","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","","","- F15 Fe5 K2.63 -","- F15 Fe5 K2.627 -","- F60 Fe20 K10.508 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0402","0.0209","","0.0613","0.0544","","","","0.978","1.141","1.141","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4026780","21.8928","0.0007","21.8928","0.0007","6.3572","0.0004","90","","90","","90","","3047","0.2","293","2","293","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C16 H12 B Br F2 N2 O -","- C16 H12 B Br F2 N2 O -","- C128 H96 B8 Br8 F16 N16 O8 -","8","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0813","0.068","","","0.1921","0.2039","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:25",""
"4034113","10.9366","0.0004","10.9366","0.0004","17.1631","0.0008","90","","90","","90","","2052.86","0.14","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","2","P 42 b c","P 4c -2ab","106","","","","- C13 H8 -","- C13 H8 -","- C104 H64 -","8","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.1141","0.0931","","","0.2256","0.251","","","","","","1.014","","","","has coordinates,has disorder","222671","2020-10-21","18:00:00",""
"4035210","10.4555","0.0009","10.4555","0.0009","26.75","0.002","90","","90","","90","","2924.2","0.4","120","","120","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0604","0.059","","","0.1523","0.1535","","","","","","1.162","","","","has coordinates,has disorder","226687","2020-10-21","18:00:00",""
"4068008","15.14","0.002","15.14","0.002","9.62","0.0019","90","","90","","90","","2205.1","0.6","193","2","193","2","","","","","","","","8","P 42 b c","P 4c -2ab","106","","","","- C21 H19 B2 Co F8 Fe N O -","- C21 H19 B2 Co F8 Fe N O -","- C84 H76 B8 Co4 F32 Fe4 N4 O4 -","4","0.5","","Huesmann, Hannah; Förster, Christoph; Siebler, Daniel; Gasi, Teuta; Heinze, Katja","Amide-Linked Heterobi- and Heterotermetallocenes with Very Low HOMO‒LUMO Gaps","Organometallics","2012","31","1","413","","10.1021/om201007g","","","0.71073","MoKα","","0.0839","0.0397","","","0.1021","0.1285","","","","","","1.007","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4073187","19.7951","0.0006","19.7951","0.0006","31.9497","0.0018","90","","90","","90","","12519.4","0.9","120","2","120","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C72 H203 B8 Li16 O16 P8 Si8 -","- C72 H203 B8 Li16 O16 P8 Si8 -","- C288 H812 B32 Li64 O64 P32 Si32 -","4","0.5","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Metalation of Trimethylphosphine−Borane. Unexpected Reactivity of a Simple Phosphine−Borane-Stabilized Carbanion toward Siloxanes","Organometallics","2007","26","11","2861","","10.1021/om070150j","","","0.6712","synchrotron","","0.0449","0.0393","","","0.1058","0.1105","","","","","","1.028","","","","has coordinates,has disorder","178620","2020-10-21","18:00:00",""
"4073370","32.291","0.003","32.291","0.003","12.6462","0.0015","90","","90","","90","","13186","2","150","2","150","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C56 H60 N8 O12 P4 Pt2 -","- C74.6667 N11.3333 O16 P5.33333 Pt2.66667 -","- C448 N68 O96 P32 Pt16 -","6","0.75","","Ghosh, Sushobhan; Mukherjee, Partha Sarathi","Self-Assembly of Metallamacrocycles via a Rigid Phosphorus Donor Linker#","Organometallics","2007","26","14","3362","","10.1021/om700296k","","","0.71073","MoKα","","0.2244","0.1009","","","0.2011","0.2723","","","","","","1.244","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4079350","25.3156","0.0015","25.3156","0.0015","10.7989","0.0007","90","","90","","90","","6920.8","0.7","223","","223","","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C43 H40 Cl2 Ir2 -","- C43 H40 Cl2 Ir2 -","- C344 H320 Cl16 Ir16 -","8","1","","Graeupner, Jonathan; Brewster, Timothy P.; Blakemore, James D.; Schley, Nathan D.; Thomsen, Julianne M.; Brudvig, Gary W.; Hazari, Nilay; Crabtree, Robert H.","Electron-Rich CpIr(biphenyl-2,2'-diyl) Complexes with π-Accepting Carbon Donor Ligands.","Organometallics","2012","31","20","7158","7164","10.1021/om300696t","","","0.71075","MoKα","","","0.0641","","","","0.091","","","","","","1.153","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4102945","20.6955","0.001","20.6955","0.001","14.3009","0.001","90","","90","","90","","6125.1","0.6","193","2","193","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C31 