# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-11T19:11:33+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n' 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
"1517416","14.657","0.003","14.657","0.003","11.492","0.003","90","","90","","90","","2468.8","1","100","2","100","2","","","","","","","","3","P 42/n","-P 4bc","86","","","","- C54 H58 N12 -","- C54 H58 N12 -","- C108 H116 N24 -","2","","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.101","0.0545","","","0.1378","0.1531","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1542344","20.0066","0.0009","20.0066","0.0009","5.3686","0.0003","90","","90","","90","","2148.86","0.18","106","2","106","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C10 H8 F4 N2 O2 -","- C10 H8 F4 N2 O2 -","- C80 H64 F32 N16 O16 -","8","","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.065","0.0441","","","0.1144","0.1263","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1543580","18.0755","0.0005","18.0755","0.0005","7.4501","0.0002","90","","90","","90","","2434.12","0.12","291","2","291.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C8 H10 Ag I2 N2 -","- C8 H10 Ag I2 N2 -","- C64 H80 Ag8 I16 N16 -","8","","","Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu","The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids","Inorganica Chimica Acta","2014","","","227","232","10.1016/j.ica.2013.09.029","","","0.7107","MoKα","","0.0634","0.0475","","","0.1122","0.124","","","","","","1.013","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544248","19.9155","0.0002","19.9155","0.0002","13.4286","0.0002","90","","90","","90","","5326.15","0.11","173","2","173","2","","","","","","","","4","P 42/n","-P 4bc","86","HOFTPE4N","","","- C26 H16 N4 O8 -","- C26 H16 N4 O8 -","- C208 H128 N32 O64 -","8","","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54178","CuKα","","0.0644","0.0528","","","0.147","0.1594","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1545893","11.7663","0.0003","11.7663","0.0003","7.5184","0.0003","90","","90","","90","","1040.89","0.06","173","2","173","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C4 H12 Cu2 I2 N2 -","- C4 H12 Cu2 I2 N2 -","- C16 H48 Cu8 I8 N8 -","4","","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0333","0.0263","","","0.0452","0.0469","","","","","","1.044","","","","has coordinates","195832","2020-10-21","18:00:00",""
"1547096","20.109","","20.109","","9.5683","0.0006","90","","90","","90","","3869.2","0.2","293","2","293.15","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","","","Li, Xuanxuan; Fang, Xinxin; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Photoredox Catalysis: Construction of Polyheterocycles via Alkoxycarbonylation/Addition/Cyclization Sequence.","Organic letters","2017","19","13","3580","3583","10.1021/acs.orglett.7b01553","","","1.54184","CuKα","","0.0552","0.0492","","","0.1486","0.1549","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547990","12.4516","0.0004","12.4516","0.0004","8.1424","0.0003","90","","90","","90","","1262.42","0.07","122","1","122","1","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C40 H48 F12 Ir2 N16 Zn2 -","8","","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0252","0.0134","","","0.0297","0.0349","","","","","","1.0337","","","","has coordinates","203079","2020-10-21","18:00:00",""
"1549841","20.048","0.002","20.048","0.002","19.32","0.002","90","","90","","90","","7765.1","1.4","100","0.5","100","0.5","","","","","","","","6","P 42/n","-P 4bc","86","neisc24","","","- C80 H112 Fe2 Mg N6 O9.5 -","- C80 H112 Fe2 Mg N6 O9.5 -","- C320 H448 Fe8 Mg4 N24 O38 -","4","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0908","0.0534","","","0.1299","0.1561","","","","","","1.033","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"2000179","24.595","0.004","24.595","0.004","6.398","0.002","90","","90","","90","","3870.2","1.5","","","","","","","","","","","","6","P 42/n","-P 4bc","","","","","- C17.5 H19 Cl F6 N2 O1.5 -","- C17 H17 Cl F6 N2 O -","- C136 H136 Cl8 F48 N16 O8 -","8","","CR0310","Karle, J. M.; Karle, I. L.","Structure of the antimalarial (±)-mefloquine hydrochloride","Acta Crystallographica Section C","1991","47","11","2391","2395","10.1107/S0108270191005796","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","189068","2020-10-21","18:00:00",""
