# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:19:57+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 32 2 1' 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
"1502899","11.307","0.004","11.307","0.004","27.871","0.01","90","","90","","120","","3085.9","1.9","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C17 H16 Br N2 O6 S -","- C17 H16 Br N2 O6 S -","- C102 H96 Br6 N12 O36 S6 -","6","1","","Jiang, Xianxing; Zhang, Gen; Fu, Dan; Cao, Yiming; Shen, Fangfang; Wang, Rui","Direct organocatalytic asymmetric aldol reaction of alpha-isothiocyanato imides to alpha-ketoesters under low ligand loading: a doubly stereocontrolled approach to cyclic thiocarbamates bearing chiral quaternary stereocenters.","Organic letters","2010","12","7","1544","1547","10.1021/ol1002829","","","0.71073","MoKα","","0.1869","0.0575","","","0.1187","0.1687","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504279","7.68","0.003","7.68","0.003","37.274","0.019","90","","90","","120","","1904","1.4","120","2","120","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C90 H120 O12 -","6","1","","Magauer, Thomas; Mulzer, Johann; Tiefenbacher, Konrad","Total syntheses of (+)-echinopine A and B: determination of absolute stereochemistry.","Organic letters","2009","11","22","5306","5309","10.1021/ol902263k","","","0.71073","MoKα","","0.0976","0.0713","","","0.1545","0.1635","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504998","13.3413","0.0002","13.3413","0.0002","46.8389","0.0007","90","","90","","120","","7219.94","0.19","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C34 H63 Cl N7 O20.5 -","- C34 H52 Cl N7 O20.5 -","- C204 H312 Cl6 N42 O123 -","6","1","","Norris, Timothy; VanAlsten, John; Hubbs, Stephen; Ewing, Marcus; Cai, Weiling; Jorgensen, Matthew L.; Bordner, Jon; Jensen, Grace O.","Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis)","Organic Process Research & Development","2008","12","3","447","","10.1021/op800055h","","","1.54178","CuKα","","0.0874","0.0787","","","0.2223","0.2294","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505417","9.8192","0.0006","9.8192","0.0006","24.526","0.003","90","","90","","120","","2047.9","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","07009a","","","- C13 H22 O3 -","- C13 H22 O3 -","- C78 H132 O18 -","6","1","","Song, Zhenlei; Hsung, Richard P.","A formal total synthesis of (+)-zincophorin. Observation of an unusual urea-directed Stork-Crabtree hydrogenation.","Organic letters","2007","9","11","2199","2202","10.1021/ol070791a","","","0.71073","MoKα","","0.0343","0.0312","","","0.0817","0.0836","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505579","12.3183","0.0007","12.3183","0.0007","29.975","0.002","90","","90","","120","","3939","0.4","153","2","153","2","","","","","","","synthesis as described","4","P 32 2 1","P 32 2""","154","","","","- C23 H22 N4 O15 -","- C23 H22 N4 O15 -","- C138 H132 N24 O90 -","6","1","","König, Christian M; Harms, Klaus; Koert, Ulrich","Stereoselective synthesis of methyl 7-dihydro-trioxacarcinoside B.","Organic letters","2007","9","23","4777","4779","10.1021/ol702078t","","x-ray","0.71073","MoKα","","0.0851","0.0379","","","0.0507","0.0595","","","","","","0.874","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506186","12.794","0.003","12.794","0.003","24.424","0.007","90","","90","","120","","3462.3","1.5","123","2","123","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C156 H174 N6 O30 -","6","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.059","0.0562","","","0.1574","0.1626","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506952","7.208","","7.208","","42.0575","0.0005","90","","90","","120","","1892.36","0.02","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H17 Br O4 -","- C11 H17 Br O4 -","- C66 H102 Br6 O24 -","6","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.027","0.0251","","","0.0857","0.0979","","","","","","1.152","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508566","11.1313","0.0003","11.1313","0.0003","33.9045","0.0009","90","","90","","120","","3638.14","0.17","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H28 Cl3 N O6 -","- C20 H26 Cl3 N O6 -","- C120 H156 Cl18 N6 O36 -","6","1","","Amagata, Taro; Xiao, Jing; Chen, Yi-Pei; Holsopple, Nicholas; Oliver, Allen G.; Gokey, Trevor; Guliaev, Anton B.; Minoura, Katsuhiko","Creation of an HDAC-Based Yeast Screening Method for Evaluation of Marine-Derived Actinomycetes: Discovery of Streptosetin A.","Journal of natural products","2012","75","12","2193","2199","10.1021/np300640g","","","1.54178","CuKα","","0.1032","0.0942","","","0.2665","0.2793","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1509707","6.63","","6.63","","16.7","","90","","90","","120","","635.732","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Rb (Ag2 Sb S4)","","- Ag2 Rb S4 Sb -","- Ag2 Rb S4 Sb -","- Ag6 Rb3 S12 Sb3 -","3","0.5","","Schimek, G.L.; Kolis, J.W.; Wood, P.T.; Pennington, W.T.","Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb)","Journal of Solid State Chemistry","1996","123","","277","284","10.1006/jssc.1996.0179","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511443","7.114","","7.114","","6.993","","90","","90","","120","","306.494","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Ba (B P O5)","","- B Ba O5 P -","- B Ba O5 P -","- B3 Ba3 O15 P3 -","3","0.5","","Dimitrova, O.V.; Pushcharovskii, D.Yu.; Gobechiya, E.R.; Pasero, M.; Merlino, S.","Hydrothermal synthesis and crystal structures of (Li, Ba)- nanoborate, Li Ba B9 O15, and Ba-borophosphate, Ba B P O5","Journal of Alloys Compd.","2002","339","","70","75","10.1016/S0925-8388(01)02017-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511444","7.1329","","7.1329","","7.0368","","90","","90","","120","","310.055","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Ba (B P O5)","","- B Ba O5 P -","- B Ba O5 P -","- B3 Ba3 O15 P3 -","3","0.5","","Du Chenxia; Wu Xicheng; Pan Shilie; Fu Peizhen; Chen Chuangyan; Zhang Guochun","Study on the growth, structure of nonlinear optical