H50 Ir N P2 -","- C31 H50 Ir N P2 -","- C248 H400 Ir8 N8 P16 -","8","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0238","0.0192","","","0.0411","0.0429","","","","","","1.041","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4111093","19.4457","0.0008","19.4457","0.0008","7.9176","0.0006","90","","90","","90","","2993.9","0.3","173","2","173","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","1,1-Diiodo-3,3,4,4-tetramethyl-1,3,4-telluradisilolane","","- C6 H16 I2 Si2 Te -","- C6 H16 I2 Si2 Te -","- C48 H128 I16 Si16 Te8 -","8","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0282","0.0267","","","0.0622","0.0632","","","","","","1.058","","","","has coordinates","301833","2025-08-20","15:22:48",""
"4302680","30.383","0.004","30.383","0.004","22.292","0.005","90","","90","","90","","20578","6","100","2","100","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C144 H148 Cu12 N60 O86 -","- C144 H96 Cu12 N60 O86 -","- C576 H384 Cu48 N240 O344 -","4","0.5","","Consuelo Yuste; Laura Cañadillas-Delgado; Ana Labrador; Fernando S. Delgado; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Low-Dimensional Copper(II) Complexes with the Trinucleating Ligand 2,4,6-Tris(di-2-pyridylamine)-1,3,5-triazine: Synthesis, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2009","48","","6630","6640","10.1021/ic900599g","","x-ray","0.7513","synchrotron","","0.0899","0.0896","","","0.2698","0.2714","","","","","","1.369","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4303524","8.0296","0.0007","8.0296","0.0007","30.883","0.004","90","","90","","90","","1991.2","0.4","293","2","293","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","","","- Bi2.42 Gd5 Si1.58 -","- Bi2.4216 Gd5 Si1.5774 -","- Bi19.3728 Gd40 Si12.6192 -","8","1","","Volodymyr Svitlyk; Branton J. Campbell; Yurij Mozharivskyj","Gd5Si4-xBix Structures: Novel Slab Sequences Achieved by Turning off the Directionality of Nearest-Slab Interactions","Inorganic Chemistry","2009","48","","10364","10370","10.1021/ic901582j","","","0.71073","MoKα","","0.1936","0.0531","","","0.1224","0.1666","","","","","","0.744","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4305795","18.7107","0.0003","18.7107","0.0003","11.7603","0.0002","90","","90","","90","","4117.17","0.12","150","2","150","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","Co/Zn-BTEC","Co/Zn-BTEC","","- C15 H15 Co N O10 S Zn -","- C15 H15 Co N O10 S Zn -","- C120 H120 Co8 N8 O80 S8 Zn8 -","8","1","","Stephen R. Caskey; Adam J. Matzger","Selective Metal Substitution for the Preparation of Heterobimetallic Microporous Coordination Polymers","Inorganic Chemistry","2008","47","","7942","7944","10.1021/ic8007427","","","1.54187","CuKα","","0.1012","0.0705","","","0.1636","0.2052","","","","","","1.179","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4324957","24.0508","0.0014","24.0508","","8.8378","0.0005","90","","90","","90","","5112.1","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 42 b c","P 4c -2ab","106","","","","- C18 H30 Cd N8 O6 -","- C18 H30 Cd N8 O6 -","- C144 H240 Cd8 N64 O48 -","8","1","","Abir El Majzoub; Cyril Cadiou; Isabelle Déchamps-Olivier; Bernard Tinant; Françoise Chuburu","Cyclam-methylbenzimidazole: a Selective OFF-ON Fluorescent Sensor for Zinc","Inorganic Chemistry","2011","50","","4029","4038","10.1021/ic102521g","","x-ray","0.71073","MoKα","","0.0305","0.028","","","0.0592","0.06","","","","","","1.117","","","","has coordinates","301838","2025-08-20","22:17:41",""
"4337087","19.87","0.003","19.87","0.003","12.749","0.003","90","","90","","90","","5033.5","1.6","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Br4 Mn8 N44 O22 -","- C76 H72 Br4 Mn8 N44 O22 -","- C152 H144 Br8 Mn16 N88 O44 -","2","0.25","","Qin, Jianhua; Jia, Yanyuan; Li, Huijun; Zhao, Bei; Wu, Dongqing; Zang, Shuangquan; Hou, Hongwei; Fan, Yaoting","Conversion from a heterochiral [2 + 2] coaxially nested double-helical column to a cationic spiral staircase stimulated by an ionic liquid anion.","Inorganic