"2238587","12.2098","0.00012","12.2098","0.00012","16.2811","0.0003","90","","90","","90","","2427.17","0.06","100.6","0.9","100.6","0.9","","","","","","","","4","P 42/n","-P 4bc","86","","Bis[bis(pentamethylcyclopentadienyl)cobalt(III)] tetrachloridocobaltate(II) dichloromethane disolvate","","- C42 H64 Cl8 Co3 -","- C42 H64 Cl8 Co3 -","- C84 H128 Cl16 Co6 -","2","","ZL2564","Merola, Joseph S.; Ngo, Mai; Karpin, George W.","Bis[bis(pentamethylcyclopentadienyl)cobalt(III)] tetrachloridocobaltate(II) dichloromethane disolvate","Acta Crystallographica Section E","2013","69","9","m504","","10.1107/S160053681302254X","","","0.7107","MoKα","","0.0501","0.0367","","","0.0835","0.0909","","","","","","1.04","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2240155","22.6657","0.00013","22.6657","0.00013","14.24938","0.00011","90","","90","","90","","7320.39","0.08","100","0.1","100","0.1","","","","","","","","4","P 42/n","-P 4bc","86","","5,6-[(1<i>R</i>,10<i>S</i>)-2,9-Dioxatricyclo[8.6.0^3,8^.0^11,16^]hexadecane-1,10-diyl]-(C~60~‒I~h~)[5,6]fullerene methanedithione 0.1-solvate","","- C74.1 H10 O2 S0.21 -","- C74.1033 H10 O2 S0.206 -","- C592.826 H80 O16 S1.648 -","8","","ZP2014","Bortel, Gábor; Kováts, Éva; Oszlányi, Gábor; Pekker, Sándor","Crystal structure of the 4~+~2 cycloadduct of photooxidized anthracene and C~60~ fullerene","Acta Crystallographica Section E","2014","70","11","444","446","10.1107/S1600536814019643","","","1.54184","CuKα","","0.05","0.0454","","","0.1157","0.1199","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"4026566","14.5918","0.0002","14.5918","0.0002","21.0203","0.0006","90","","90","","90","","4475.66","0.15","150","2","150","2","","","","","","","","6","P 42/n","-P 4bc","","","","","- C23 H22 B F2 N3 O2 -","- C23 H22 B F2 N3 O2 -","- C184 H176 B8 F16 N24 O16 -","8","","","M. Rajeswara Rao; Manu D. Tiwari; Jayesh R. Bellare; M. Ravikanth","Synthesis of BF2 Complexes of Prodigiosin Type Oligopyrroles","Journal of Organic Chemistry","2011","76","","7263","7268","10.1021/jo201183s","","","0.71073","MoKα","","0.0865","0.0586","","","0.1858","0.197","","","","","","1.032","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4029895","19.2843","0.0009","19.2843","0.0009","7.3129","0.0002","90","","90","","90","","2719.55","0.19","293","2","293","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C17 H13 Cl O -","- C17 H13 Cl O -","- C136 H104 Cl8 O8 -","8","","","Liu, Qiang; Meng, Jiang; Liu, Yang; Yang, Chao; Xia, Wujiong","Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins.","The Journal of organic chemistry","2014","79","17","8143","8155","10.1021/jo5013465","","","1.5418","CuKα","","0.0446","0.0397","","","0.1024","0.1063","","","","","","1.049","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4086036","24.9741","0.0003","24.9741","0.0003","8.0997","0.0001","90","","90","","90","","5051.83","0.11","100","","100","","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C23 H39 Br N Ni O5 P -","- C23 H39 Br N Ni O5 P -","- C184 H312 Br8 N8 Ni8 O40 P8 -","8","","","Smith, Jacob B.; Miller, Alexander J. M.","Connecting Neutral and Cationic Pathways in Nickel-Catalyzed Insertion of Benzaldehyde into a C‒H Bond of Acetonitrile","Organometallics","2015","34","19","4669","","10.1021/acs.organomet.5b00405","","","1.54178","CuKα","","0.0454","0.0313","","","0.0675","0.0729","","","","","","1.027","","","","has coordinates","170107","2020-10-21","18:00:00",""