crystal Ba B P O5","Rengong Jingti Xuebao","2003","32","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513030","12.1793","0.0006","12.1793","0.0006","26.9353","0.0013","90","","90","","120","","3460.2","0.3","213","2","213","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","catena-((μ~2~-Biphenyl-2,2'-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-cadmium(ii))","","- C24 H22 Cd N4 O4 -","- C24 H22 Cd N4 O4 -","- C144 H132 Cd6 N24 O24 -","6","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0254","0.0201","","","0.0425","0.0436","","","","","","0.808","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517229","17.4587","0.0006","17.4587","0.0006","10.7319","0.0004","90","","90","","120","","2832.9","0.17","298","2","298","2","","","","","","","as described","3","P 32 2 1","P 32 2""","154","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C120 H192 O18 -","6","1","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0764","0.0509","","","0.1122","0.1192","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521020","8.602","","8.602","","10.665","","90","","90","","120","","683.424","","","","","","","","","","","","","3","P 32 2 1","P 32 2""","154","","(Xe2 F3) (As F6)","","- As F9 Xe2 -","- As F9 Xe2 -","- As3 F27 Xe6 -","3","0.5","","Fir, B.A.; Schrobilgen, G.J.D.; Pointner, B.E.; Mercier, H.P.A.; Gerken, M.; Dixon, D.A.","An X-ray crystallographic study of (Xe2 F3) (Sb F6) and dimorphism in (Xe2 F3) (As F6): and a density functional theory study of the (Xe2 F3)(+) cation","Journal of Fluorine Chemistry","2000","105","","159","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529077","29.93","0.006","29.93","0.006","28.878","0.006","90","","90","","120","","22403","8","100","2","100","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C679.8 H533.7 Cl12 Cu12 F144 N93.9 O84 S12 -","6","1","","Mortezaei, Shahab; Catarineu, Noelle R.; Duan, Xueyou; Hu, Chunhua; Canary, James W.","Redox-configurable ambidextrous catalysis: structural and mechanistic insight","Chem. Sci.","2015","6","10","5904","","10.1039/C5SC02144H","","","0.71073","MoKα","","0.0974","0.0782","","","0.2086","0.2228","","","","","","1.005","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529316","14.064","0.003","14.064","0.003","27.143","0.005","90","","90","","120","","4649.5","1.6","110","2","110","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C70 H79 Co2 N9 O4 -","- C70 H79 Co2 N9 O4 -","- C210 H237 Co6 N27 O12 -","3","0.5","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","0.71073","MoKα","","0.1305","0.0814","","","0.2058","0.2493","","","","","","1.052","","","","has coordinates,has disorder","170996","2020-10-21","18:00:00",""
"1529859","12.075","0.0014","12.075","0.0014","26.601","0.003","90","","90","","120","","3358.9","0.7","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H17 Br F3 N O4 -","- C24 H17 Br F3 N O4 -","- C144 H102 Br6 F18 N6 O24 -","6","1","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.098","0.0566","","","0.1192","0.1357","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531847","6.61","","6.61","","7.031","","90","","90","","120","","266.042","","","","","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- Ca Ir2 P2 -","- Ca Ir2 P2 -","- Ca3 Ir6 P6 -","3","0.5","","Loehken, A.; Mewis, A.; Johrendt, D.; Lux, C.","Kristall- und elektronische Strukturen von A Ir2 P2 (A: Ca - Ba)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1472","1476","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532512","4.8915","","4.8915","","5.3885","","90","","90","","120","","111.656","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kroll, P.; Milko, M.","Theoretical investigation of the solid state reaction of silicon nitride and silicon dioxide forming silicon oxynitride (Si2 N2 O) under pressure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1737","1750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535066","5.02","","5.02","","5.56","","90","","90","","120","","121.342","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Massidda, S.; Continenza, A.; Freeman, A.J.; de Pascale, T.M.; Meloni, F.; Serra, M.","Interatomic potentials and the structural properties of silicon dioxide under pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","","10866","10869","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536406","5.0837","","5.0837","","5.4955","","90","","90","","120","","122.998","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Di Pompinio, A.; Continenza, A.","Structural properties of alpha-quartz under high pressure and amorphization effects","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","12558","12565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536409","4.5404","","4.5404","","5.1761","","90","","90","","120","","92.411","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Di Pompinio, A.; Continenza, A.","Structural properties of alpha-quartz under high pressure and amorphization effects","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","12558","12565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537251","18.9915","","18.9915","","12.5935","","90","","90","","120","","3933.65","","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","K2 (H2 O)4 H2 Si Mo12 O40 (H2 O)7","","- H24 K2 Mo12 O51 Si -","- K2 Mo12 O51 Si -","- K6 Mo36 O153 Si3 -","3","0.5","","Gao, S.; Cao, R.; Bi, W.; Lin, Z.; Li, X.","Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units","Microporous and Mesoporous Materials","2005","80","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537254","18.93","","18.93","","12.491","","90","","90","","120","","3876.4","","","","","","","","","","","","","6","P 32 2 1","P 32 2""","154","","K2 Na2 (H2 O)4 Si W12 O40 (H2 O)4","","- H16 K2 Na2 O48 Si W12 -","- K2 Na2 O48 Si W12 -","- K6 Na6 O144 Si3 W36 -","3","0.5","","Gao, S.; Lin, Z.; Cao, R.; Bi, W.; Li, X.","Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units","Microporous and Mesoporous Materials","2005","80","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537351","6.706","","6.706","","17.412","","90","","90","","120","","678.12","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","V7 S8","","- S8 V7 -","- S8 V7 -","- S24 V21 -","3","0.5","","Groenvold, F.; Pedersen, B.; Haraldsen, H.; Tufte, T.","X-Ray and Magnetic Study of Vanadium Sulfides in the Range V5 S4 to V5 S8","Revue de Chimie Minerale","1969","6","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","165459","2020-10-21","18:00:00",""