chemistry","2014","53","2","685","687","10.1021/ic402598p","","","0.71073","MoKα","","0.051","0.0446","","","0.1065","0.1102","","","","","","1.087","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4345660","13.56238","0.00006","13.56238","0.00006","14.93712","0.00013","90","","90","","90","","2747.51","0.03","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","barium lithium sodium fluoride borate","","- B7 Ba12 F4 Li0.5 Na0.5 O21 -","- B7 Ba12 F4 Li0.6 Na0.4 O21 -","- B28 Ba48 F16 Li2.4 Na1.6 O84 -","4","0.5","","Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B.","Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with ""Antizeolite"" Structure.","Inorganic chemistry","2017","56","9","5411","5419","10.1021/acs.inorgchem.7b00520","","","0.71073","MoKα","","0.0287","0.0285","","","0.0644","0.0646","","","","","","1.21","","","","has coordinates","196117","2020-10-21","18:00:00",""
"4345805","19.6199","","19.6199","","15.9273","","90","","90","","90","","6131.06","","293","","293","","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C22 H24 Cu4 I4 N4 O0.5 -","- C22 H23 Cu4 I4 N4 O0.5 -","- C176 H184 Cu32 I32 N32 O4 -","8","1","","Kirakci, Kaplan; Fejfarová, Karla; Martinčík, Jiří; Nikl, Martin; Lang, Kamil","Tetranuclear Copper(I) Iodide Complexes: A New Class of X-ray Phosphors.","Inorganic chemistry","2017","56","8","4610","4615","10.1021/acs.inorgchem.7b00240","","x-ray","0.71073","MoKα","","0.0534","0.0278","","","0.026","0.0284","","","","1.29","1.29","1.22","","","","has coordinates","195978","2020-10-21","18:00:00",""
"4345815","13.53491","0.00008","13.53491","0.00008","14.93849","0.00016","90","","90","","90","","2736.64","0.04","293","2","293","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","barium lithium fluoride borate","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.5","","Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B.","Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with ""Antizeolite"" Structure.","Inorganic chemistry","2017","56","9","5411","5419","10.1021/acs.inorgchem.7b00520","","","0.71073","MoKα","","0.0308","0.03","","","0.0624","0.0629","","","","","","1.222","","","","has coordinates","301840","2025-08-20","23:45:01",""
"4345816","13.59612","0.00013","13.59612","0.00013","14.9394","0.0003","90","","90","","90","","2761.62","0.07","293","2","293","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","barium sodium fluoride borate","","- B7 Ba12 F4 Na O21 -","- B7 Ba12 F4 Na O21 -","- B28 Ba48 F16 Na4 O84 -","4","0.5","","Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B.","Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with ""Antizeolite"" Structure.","Inorganic chemistry","2017","56","9","5411","5419","10.1021/acs.inorgchem.7b00520","","","0.71073","MoKα","","0.0702","0.0669","","","0.1305","0.1329","","","","","","1.222","","","","has coordinates","301840","2025-08-20","23:45:01",""
"4347360","23.9473","0.001","23.9473","0.001","9.1337","0.0004","90","","90","","90","","5237.9","0.4","296","2","296","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H38 B8 Ir2 -","- C20 H38 B8 Ir2 -","- C160 H304 B64 Ir16 -","8","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0471","0.0313","","","0.0654","0.076","","","","","","1.229","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4501529","18.853","0.002","18.853","0.002","20.639","0.003","90","","90","","90","","7335.8","1.5","298","2","298","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C52 H50 Cu6 F12 N18 O17 S4 -","- C52 H50 Cu6 F12 N18 O17 S4 -","- C208 H200 Cu24 F48 N72 O68 S16 -","4","0.5","","Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.","Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice","Crystal Growth & Design","2010","10","6","2606","","10.1021/cg100060p","","","0.71073","MoKα","","0.1522","0.0846","","","0.1925","0.2193","","","","","","1.185","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4511775","18.924","0.003","18.924","0.003","19.322","0.003","90","","90","","90","","6919.6","1.9","98","2","98","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C36 H56 N2 Ni P2 -","- C36 H56 N2 Ni P2 -","- C288 H448 N16 Ni8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C–S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0342","0.0332","","","0.0819","0.0825","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511776","18.927","0.003","18.927","0.003","19.275","0.003","90","","90","","90","","6904.9","1.9","98","2","98","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C36 H55 N Ni O P2 -","- C36 H55 N Ni O P2 -","- C288 H440 N8 Ni8 O8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C–S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.042","0.039","","","0.0929","0.0953","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:37",""