"4119311","28.3177","0.0016","28.3177","0.0016","10.7605","0.0006","90","","90","","90","","8628.8","0.8","120","2","120","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C45 H39 Cl2 F6 N P2 Ru -","- C45 H39 Cl2 F6 N P2 Ru -","- C360 H312 Cl16 F48 N8 P16 Ru8 -","8","","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.71073","MoKα","","0.1411","0.0981","","","0.1949","0.2139","","","","","","1.047","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4340357","14.2756","0.0007","14.2756","0.0007","27.1417","0.0014","90","","90","","90","","5531.3","0.5","293","2","293","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C29.5 H25.9 Cu N2.5 O5.7 -","- C29.5 H25.9 Cu N2.5 O5.7 -","- C236 H207.2 Cu8 N20 O45.6 -","8","","","Cucos, Paula; Tuna, Floriana; Sorace, Lorenzo; Matei, Iulia; Maxim, Catalin; Shova, Sergiu; Gheorghe, Ruxandra; Caneschi, Andrea; Hillebrand, Mihaela; Andruh, Marius","Magnetic and luminescent binuclear double-stranded helicates.","Inorganic chemistry","2014","53","14","7738","7747","10.1021/ic501051q","","","0.7107","MoKα","","0.1305","0.0781","","","0.1867","0.2193","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"5900024","12","","12","","5.51","","90","","90","","90","","793.44","","","","","","","","","","","","","3","P 42/n","","86","","Pentaerythritole tetraacetate","","- C13 H20 O8 -","- C13 O8 -","- C26 O16 -","2","","","","","Proc. Roy. Soc.","1938","164","","369","","10.1098/rspa.1938.0023","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000569","10.3711","","10.3711","","5.5915","","90","","90","","90","","601.42","","","","70","","","","","","","","","4","P 42/n","","","","","","- C H Cl F2 -","","","","","","Binbrek, O. S.; Torrie, B. H.; von Dreele, R.; Powell, B. M.","The two solid phases of chlorodifluoromethane","Molecular Physics","1997","90","","49","54","10.1080/002689797172859","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7016572","22.7088","0.0003","22.7088","0.0003","7.9025","0.0002","90","","90","","90","","4075.24","0.13","130","2","130","2","","","","","","","synthesis as described","6","P 42/n","-P 4bc","86","","[(dippe)Ni(S2O3)]","","- C14 H32 Ni O3 P2 S2 -","- C14 H32 Ni O3 P2 S2 -","- C112 H256 Ni8 O24 P16 S16 -","8","","","González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J","Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9116","9122","10.1039/c1dt10972c","","x-ray","0.71073","MoKα","","0.0488","0.0361","","","0.0961","0.0989","","","","","","1.096","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016949","12.961","0.0012","12.961","0.0012","19.4074","0.0017","90","","90","","90","","3260.2","0.5","200","2","200","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C17 H16 Au Br N2 -","- C17 H16 Au Br N2 -","- C136 H128 Au8 Br8 N16 -","8","","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0694","0.0398","","","0.0815","0.0932","","","","","","1.036","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7033782","14.3","0.004","14.3","0.004","14.983","0.004","90","","90","","90","","3063.9","1.5","307","2","307","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C12 H11 Fe3 N9 O24.5 -","- C12 H11 Fe3 N9 O24.5 -","- C48 H44 Fe12 N36 O98.0002 -","4","","","Goswami, Soumyabrata; Biswas, Soumava; Konar, Sanjit","Concomitant spin-canted antiferromagnetic ordering and proton conduction in homometallic and homoleptic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3949","3953","10.1039/c4dt03575e","","","0.71073","MoKα","","0.0646","0.0521","","","0.1511","0.1593","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033783","14.204","0.0009","14.204","0.0009","15.0369","0.001","90","","90","","90","","3033.7","0.3","307","2","307","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C12 H15 Co3 N9 O24.5 -","- C12 H15 Co3 N9 O24.4999 -","- C48 H60 Co12 N36 O97.9996 -","4","","","Goswami, Soumyabrata; Biswas, Soumava; Konar, Sanjit","Concomitant spin-canted antiferromagnetic ordering and proton conduction in homometallic and homoleptic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3949","3953","10.1039/c4dt03575e","","","0.71073","MoKα","","0.107","0.0572","","","0.1681","0.1943","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7037969","16.3052","0.0005","16.3052","0.0005","6.9144","0.0003","90","","90","","90","","1838.26","0.11","100","0.2","100","0.2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C4 H20 B20 N2 O2 -","- C4 H20 B20 N2 O1.998 -","- C16 H80 B80 N8 O7.992 -","4","","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.047","0.0438","","","0.1137","0.116","","","","","","1.145","","","","has coordinates,has disorder","177824","2020-10-21","18:00:00",""
"7038175","18.9052","0.0016","18.9052","0.0016","16.5315","0.0014","90","","90","","90","","5908.5","0.9","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C100 H100 F12 Ir4 N12 O12 S4 -","- C100 H100 F12 Ir4 N12 O12 S4 -","- C200 H200 F24 Ir8 N24 O24 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.155","0.0973","","","0.2622","0.3027","","","","","","0.977","","","","has coordinates,has disorder","181684","2020-10-21","18:00:00",""
"7038176","19.927","0.003","19.927","0.003","12.252","0.002","90","","90","","90","","4865.1","1.3","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C84 H88 F12 N8 O16 Rh4 S4 -","- C84 H88 F12 N8 O16 Rh4 S4 -","- C168 H176 F24 N16 O32 Rh8 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.156","0.0647","","","0.1512","0.1845","","","","","","0.903","","","","has coordinates","181684","2020-10-21","18:00:00",""
"7038177","20.111","0.002","20.111","0.002","12.1229","0.0019","90","","90","","90","","4903.1","1","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C76 H104 F12 Ir4 N12 O20 S4 -","- C68 H82 F12 Ir4 N12 O17 S4 -","- C136 H164 F24 Ir8 N24 O34 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.0986","0.0531","","","0.142","0.1589","","","","","","0.941","","","","has coordinates,has disorder","181684","2020-10-21","18:00:00",""
"7038178","20.036","0.003","20.036","0.003","12.234","0.002","90","","90","","90","","4911.2","1.3","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C76 H92 F12 N12 O16 Rh4 S4 -","- C76 H92 F12 N12 O16 Rh4 S4 -","- C152 H184 F24 N24 O32 Rh8 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.0869","0.0576","","","0.1611","0.1768","","","","","","1.037","","","","has coordinates","181684","2020-10-21","18:00:00",""
"7041078","19.4641","0.0002","19.4641","0.0002","8.58573","0.00012","90","","90","","90","","3252.71","0.07","100","","100","","","","","","","","","4","P 42/n","-P 4bc","86","","tris(cyclopentadienyl)titanium(tert-butoxide)","","- C19 H24 O Ti -","- C19 H24 O Ti -","- C152 H192 O8 Ti8 -","8","","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","x-ray","1.54184","CuKα","","0.0328","0.027","","","0.0651","0.0676","","","","","","1.029","","","","has coordinates","190120","2020-10-21","18:00:00",""
"7043329","13.219","0.0004","13.219","0.0004","20.975","0.0005","90","","90","","90","","3665.21","0.18","100","2","100","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H116 N24 O4 Zn10 -","- C64 H116 N24 O4 Zn10 -","- C128 H232 N48 O8 Zn20 -","2","","","Leszczyński, Michał Krzysztof; Justyniak, Iwona; Zelga, Karolina; Lewinski, Janusz","From ethylzinc guanidinate to [Zn10O4]-supertetrahedron","Dalton Trans.","2017","","","","","10.1039/C7DT01619K","","","0.71073","MoKα","","0.0942","0.0588","","","0.1358","0.1522","","","","","","1.079","","","","has coordinates","197837","2020-10-21","18:00:00",""