"1538064","4.91304","","4.91304","","5.40463","","90","","90","","120","","112.979","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hanic, F.; Sumichrast, L.","Alpha-beta phase transition in quartz","Silikaty","1974","18","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544367","9.044","0.0016","9.044","0.0016","40.737","0.01","90","","90","","120","","2885.6","1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H20.24 Cl2 Co N4 O0.12 -","- C19 H20 Cl2 Co N4 O0.122 -","- C114 H120 Cl12 Co6 N24 O0.732 -","6","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.0651","0.0535","","","0.1076","0.1154","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544488","18.458","0.0002","18.458","0.0002","28.8647","0.0004","90","","90","","120","","8516.61","0.18","130","","130","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C25 H36 O9 -","- C25 H36 O9 -","- C300 H432 O108 -","12","2","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0598","0.0512","","","0.1372","0.1445","","","","","","0.999","","","","has coordinates","187850","2020-10-21","18:00:00",""
"1544491","18.4959","0.0002","18.4959","0.0002","28.8516","0.0005","90","","90","","120","","8547.7","0.2","130","","130","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C25 H36 O9 -","- C25 H36 O9 -","- C300 H432 O108 -","12","2","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0996","0.0875","","","0.2443","0.2594","","","","","","1.087","","","","has coordinates","187853","2020-10-21","18:00:00",""
"1546080","12.8153","0.0016","12.8153","0.0016","38.817","0.005","90","","90","","120","","5520.9","1.2","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C168 H144 Br18 Fe6 N24 O48 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0409","0.0379","","","0.1091","0.1104","","","","","","1.04","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546081","13.2429","0.001","13.2429","0.001","38.38","0.003","90","","90","","120","","5829.1","0.8","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C168 H144 Br18 Cr6 N18 O42 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0605","0.0512","","","0.1432","0.1521","","","","","","0.971","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546082","12.7708","0.0005","12.7708","0.0005","39.0709","0.0012","90","","90","","120","","5518.5","0.3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C162 H144 Cl18 Co9 Fe6 N18 O36 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0887","0.0732","","","0.2109","0.2322","","","","","","1.02","","","","has coordinates","196811","2020-10-21","18:00:00",""
"1546099","17.1874","0.0008","17.1874","0.0008","42.085","0.002","90","","90","","120","","10766.6","0.9","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H36 O11 -","- C20 H36 O11 -","- C360 H648 O198 -","18","3","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0633","0.0607","","","0.1674","0.1709","","","","","","1.018","","","","has coordinates,has disorder","197507","2020-10-21","18:00:00",""
"1551357","10.5506","0.0004","10.5506","0.0004","25.221","0.0012","90","","90","","120","","2431.35","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H32 F12 Mn N6 Sb2 -","- C24 H32 F12 Mn N6 Sb2 -","- C72 H96 F36 Mn3 N18 Sb6 -","3","0.5","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","0.71073","MoKα","","0.0214","0.0204","","","0.042","0.0423","","","","","","1.13","","","","has coordinates","215875","2020-10-21","18:00:00",""
"1552560","6.6465","0.0002","6.6465","0.0002","43.3632","0.0014","90","","90","","120","","1658.97","0.09","295.71","0.13","295.71","0.13","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C60 H78 F6 N12 O30 -","6","1","","Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin","Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.","Journal of medicinal chemistry","2019","62","13","6346","6362","10.1021/acs.jmedchem.9b00781","","x-ray","1.54184","CuKα","","0.0337","0.0309","","","0.0758","0.0779","","","","","","1.062","","","","has coordinates","222070","2020-10-21","18:00:00",""
"1553399","11.686","0.0002","11.686","0.0002","29.8596","0.0006","90","","90","","120","","3531.4","0.11","296","2","296","2","","","","","","","","3","P 32 2 1","P 32 2""","154","(+) Mangostafeejin A","","","- C25 H28 O9 -","- C25 H28 O9 -","- C150 H168 O54 -","6","1","","Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J.","Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton.","Journal of natural products","2018","81","10","2244","2250","10.1021/acs.jnatprod.8b00519","","","1.54178","CuKα","","0.06","0.0435","","","0.113","0.1239","","","","","","1.006","","","","has coordinates,has disorder","234233","2020-10-21","18:00:00",""
"1554046","11.549","0.005","11.549","0.005","27.874","0.005","90","0.005","90","0.005","120","0.005","3220","2","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C53 H47 N O6 -","- C53 H47 N O6 -","- C159 H141 N3 O18 -","3","0.5","","Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry","Unusual Chiroptical Properties of the Cryptophane-222 Skeleton.","The journal of physical chemistry. B","2016","120","49","12650","12659","10.1021/acs.jpcb.6b09771","","","1.5418","CuKα","","0.0472","0.0468","","","0.1252","0.1258","","","","","","1.04","","","","has coordinates,has disorder","236489","2020-10-21","18:00:00",""