"7005003","21.5338","0.0007","21.5338","0.0007","15.5334","0.0008","90","","90","","90","","7202.9","0.5","150","2","150","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C24 H42 Cl2 Fe N2 O12 P4 -","- C24 H42 Cl2 Fe N2 O12 P4 -","- C192 H336 Cl16 Fe8 N16 O96 P32 -","8","1","","Burrows, Andrew D.; Dodds, Deborah; Kirk, Andrew S.; Lowe, John P.; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.","Substitution and derivatization reactions of a water soluble iron(II) complex containing a self-assembled tetradentate phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","5","570","580","10.1039/b614726g","","","0.6751","Synchrotron","","0.0822","0.0552","","","0.1454","0.1646","","","","","","1.01","","","","has coordinates,has disorder","179754","2020-10-21","18:00:00",""
"7017052","16.4053","0.0003","16.4053","0.0003","21.4837","0.001","90","","90","","90","","5782","0.3","100","","100","","","","","","","","see text","5","P 42 b c","P 4c -2ab","106","","","","- C19 H48 Li3 N5 Si4 -","- C19 H48 Li3 N5 Si4 -","- C152 H384 Li24 N40 Si32 -","8","1","","Woodruff, Daniel; Bodensteiner, Michael; Sells, Daniel O.; Winpenny, Richard E. P.; Layfield, Richard A.","Synthesis and structure of cationic guanidinate-bridged bimetallic {Li(7)M} cubes (M = Mn, Co, Zn) with inverse crown counter anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10918","10923","10.1039/c1dt10999e","","x-ray","0.71073","MoKα","","0.0551","0.0393","","","0.0989","0.106","","","","","","0.995","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7037436","16.987","0.006","16.987","0.006","16.186","0.011","90","","90","","90","","4671","4","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C21 H20 Cu2 Fe2 I2 Se2 -","- C21 H20 Cu2 Fe2 I2 Se2 -","- C168 H160 Cu16 Fe16 I16 Se16 -","8","1","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.1079","0.0573","","","0.1199","0.1409","","","","","","1.025","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7039890","22.72621","0.00015","22.72621","0.00015","17.6278","0.0002","90","","90","","90","","9104.42","0.13","160","2","160","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C94 H84 Cl2 Ir2 N4 P4 -","- C80 H68 Cl2 Ir2 N4 P4 -","- C320 H272 Cl8 Ir8 N16 P16 -","4","0.5","","Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano","Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12028","12040","10.1039/c6dt01146b","","","0.71073","MoKα","","0.0427","0.0276","","","0.0617","0.0678","","","","","","1.113","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7047957","22.85","0.0005","22.85","0.0005","8.9379","0.0003","90","","90","","90","","4666.7","0.2","105","1","105","1","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H30 P4 Ru2 -","- C20 H30 P4 Ru2 -","- C160 H240 P32 Ru16 -","8","1","","Bispinghoff, Mark; Benkő, Zoltán; Grützmacher, Hansjörg; Calvo, Fuencisla Delgado; Caporali, Maria; Peruzzini, Maurizio","Ruthenium mediated halogenation of white phosphorus: synthesis and reactivity of the unprecedented P<sub>4</sub>Cl<sub>2</sub> moiety.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3593","3600","10.1039/c8dt01840e","","x-ray","0.71073","MoKα","","0.0474","0.0354","","","0.0599","0.064","","","","","","1.031","","","","has coordinates","224541","2020-10-21","18:00:00",""
"7133889","14.1275","0.0019","14.1275","0.0019","6.862","0.0014","90","","90","","90","","1369.6","0.4","120","2","120","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","nickel dichloride bis 2,1,3-benzoxadiazole","","- C12 H8 Cl2 N4 Ni O2 -","- C12 H8 Cl2 N4 Ni O2 -","- C48 H32 Cl8 N16 Ni4 O8 -","4","0.5","","Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.","Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.","Chemical communications (Cambridge, England)","2024","60","97","14427","14430","10.1039/d4cc04214j","","x-ray","1.54184","CuKα","","0.0944","0.0507","","","0.1","0.1217","","","","","","1.059","","","","has coordinates","296262","2024-12-06","14:58:03",""