"7044032","21.616","0.003","21.616","0.003","7.5069","0.0011","90","","90","","90","","3507.6","0.9","273","2","273","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C90 H52 Cl2 Fe2 N18 P -","- C90 H52 Cl2 Fe2 N18 P -","- C180 H104 Cl4 Fe4 N36 P2 -","2","","","Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki","A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines","Dalton Trans.","2017","","","","","10.1039/C7DT02605F","","","0.71073","MoKα","","0.038","0.0326","","","0.093","0.0979","","","","","","0.998","","","","has coordinates","199920","2020-10-21","18:00:00",""
"7044033","21.551","0.013","21.551","","7.586","0.005","90","","90","","90","","3523","3","273","2","273","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C88 H52 Br2 Cl2 Fe2 N16 P -","- C88 H52 Br2 Cl2 Fe2 N16 P -","- C176 H104 Br4 Cl4 Fe4 N32 P2 -","2","","","Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki","A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines","Dalton Trans.","2017","","","","","10.1039/C7DT02605F","","","0.71073","MoKα","","0.0437","0.0337","","","0.0924","0.0981","","","","","","0.974","","","","has coordinates","199920","2020-10-21","18:00:00",""
"7045580","21.528","0.0007","21.528","0.0007","7.5898","0.0002","90","","90","","90","","3517.53","0.19","120","2","120","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C96 H60 Br4 Fe2 N8 P -","- C96 H60 Br4 Fe2 N8 P -","- C192 H120 Br8 Fe4 N16 P2 -","2","","","Nishi, Miki; Ishii, Ryuta; Ikeda, Mitsuo; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Sumimoto, Michinori; Matsuda, Masaki","An electrically conducting crystal composed of an octahedrally ligated porphyrin complex with high-spin iron(iii)","Dalton Transactions","2018","","","","","10.1039/C7DT04649A","","","1.54187","CuKα","","0.0496","0.0423","","","0.1197","0.1248","","","","","","1.04","","","","has coordinates","206322","2020-10-21","18:00:00",""
"7045581","21.658","0.0006","21.658","0.0006","7.6476","0.0002","90","","90","","90","","3587.25","0.17","300","2","300","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C96 H60 Br4 Fe2 N8 P -","- C96 H60 Br4 Fe2 N8 P -","- C192 H120 Br8 Fe4 N16 P2 -","2","","","Nishi, Miki; Ishii, Ryuta; Ikeda, Mitsuo; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Sumimoto, Michinori; Matsuda, Masaki","An electrically conducting crystal composed of an octahedrally ligated porphyrin complex with high-spin iron(iii)","Dalton Transactions","2018","","","","","10.1039/C7DT04649A","","","1.54187","CuKα","","0.0529","0.0425","","","0.12","0.127","","","","","","1.061","","","","has coordinates","206322","2020-10-21","18:00:00",""
"7046713","14.2398","0.0017","14.2398","0.0017","18.844","0.002","90","","90","","90","","3821","0.8","296","2","296.15","","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C32 H38 Dy N4 O18 Zn2 -","- C30 H38 Dy N6 O18 Zn2 -","- C120 H152 Dy4 N24 O72 Zn8 -","4","","","Li, Min; Wu, Haipeng; Wei, Qing; Ke, Hongshan; Yin, Bing; Zhang, Sheng; Lv, Xingqiang; Xie, Gang; Chen, Sanping","Two {ZnII2DyIII} complexes supported by monophenoxido/dicarboxylates bridges with multiple relaxation processes: carboxylato ancillary ligands controlled magnetic anisotropy in square antiprismatic DyIII species","Dalton Transactions","2018","","","","","10.1039/C8DT01842A","","","0.71073","MoKα","","0.0909","0.0552","","","0.1701","0.1956","","","","","","1.03","","","","has coordinates,has disorder","208506","2020-10-21","18:00:00",""
"7047901","11.6","0.003","11.6","0.003","23.772","0.006","90","","90","","90","","3198.8","1.4","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C38 H34 N4 Ni -","- C38 H34 N4 Ni -","- C152 H136 N16 Ni4 -","4","","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl–nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.2082","0.0974","","","0.2898","0.3422","","","","","","0.996","","","","has coordinates","301850","2025-08-21","14:34:54",""
"7048629","16.6882","0.0004","16.6882","0.0004","10.0005","0.0004","90","","90","","90","","2785.1","0.15","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C112 H152 N24 O8 -","8","","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","1.54184","CuKα","","0.0675","0.0487","","","0.1246","0.1427","","","","","","0.946","","","","has coordinates","301850","2025-08-21","14:34:55",""