"1555005","11.32263","0.00012","11.32263","0.00012","35.383","0.0004","90","","90","","120","","3928.44","0.07","150","","150","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H32 N4 O2 -","- C28 H32 N4 O2 -","- C168 H192 N24 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0529","0.0514","","0.1369","0.1355","0.1369","","","","","","0.9984","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555272","16.523","0.0016","16.523","0.0016","19.4","0.002","90","","90","","120","","4586.8","0.8","100","","100","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C18 H12 O20 -","- C18 H12 O20 -","- C108 H72 O120 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1344","0.0777","","","0.1893","0.2266","","","","","","0.981","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1556008","18.4813","0.0006","18.4813","0.0006","16.4257","0.0005","90","","90","","120","","4858.7","0.3","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C29.5 H29 Cl N2 O3 S -","- C29.5 H29 Cl N2 O3 S -","- C177 H174 Cl6 N12 O18 S6 -","6","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0703","0.0655","","","0.1751","0.1788","","","","","","1.088","","","","has coordinates,has disorder","239330","2020-10-21","18:00:00",""
"1557233","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi,; Zaccarini,; Ifandi,; Tsikouras,; Stanley,; Garuti,; Mauro,","Grammatikopoulosite, NiVP, a New Phosphide from the Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","2","131","","10.3390/min10020131","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","247874","2020-10-21","18:00:00",""
"1557744","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi, Luca; Zaccarini, Federica; Bonazzi, Paola; Grammatikopoulos, Tassos; Tsikouras, Basilios; Stanley, Chris; Garuti, Giorgio","Eliopoulosite, V7S8, A New Sulfide from the Podiform Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","3","245","","10.3390/min10030245","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","250387","2020-10-21","18:00:00",""
"1559678","14.8922","0.0007","14.8922","0.0007","12.7663","0.0006","90","","90","","120","","2452","0.2","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","0.71073","MoKα","","0.0643","0.0449","","","0.1174","0.1389","","","","","","1.168","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559680","15.0465","0.0005","15.0465","0.0005","12.6619","0.0004","90","","90","","120","","2482.56","0.14","195","","195","","","","","","","","","5","P 32 2 1","P 32 2""","154","SHF-81-DMF","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0374","0.0345","","","0.0971","0.1054","","","","","","1.176","","","","has coordinates,has disorder","261707","2021-02-04","23:21:54",""
"1560527","11.3287","0.0004","11.3287","0.0004","29.3678","0.0014","90","","90","","120","","3264.1","0.2","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C40 H52 B20 -","- C40 H52 B20 -","- C120 H156 B60 -","3","0.5","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0555","0.0514","","","0.123","0.1259","","","","","","1.077","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1561684","18.5696","0.0006","18.5696","0.0006","12.0128","0.0006","90","","90","","120","","3587.4","0.2","103","2","103","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C27 H9 Co3 O18 -","- C27 H9 Co3 O18 -","- C81 H27 Co9 O54 -","3","0.5","","Yu, Xianglin; Toh, Yong Siang; Zhao, Jun; Nie, Lina; Ye, Kaiqi; Wang, Yue; Li, Dongsheng; Zhang, Qichun","Surfactant-thermal method to prepare two new cobalt metal-organic frameworks","Journal of Solid State Chemistry","2015","232","","14","18","10.1016/j.jssc.2015.08.048","","","0.71073","MoKα","","0.0715","0.0456","","","0.1096","0.1202","","","","","","0.991","","","","has coordinates,has disorder","264083","2021-04-13","09:25:54",""
"1562010","45.122","0.006","45.122","0.006","49.238","0.01","90","","90","","120","","86818","2","173","2","173","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C182.67 H102 O60 P3 Zr9 -","- C183 H102 O60 P3 Zr9 -","- C1098 H612 O360 P18 Zr54 -","6","1","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","0.71073","MoKα","","0.1213","0.0872","","","0.2634","0.2897","","","","","","0.964","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1564151","11.5916","0.0002","11.5916","0.0002","34.5612","0.0005","90","","90","","120","","4021.67","0.11","290.73","0.1","290.73","0.1","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C52 H60 N4 O4 S2 Zn2 -","- C52 H60 N4 O4 S2 Zn2 -","- C156 H180 N12 O12 S6 Zn6 -","3","0.5","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.0627","0.0548","","","0.1313","0.1368","","","","","","1.026","","","","has coordinates","267546","2021-07-15","07:38:13",""
"1564799","11.4588","0.0001","11.4588","0.0001","28.4455","0.0002","90","","90","","120","","3234.61","0.05","108","3","108","3","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C23 H33 Cl O5 -","- C23 H33 Cl O5 -","- C138 H198 Cl6 O30 -","6","1","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0302","0.0299","","","0.0793","0.0798","","","","","","1.052","","","","has coordinates","269517","2021-10-03","23:46:14",""
"1566004","13.8128","0.0019","13.8128","0.0019","33.7","0.007","90","","90","","120","","5568.3","1.6","120","2","120","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C32.5 H58.5 B1.5 Na O8 Tb -","- C32.5 H52.5 B1.5 Na O8 Tb -","- C195 H315 B9 Na6 O48 Tb6 -","6","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.0835","0.0718","","","0.203","0.2181","","","","","","0.99","","","","has coordinates,has disorder","272094","2022-01-18","08:32:29",""
"1566397","14.8052","0.0007","14.8052","0.0007","19.695","0.002","90","","90","","120","","3738.7","0.5","80.1","0.7","80.1","0.7","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C42 H34 F12 Fe N14 P2 S4 -","- C42 H34 F12 Fe N14 P2 S4 -","- C126 H102 F36 Fe3 N42 P6 S12 -","3","0.5","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0763","0.0609","","","0.1481","0.1571","","","","","","1.13","","","","has coordinates","273036","2022-02-18","23:15:34",""
"1571164","9.5838","0.0003","9.5838","0.0003","23.227","0.0008","90","","90","","120","","1847.56","0.1","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C6 H17 Br3 N2 O -","- C6 H17 Br3 N2 O -","- C36 H102 Br18 N12 O6 -","6","1","CT5016","Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej","Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.","IUCrJ","2022","9","Pt 5","544","550","10.1107/S2052252522006406","","x-ray","0.71073","MoKα","","0.0705","0.0415","","","0.0652","0.074","","","","","","1.08","","","","has coordinates,has disorder","290375","2024-03-07","03:07:04",""