"7157258","16.7456","0.0005","16.7456","0.0005","13.5915","0.0009","90","","90","","90","","3811.3","0.3","293","2","293.15","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C22 H19 Cl N O4 -","- C22 H19 Cl N O4 -","- C176 H152 Cl8 N8 O32 -","8","1","","Jiang, Xue-Fei; Tan, Hao; Cui, Hai-Lei","FeCl<sub>3</sub> mediated dimerization of dihydropyrrolo[2,1-a]isoquinolines and chlorination of tetrasubstituted pyrroles.","Organic & biomolecular chemistry","2020","18","4","660","665","10.1039/c9ob02607j","","x-ray","1.54184","CuKα","","0.0762","0.0433","","","0.0878","0.1038","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7226358","21.041","0.004","21.041","0.004","16.456","0.003","90","","90","","90","","7285","2","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Na4 O26 S2 -","- C76 H72 Na4 O26 S2 -","- C304 H288 Na16 O104 S8 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1946","0.0689","","","0.1234","0.1666","","","","","","0.973","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226359","21.0771","0.0007","21.0771","0.0007","16.6303","0.0005","90","","90","","90","","7387.9","0.4","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C78 H74 N2 Na4 O26 -","- C78 H74 N2 Na4 O26 -","- C312 H296 N8 Na16 O104 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1725","0.0662","","","0.1548","0.2141","","","","","","1.005","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7232754","12.4727","0.0015","12.4727","0.0015","6.0594","0.0007","90","","90","","90","","942.65","0.19","100","2","100","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","2-methylfuran","","- C5 H6 O -","- C5 H6 O -","- C40 H48 O8 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0214","0.0207","","","0.0507","0.0509","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7238476","17.482","0.005","17.482","0.005","19.478","0.005","90","0.005","90","0.005","90","0.005","5953","3","293","2","293","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C29 H29 F3 N2 O5 Ru S -","- C29 H29 F3 N2 O5 Ru S -","- C232 H232 F24 N16 O40 Ru8 S8 -","8","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71069","MoKα","","0.1008","0.0522","","","","0.1293","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7241410","20.029","0.003","20.029","0.003","9.929","0.003","90","","90","","90","","3983.1","1.5","296","2","296","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C176 H224 N16 O16 -","8","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1293","0.0577","","","0.1304","0.1664","","","","","","1.001","","","","has coordinates","301870","2025-08-22","22:41:58",""
"7247292","11.5876","0.0008","11.5876","0.0008","16.4371","0.0015","90","","90","","90","","2207.1","0.3","150","2","150","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C12 H14 Cl8 I2 N2 -","- C12 H14 Cl8 I2 N2 -","- C48 H56 Cl32 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0398","0.03","","","0.0525","0.057","","","","","","1.027","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7719387","17.463","0.0003","17.463","0.0003","15.7651","0.0006","90","","90","","90","","4807.7","0.2","100","2","100","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C22 H26 F3 Fe N4 O5 S -","- C22 H26 F3 Fe N4 O5 S -","- C176 H208 F24 Fe8 N32 O40 S8 -","8","1","","Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G.","Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis.","Dalton transactions (Cambridge, England : 2003)","2025","54","38","14522","14532","10.1039/d5dt01833a","","","1.54184","CuKα","","0.0672","0.0584","","","0.1419","0.1463","","","","","","1.151","","","","has coordinates,has disorder","302694","2025-10-06","09:52:08",""
"8100924","15.9955","0.0018","15.9955","0.0018","14.053","0.004","90","","90","","90","","3595.5","1.2","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C6 H24 Ga N6 Sb Se4 -","- C6 H24 Ga N6 Sb Se4 -","- C48 H192 Ga8 N48 Sb8 Se32 -","8","1","","Blachnik, Roger; Fehlker, Andreas; Reuter, Hans","Crystal structure of tris(ethylenediamine)gallium tetraselenoantimonate, [Ga(en)~3~]SbSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","211","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","301880","2025-08-22","23:45:44",""