"7054883","14.8134","0.00016","14.8134","0.00016","17.0733","0.0004","90","","90","","90","","3746.51","0.1","120","0.1","120","0.1","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C43.5 H27 Cl2 F4 Ir N2 O4 -","- C43.5 H27 Cl2 F4 Ir N2 O4 -","- C174 H108 Cl8 F16 Ir4 N8 O16 -","4","","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","0.71073","MoKα","","0.0485","0.0329","","","0.0796","0.0901","","","","","","1.054","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7056508","17.0179","0.0004","17.0179","0.0004","12.9851","0.0004","90","","90","","90","","3760.6","0.17","298","2","298","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C68 H104 Co3 N16 O12 -","- C68 H104 Co3 N16 O12 -","- C136 H208 Co6 N32 O24 -","2","","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","41","18","9784","9795","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0738","0.0391","","","0.0858","0.096","","","","","","1.048","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056947","21.508","0.0005","21.508","0.0005","7.9027","0.0003","90","","90","","90","","3655.74","0.18","293","2","293","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C12 H11.2 F4 N3 O7.6 V -","- C12 H8 F4 N3 O7.595 V -","- C96 H64 F32 N24 O60.76 V8 -","8","","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","42","5","3619","3632","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.1361","0.0938","","","0.2439","0.2729","","","","","","1.024","","","","has coordinates","301442","2025-08-04","07:34:05",""
"7057972","16.6347","0.0004","16.6347","0.0004","12.9722","0.0005","90","","90","","90","","3589.58","0.18","293","2","293","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C8 H39 Cu Mo6 N4.5 O31 -","- C8 H39 Cu Mo6 N4.5 O31 -","- C32 H156 Cu4 Mo24 N18 O124 -","4","","","Fang, Qihua; fu, junhong; Wang, Fei; Qin, Zhaoxian; Ma, Weiguang; Zhang, Jiangwei; Li, Gao","Tris functionalized Cu-centered cyclohexamolybdate molecular armor as bimetallic catalyst for rapid p-nitrophenol hydrogenation","New Journal of Chemistry","2019","43","1","28","36","10.1039/C8NJ04265A","","","0.71073","MoKα","","0.0432","0.0332","","","0.0775","0.0823","","","","","","1.086","","","","has coordinates","301442","2025-08-04","07:34:06",""
"7058021","16.4281","0.0013","16.4281","0.0013","8.3705","0.0006","90","","90","","90","","2259.1","0.3","203","2","203","2","","","","","","","","4","P 42/n","-P 4bc","86","","3,3',5,5'-Tetranitro-4,4'-bipyrazole","","- C6 H2 N8 O8 -","- C6 H2 N8 O8 -","- C48 H16 N64 O64 -","8","","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2019","43","3","1305","1312","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0492","0.0339","","","0.0797","0.0834","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:33:02",""
"7115992","14.5103","0.0015","14.5103","0.0015","20.196","0.003","90","","90","","90","","4252.2","0.9","173.15","","173.15","","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C60 H100 Dy6 Mo4 N6 O50 -","- C58 H64 Dy6 Mo4 N6 O48 -","- C116 H128 Dy12 Mo8 N12 O96 -","2","","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.0318","0.0304","","","0.0716","0.0724","","","","","","1.169","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7118123","21.9388","0.0014","21.9388","0.0014","16.335","0.0011","90","","90","","90","","7862.2","0.9","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C76 H76 Cl12 Dy4 N28 O16 -","- C76 H76 Cl12 Dy4 N28 O16 -","- C152 H152 Cl24 Dy8 N56 O32 -","2","","","Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang","Constructing supramolecular grids: from 4f square to 3d-4f grid","Chem.Commun.","2015","51","","17317","","10.1039/C5cc06960B","","","0.71073","MoKα","","0.1544","0.0817","","","0.2662","0.3436","","","","","","1.051","","","","has coordinates","170729","2020-10-21","18:00:00",""