"1571445","10.9067","0.0008","10.9067","0.0008","31.97","0.004","90","","90","","120","","3293.5","0.5","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C2.571 H4.146 Cu0.143 N0.857 O -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M.; Kumar, Jatish","Engineering copper plasmonic chirality via ligand-induced dissolution for enantioselective recognition of amino acids","Chemical Science","2024","","","","","10.1039/D4SC00477A","","","0.71073","MoKα","","0.0717","0.0677","","","0.1608","0.1631","","","","","","1.032","","","","has coordinates","291234","2024-04-16","22:22:47",""
"2000936","9.437","0.001","9.437","0.001","10.69","0.001","90","","90","","120","","824.47","0.15","295","","","","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C24 H48 N6 O12 -","3","0.5","AB1002","Rychlewska, U.","Unusual conformation of (<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyltartramide (I) and its <i>O</i>,<i>O</i>'-dibenzoyl derivative (II)","Acta Crystallographica Section C","1992","48","5","965","969","10.1107/S0108270192000921","","","1.54178","CuKα","","","0.035","","","0.05","","","","","4","4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001920","8.789","0.002","8.789","0.002","21.245","0.008","90","","90","","120","","1421.2","0.7","298","","","","","","","","","","","3","P 32 2 1","P 32 2""","","","","","- C12 H30 O15 -","- C12 H38 O15 -","- C36 H114 O45 -","3","0.5","HL1014","Lee, C.-K.; Koh, L. L.","Structure of β,β-trehalose","Acta Crystallographica Section C","1993","49","3","621","624","10.1107/S010827019200982X","","","0.71069","MoKα","","","0.029","","","0.031","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002039","11.831","0.002","11.831","0.002","19.948","0.007","90","","90","","120","","2418.1","1","","","","","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C84 H150 N6 O30 -","6","1","AL1005","Gallagher, T.; Giles, M. E.; Mahon, M. F.; Molloy, K. C.; Hadley, M. S.","Structure of 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-<i>O</i>-isopropylidene-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>gluco</i>-octitol: a key intermediate in the enantioselective synthesis of 8-epicastanospermine","Acta Crystallographica Section C","1993","49","1","40","42","10.1107/S0108270192004517","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002576","3.833","0.003","3.833","0.003","18.98999","0.015","90","","90","","120","","241.6","","","","","","","","","","","","","3","P 32 2 1","P 32 2""","154","","Strontium mercurate","","- Hg O2 Sr -","- Hg O2 Sr -","- Hg3 O6 Sr3 -","3","0.5","","Soll, M; Mueller-Buschbaum, Hk","Sr Hg O2: ein Oxomercurate mit Delafossitstruktur","Journal of the Less-Common Metals","1991","175","","295","299","10.1016/0022-5088(91)90015-V","","","","","","0.14","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002733","7.137","0.001","7.137","0.001","10.017","0.002","90","","90","","120","","441.9","","","","","","","","","","","","","3","P 32 2 1","P 32 2""","154","","Trimercury dioxide chromate(V)","","- Cr Hg3 O6 -","- Cr Hg3 O6 -","- Cr3 Hg9 O18 -","3","0.5","","Hansen, T; Mueller-Buschbaum, Hk; Walz, L","Einkristallroentgenstrukturanalyse an Quecksilberchromat(VI): Hg3 O2 Cr O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","47","50","","","","","","","0.0768","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004102","7.019","0.001","7.019","0.001","12.925","0.002","90","","90","","120","","551.46","0.14","296","","296","","","","","","","","","5","P 32 2 1","P 32 2""","154","sodium cerium sulfate monohydrate","","","- Ce H2 Na O9 S2 -","- Ce H2 Na O10 S2 -","- Ce3 H6 Na3 O30 S6 -","3","0.5","BR1102","Blackburn, A. C.; Gerkin, R. E.","Redetermination of Sodium Cerium(III) Sulfate Monohydrate, NaCe(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1995","51","11","2215","2218","10.1107/S0108270195006135","","","0.71073","MoKα","","","0.017","","","0.03","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004545","9.691","0.002","9.691","0.002","24.841","0.006","90","","90","","120","","2020.4","0.8","140","2","140","2","","","","","","","","3","P 32 2 1","P 32 2""","154","1,4-benzoquinonebis(1,2-diphenylethyleneketal)","1,4,9,12-Tetraoxa-2,3,10,11-tetraphenyldispiro[4.2.4.2]tetradeca-6,13-diene","","- C34 H28 O4 -","- C34 H28 O4 -","- C102 H84 O12 -","3","0.5","SZ1047","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L.","2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene","Acta Crystallographica Section C","1996","52","2","379","381","10.1107/S0108270195012327","","","0.71069","MoKα","","0.0442","0.0309","","0.0629","0.061","","","","0.892","0.982","0.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010041","9.48","0.002","9.48","0.002","24.792","0.002","90","","90","","120","","1929.6","0.6","296","","296","","","","","","","","","4","P 32 2 1","P 32 2""","154","","(Z,Z)-5-anilino-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene-2-amine","","- C10 H8 F6 N4 -","- C10 H8 F6 N4 -","- C60 H48 F36 N24 -","6","1","HU1096","Abdul-Ghani, Mohamad; Beagley, Brian; Pritchard, Robin G.; Tipping, Anthony E.","(<i>Z</i>,<i>Z</i>)-5-Anilino-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene-2-amine","Acta Crystallographica Section C","1994","50","9","1492","1494","10.1107/S0108270194003720","","","0.71069","MoKα","","","0.065","","","0.03","","","","","2.37","2.37","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013672","8.851","0.0002","8.851","0.0002","44.886","0.0008","90","","90","","120","","3045.27","0.11","293","","293","","","","","","","","","5","P 32 2 1","P 32 2""","154","Pergolide mesylate","8β-[(methylsulfanyl)methyl]-6-propylergolinium methanesulfonate","","- C20 H30 N2 O3 S2 -","- C20 H30 N2 O3 S2 -","- C120 H180 N12 O18 S12 -","6","1","SK1650","Jegorov, Alexandr; Horák, Zdeněk; Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana","Pergolide mesylate form II","Acta Crystallographica Section C","2003","59","10","o575","o576","10.1107/S0108270103017499","","","0.71073","MoKα","","0.0434","0.0304","","0.0413","0.0343","0.0343","","","","","","1.1514","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015448","9.7859","0.0007","9.7859","0.0007","20.3813","0.0014","90","","90","","120","","1690.3","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","7-Deaza-2,8-diazaadenosine","4-amino-7-(β-D-ribofuranosyl)-7H-pyrazolo[3,4-d][1,2,3]triazine","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","JZ3014","Lin, Wen-Qing; Ming, Xin; Eickmeier, Henning; Seela, Frank","7-Deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2006","62","7","o379","o381","10.1107/S010827010601818X","","","0.71073","MoKα","","0.0546","0.0443","","","0.1185","0.1253","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017432","12.0797","0.0017","12.0797","0.0017","28.326","0.006","90","","90","","120","","3579.5","1","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(7<i>S</i>)-<i>N</i>-[4-(3-thienyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3- carbonyl]-2,10-camphorsultam tetrahydrofuran hemisolvate","","- C26 H33 N O3.5 S2 -","- C26 H33 N O3.5 S2 -","- C156 H198 N6 O21 S12 -","6","1","GA3134","Goodreid, Jordan D.; Jennings, Michael C.; Tam, William","Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes","Acta Crystallographica Section C","2009","65","12","o649","o652","10.1107/S0108270109045284","","","0.71073","MoKα","","0.0595","0.0378","","","0.0767","0.0841","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018446","15.12762","0.00013","15.12762","0.00013","21.0223","0.0002","90","","90","","120","","4166.31","0.06","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0418","0.0406","","0.1144","0.1127","0.1144","","","","","","1.0184","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018447","15.4995","0.0002","15.4995","0.0002","21.1346","0.0003","90","","90","","120","","4397.04","0.1","250","","250","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0611","0.0493","","0.1782","0.1542","0.1782","","","","","","0.9568","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018448","15.1327","0.0003","15.1327","0.0003","20.9326","0.0004","90","","90","","120","","4151.32","0.14","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0444","0.0408","","0.128","0.1203","0.128","","","","","","0.9825","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2020169","7.5003","","7.5003","","18.413","","90","","90","","120","","897.041","","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","Cd Ca (N O2)4 (H2 O)4","","- Ca Cd H8 N4 O12 -","- Ca Cd H8 N4 O12 -","- Ca3 Cd3 H24 N12 O36 -","3","0.5","","Aoyama, T.; Saito, Y.; Ohba, S.","Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.","Acta Crystallographica C (39,1983-)","1988","44","","1703","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2021065","9.4796","0.0014","9.4796","0.0014","11.164","0.003","90","","90","","120","","868.8","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C45 H42 O3 -","3","0.5","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0533","0.0428","","","0.1045","0.1126","","","","","","1.019","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2022158","9.794","0.0003","9.794","0.0003","19.8673","0.0008","90","","90","","120","","1650.4","0.1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","Bis(8-methoxyquinoline-κ^2^<i>N</i>,<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)","","- C22 H18 Cu N4 O2 S2 -","- C22 H18 Cu N4 O2 S2 -","- C66 H54 Cu3 N12 O6 S6 -","3","0.5","LF3115","Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai","Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620006701","","x-ray","0.71073","MoKα","","0.0645","0.054","","","0.1408","0.1487","","","","","","1.113","","","","has coordinates","252976","2020-10-21","18:00:00",""
"2100188","4.91427","0.00012","4.91427","","5.4058","0.0002","90","","90","","120","","113.06","0.005","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","LC5015","Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil","On the structure of aragonite","Acta Crystallographica Section B","2005","61","2","129","132","10.1107/S0108768105005240","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102861","10.183","0.001","10.183","0.001","10.796","0.001","90","","90","","120","","969.49","0.16","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","R,R-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C36 H72 O12 -","6","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0398","0.0331","","","0.0713","0.0755","","","","","","1.082","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102862","10.229","0.001","10.229","0.001","10.909","0.001","90","","90","","120","","988.51","0.16","293","2","293","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","R,R-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C36 H72 O12 -","6","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0383","0.0307","","","0.0762","0.0796","","","","","","1.061","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103347","9.971","","9.971","","28.304","","90","","90","","120","","2437","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C32 H46 O8 S -","- C32 O8 S -","- C96 O24 S3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103349","12.7701","","12.7701","","9.9409","","90","","90","","120","","1403.93","","","","","","","","","","","","","5","P 32 2 1","","","","","","- C18 H18 N2 Ni2 O9 -","- C18 H12 N2 Ni2 O10 -","- C54 H36 N6 Ni6 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103357","8.154","","8.154","","5.512","","90","","90","","120","","317.381","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C2 H3 N2 P -","- C2 H4 N2 P -","- C6 H12 N6 P3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103358","8.1218","","8.1218","","5.8196","","90","","90","","120","","332.452","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C2 H3 As N2 -","- C2 H4 As N2 -","- C6 H12 As3 