"7118729","21.6792","0.0001","21.6792","0.0001","9.235","","90","","90","","90","","4340.34","0.03","100","2","100","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C22.88 H19 N10 O0.87 -","- C22.869 H19 N10 O0.869 -","- C182.952 H152 N80 O6.952 -","8","","","Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki","Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.","Chemical communications (Cambridge, England)","2016","52","20","3962","3965","10.1039/c5cc10136k","","","0.7","synchrotron","","0.0539","0.0508","","","0.1469","0.1498","","","","","","1.053","","","","has coordinates","177675","2020-10-21","18:00:00",""
"7121703","31.6082","0.0012","31.6082","0.0012","12.9408","0.0015","90","","90","","90","","12928.9","1.7","93","","93","","","","","","","","","6","P 42/n","-P 4bc","86","","5,5'-(dibenzo[a,j]phenazine-3,11-diyl)bis(10-mesityl-5H-phenophosphazinine 10-sulfide)","","- C64 H50 Cl6 N4 P2 S2 -","- C64 H50 Cl6 N4 P2 S2 -","- C512 H400 Cl48 N32 P16 S16 -","8","","","Takeda, Youhei; Kaihara, Takahito; Okazaki, Masato; Higginbotham, Heather; Data, Przemyslaw; Tohnai, Norimitsu; Minakata, Satoshi","Conformationally-flexible and moderately electron-donating units-installed D–A–D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence","Chemical Communications","2018","","","","","10.1039/C8CC02365D","","","1.54187","CuKα","","0.1125","0.0958","","","0.2739","0.2905","","","","","","1.044","","","","has coordinates","301860","2025-08-22","09:24:07",""
"7122799","23.6145","0.0007","23.6145","0.0007","6.5579","0.0003","90","","90","","90","","3657","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C48 H24 Cu N8 O8 -","- C48 H24 Cu N8 O8 -","- C96 H48 Cu2 N16 O16 -","2","","","Kuang, Xiaofei; Chen, Shan-Ci; Meng, Lingyi; Chen, Jing; Wu, Xiao-Yuan; Zhang, Guan-Hua; Zhong, Guiming; HU, Ting; Li, Yuhang; Lu, Can-Zhong","Supramolecular aggregation of redox-active copper-naphthalenediimide network with intrinsic electron conduction","Chemical Communications","2019","","","","","10.1039/C8CC10269D","","","1.54184","CuKα","","0.0593","0.0475","","","0.1373","0.1445","","","","","","1.004","","","","has coordinates","213017","2020-10-21","18:00:00",""
"7205693","9.5098","0.0005","9.5098","0.0005","10.8333","0.0007","90","","90","","90","","979.72","0.1","200","","200","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C6 H14 N4 S2 -","- C6 H14 N4 S2 -","- C24 H56 N16 S8 -","4","","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0514","0.0296","","","0.0625","0.0685","","","","","","0.921","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7223305","13.836","0.002","13.836","0.002","19.957","0.003","90","","90","","90","","3820.5","1","170","2","170.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H76 N28 O20 Zn4 -","- C64 H76 N28 O20 Zn4 -","- C128 H152 N56 O40 Zn8 -","2","","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0524","0.0427","","","0.1123","0.1207","","","","","","1.182","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7225490","19.9241","0.0013","19.9241","0.0013","5.1153","0.0005","90","","90","","90","","2030.6","0.3","298","2","298","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1008","0.0662","","","0.1117","0.1221","","","","","","1.115","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7226780","28.557","0.002","28.557","0.002","11.9682","0.0009","90","","90","","90","","9760.1","1.2","100","2","100","2","","","","","","","","8","P 42/n","-P 4bc","86","[Os(Cl)(CO)(bpy)(tpp)2]+.PF6-.0.5toluene","","","- C50.5 H42 Cl F6 N2 O Os P3 -","- C50.5 H42 Cl F6 N2 O Os P2.8125 -","- C404 H336 Cl8 F48 N16 O8 Os8 P22.5 -","8","","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.","Physical chemistry chemical physics : PCCP","2016","18","41","28982","28996","10.1039/c6cp05856f","","","0.71073","MoKα","","0.0686","0.0486","","","0.0842","0.0895","","","","","","1.108","","","","has coordinates,has disorder","188313","2020-10-21","18:00:00",""