N6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103361","7.373","","7.373","","10.878","","90","","90","","120","","512.116","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C5 H13 B N2 -","- C5 H10 B N2 -","- C15 H30 B3 N6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103364","12.9751","","12.9751","","29.685","","90","","90","","120","","4328.02","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C52 H58 F12 O12 P2 Rh2 -","- C52 H52 F12 O12 P2 Rh2 -","- C156 H156 F36 O36 P6 Rh6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103367","13.178","","13.178","","21.043","","90","","90","","120","","3164.74","","","","","","","","","","","","","5","P 32 2 1","","","","","","- C34 H54 N2 Ni2 Si4 -","- C34 N2 Ni2 Si4 -","- C102 N6 Ni6 Si12 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103370","7.8645","","7.8645","","23.895","","90","","90","","120","","1279.91","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C17 H24 N4 O3 -","- C17 N4 O3 -","- C51 N12 O9 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103372","8.986","","8.986","","19.04","","90","","90","","120","","1331.47","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C10 H7 Cr2 Cu N2 O10 -","- C10 H6 Cr2 Cu N2 O10 -","- C30 H18 Cr6 Cu3 N6 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103374","22.753","","22.753","","53.02","","90","","90","","120","","23771","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C216 H180 Hg32 Se50 -","- C216 Hg32 Se50 -","- C648 Hg96 Se150 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103375","14.305","","14.305","","32.852","","90","","90","","120","","5821.95","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C22 H28 I O2 P2 V -","- C22 I O2 P2 V -","- C198 I9 O18 P18 V9 -","9","1.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103376","9.865","","9.865","","44.179","","90","","90","","120","","3723.41","","","","","","","","","","","","","5","P 32 2 1","","","","","","- C56 H42 N4 O9 Zn2 -","- C56 N4 O9 Zn2 -","- C168 N12 O27 Zn6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103377","11.026","","11.026","","27.253","","90","","90","","120","","2869.33","","","","","","","","","","","","","7","P 32 2 1","","","","","","- C37 H44 Cl Fe2 N2 O6 Pd2 -","- C37 H44 Cl2 Fe2 N2 O6 Pd2 -","- C111 H132 Cl6 Fe6 N6 O18 Pd6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103381","12.115","","12.115","","36.851","","90","","90","","120","","4684.11","","","","","","","","","","","","","3","P 32 2 1","","","","","","- C30.5 H47 O9.5 -","- C29 O9 -","- C174 O54 -","6","1","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103384","15.71","","15.71","","40.067","","90","","90","","120","","8563.87","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C50 H46 N5 O21 P4 Pr -","- C50 N5 O21 P4 Pr -","- C300 N30 O126 P24 Pr6 -","6","1","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2104300","11.873","0.002","11.873","0.002","43.046","0.009","90","","90","","120","","5255.1","1.7","140","0.5","140","0.5","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C44 H30 N2 O8 -","- C44 H30 N2 O8 -","- C264 H180 N12 O48 -","6","1","SO5018","Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek","Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods","Acta Crystallographica Section B","2009","65","1","86","95","10.1107/S0108768108041827","","","0.71073","MoKα","","0.0996","0.0509","","","0.1051","0.126","","","","","","0.965","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104972","14.1681","0.0002","14.1681","0.0002","13.4241","0.0002","90","","90","","120","","2333.67","0.06","296","2","296","2","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ca H1.25 O4.625 Se -","- Ca H1.25 O4.625 Se -","- Ca24 H30 O111 Se24 -","24","4","SN5102","Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang","CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure","Acta Crystallographica Section B","2011","67","4","293","301","10.1107/S0108768111018544","","","0.71073","MoKα","","0.0514","0.0329","","","0.0683","0.0738","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104973","14.1035","0.0007","14.1035","0.0007","13.3622","0.001","90","","90","","120","","2301.8","0.2","100","2","100","2","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ca H1.25 O4.625 Se -","- Ca H1.25 O4.625 Se -","- Ca24 H30 O111 Se24 -","24","4","SN5102","Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang","CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure","Acta Crystallographica Section B","2011","67","4","293","301","10.1107/S0108768111018544","","","0.71073","MoKα","","0.0433","0.0327","","","0.0791","0.0817","","","","","","1.178","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105041","13.869","0.0004","13.869","0.0004","12.7189","0.0001","90","","90","","120","","2118.7","0.09","296","2","296","2","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ca H1.25 O4.625 S -","- Ca H1.25 O4.625 S -","- Ca24 H30 O111 S24 -","24","4","SN5106","Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang","Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O","Acta Crystallographica Section B","2011","67","6","467","475","10.1107/S0108768111041759","","","0.71073","MoKα","","0.0608","0.0388","","","0.0955","0.1079","","","","","","1.029","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106355","4.765","","4.765","","5.296","","90","","90","","120","","104.137","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","d'Amour, H.; Denner, W.; Schulz, H.","Structure determination of alpha-quartz up to 68*10exp8 Pa","Acta Crystallographica B (24,1968-38,1982)","1979","35","","550","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108369","5.79842","0.00012","5.79842","0.00012","9.2341","0.0003","90","","90","","120","","268.871","0.012","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","N2H4WO3","","- H4 N2 O3 W -","- H4 N2 O3 W -","- H12 N6 O9 W3 -","3","0.5","","Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F.","Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000064","powder diffraction","","","neutron","","","","","","","","","4.4464","1.932","","","","","","","has coordinates,has Fobs","214119","2020-10-21","18:00:00",""