"7228825","14.6655","0.0002","14.6655","0.0002","5.8852","0.0001","90","","90","","90","","1265.77","0.03","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C3 H9 O4 P -","- C3 H9 O4 P -","- C24 H72 O32 P8 -","8","","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0312","0.0305","","","0.0887","0.0896","","","","","","1.084","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7229091","16.0748","0.0004","16.0748","0.0004","22.7327","0.0013","90","","90","","90","","5874.1","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 N14 O82 S16 Sm10 -","- C28 H112 N14 O82 S16 Sm10 -","- C56 H224 N28 O164 S32 Sm20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0615","0.0373","","","0.1055","0.1221","","","","","","1.092","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229092","16.144","0.006","16.144","0.006","22.809","0.009","90","","90","","90","","5945","4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H138 N14 O82 S16 Tb10 -","- C28 H112 N14 O82 S16 Tb10 -","- C56 H224 N28 O164 S32 Tb20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0989","0.053","","","0.127","0.1392","","","","","","1.112","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229093","15.98","0.0007","15.98","0.0007","22.646","0.002","90","","90","","90","","5782.9","0.6","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Er10 N14 O82 S16 -","- C28 H112 Er10 N14 O82 S16 -","- C56 H224 Er20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1297","0.0981","","","0.181","0.19","","","","","","1.169","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229094","16.0974","0.0013","16.0974","0.0013","22.864","0.0018","90","","90","","90","","5924.7","0.8","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Eu10 N14 O82 S16 -","- C28 H112 Eu10 N14 O82 S16 -","- C56 H224 Eu20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1101","0.0888","","","0.1888","0.1959","","","","","","1.18","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229095","16.0542","0.0005","16.0542","0.0005","22.7238","0.0014","90","","90","","90","","5856.8","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Dy10 N14 O82 S16 -","- C28 H112 Dy10 N14 O82 S16 -","- C56 H224 Dy20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0734","0.0502","","","0.1222","0.1304","","","","","","1.051","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7230652","23.5606","0.00019","23.5606","0.00019","6.92267","0.00008","90","","90","","90","","3842.79","0.06","123","2","123","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C18 H16 I K N6 -","- C18 H16 I K N6 -","- C144 H128 I8 K8 N48 -","8","","","Bulatova, Margarita; Tatikonda, Rajendhraprasad; Hirva, Pipsa; Bulatov, Evgeny; Sievänen, Elina; Haukka, Matti","Controlling the crystal growth of potassium iodide with 1,1´-bis(pyridin-4-ylmethyl)-2,2´-biimidazole ligand (L) - formation of linear [K4I4L4]n polymer with cubic [K4I4] core units","CrystEngComm","2018","","","","","10.1039/C8CE00483H","","","1.54184","CuKα","","0.0288","0.0262","","","0.067","0.0695","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:16",""
"8101332","13.8035","0.001","13.8035","0.001","9.2678","0.0015","90","","90","","90","","1765.9","0.3","566","2","","","","","","","","","","6","P 42/n","","","","","","- C4 H16 Cd Cl2 N8 S4 -","- C4 H16 Cd0.5 Cl2 N8 S4 -","- C16 H64 Cd2 Cl8 N32 S16 -","4","","","Jiang, Xue Ning; Yu, Wen Tao; Yuan, Duo Rong; Xu, Dong; Lv, Meng Kai; Wang, Xin Qiang; Guo, Shi Yi; Jiang, Min Hua","Redetermination of the crystal structure of dichlorotetrakisthioureacadmium, C~4~H~16~CdCl~2~N~8~S~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","499","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","102820","2020-10-21","18:00:00",""