"2201499","5.3906","0.001","5.3906","0.001","40.964","0.015","90","","90","","120","","1030.9","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","S,S'-(But-2-yne-1,4-diyl)bis(L-cysteine) monohydrate","","- C10 H18 N2 O5 S2 -","- C10 H18 N2 O5 S2 -","- C30 H54 N6 O15 S6 -","3","0.5","LH6006","Shi, Yun-Mei; Zhang, Wen-Qin","<i>S,S</i>'-(But-2-yne-1,4-diyl)bis(<small>L</small>-cysteine) monohydrate","Acta Crystallographica Section E","2002","58","12","o1455","o1457","10.1107/S1600536802021487","","","0.71073","MoKα","","0.0611","0.0428","","","","0.0941","","","","","","0.985","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202292","10.1659","0.0007","10.1659","0.0007","13.1601","0.0009","90","","90","","120","","1177.83","0.14","180","2","180","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","Hydronium pentaaquacopper(II) triperchlorate","","- Cl3 Cu H13 O18 -","- Cl3 Cu H10 O18 -","- Cl9 Cu3 H30 O54 -","3","0.5","BR6106","Bramsen, Fabienne; Bond, Andrew D.; McKenzie, Christine J.","Hydronium pentaaquacopper(II) triperchlorate","Acta Crystallographica Section E","2003","59","7","i105","i106","10.1107/S1600536803014272","","","0.7107","MoKα","","0.0589","0.0451","","","0.1038","0.1114","","","","","","1.039","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205391","11.0122","0.0007","11.0122","0.0007","18.8285","0.0014","90","","90","","120","","1977.4","0.2","295","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","2,2'-Diamino-4,4'-bi-1,3-thiazolium (2R,3R)-tartrate","","- C10 H12 N4 O6 S2 -","- C10 H12 N4 O6 S2 -","- C60 H72 N24 O36 S12 -","6","1","WW6361","Liu, Bing-Xin; Xu, Duan-Jun","2,2'-Diamino-4,4'-bi-1,3-thiazolium (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2005","61","3","o753","o755","10.1107/S1600536805005313","","","0.71073","MoKα","","0.032","0.03","","","0.075","0.076","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209268","15.8969","0.0009","15.8969","","12.1289","0.0009","90","","90","","120","","2654.5","0.2","299","2","299","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","Aquabis[N-(5,7-dibromoquinolin-8-yl)-4-methylbenzenesulfonamidato- κ^2^N,N']zinc(II)","","- C32 H24 Br4 N4 O5 S2 Zn -","- C32 H24 Br4 N4 O5 S2 Zn -","- C96 H72 Br12 N12 O15 S6 Zn3 -","3","0.5","NG2038","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Aquabis[<i>N</i>-(5,7-dibromoquinolin-8-yl)-4-methylbenzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section E","2006","62","6","m1258","m1259","10.1107/S1600536806016254","","","0.71073","MoKα","","0.0616","0.0469","","","0.115","0.1226","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2211922","12.406","0.003","12.406","0.003","12.211","0.007","90","","90","","120","","1627.6","1.1","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","bis[bis(triazol-1-yl)acetato]nickel(II) monohydrate","","- C12 H12 N12 Ni O5 -","- C12 H10 N12 Ni O5 -","- C36 H30 N36 Ni3 O15 -","3","0.5","RN2016","Yun Ling; Hong-Yan Gao; Lei Zhang","[Bis(triazol-1-yl)acetato]nickel(II) monohydrate","Acta Crystallographica Section E","2007","63","1","m193","m195","10.1107/S1600536806052858","","","0.71073","MoKα","","0.0532","0.0499","","","0.1568","0.16","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213623","12.969","0.007","12.969","0.007","20.7","0.02","90","","90","","120","","3015","4","298","2","298","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","1,3,5-Tris(5-iodothiophen-2-yl)benzene","","- C18 H9 I3 S3 -","- C18 H9 I3 S3 -","- C108 H54 I18 S18 -","6","1","XU2243","Zhu, Chen-Hao; Li, Wei-Jie; Kong, Lin","1,3,5-Tris(5-iodothiophen-2-yl)benzene","Acta Crystallographica Section E","2007","63","5","o2761","o2761","10.1107/S1600536807020004","","","0.71073","MoKα","","0.076","0.054","","","0.119","0.129","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217706","10.0253","0.0006","10.0253","0.0006","28.628","0.003","90","","90","","120","","2491.8","0.3","103","2","103","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","β-Arteether","","- C17 H28 O5 -","- C17 H28 O5 -","- C102 H168 O30 -","6","1","AT2510","Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.","A second polymorph of β-arteether","Acta Crystallographica Section E","2008","64","3","o585","o586","10.1107/S1600536807062812","","","0.71073","MoKα","","0.0461","0.0401","","","0.0972","0.1005","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219249","9.306","0.001","9.306","0.001","30.069","0.008","90","","90","","120","","2255.2","0.7","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","<i>cis</i>-Bis[2-(diphenylphosphino)benzenethiolato- κ^2^<i>P</i>,<i>S</i>]palladium(II)","","- C36 H28 P2 Pd S2 -","- C36 H28 P2 Pd S2 -","- C108 H84 P6 Pd3 S6 -","3","0.5","BT2741","Fierro-Arias, Jaime; Morales-Morales, David; Hernández-Ortega, Simón","<i>cis</i>-Bis[2-(diphenylphosphino)benzenethiolato-κ^2^<i>P</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section E","2008","64","9","m1196","","10.1107/S1600536808026718","","","0.71073","MoKα","","0.073","0.0458","","","0.0776","0.0836","","","","","","0.816","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2222535","9.0951","0.0007","9.0951","0.0007","14.4544","0.0012","90","","90","","120","","1035.49","0.14","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","Dibromidotris(dimethylamine)magnesium(II)","","- C6 H21 Br2 Mg N3 -","- C6 H21 Br2 Mg N3 -","- C18 H63 Br6 Mg3 N9 -","3","0.5","AT2830","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","Dibromidotris(dimethylamine)magnesium(II)","Acta Crystallographica Section E","2009","65","8","m888","","10.1107/S1600536809024702","","","0.71073","MoKα","","0.0236","0.0217","","","0.0481","0.0487","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2236145","9.2241","0.0001","9.2241","0.0001","23.7787","0.0005","90","","90","","120","","1752.13","0.05","120","0.5","120","0.5","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione","","- C24 H26 O2 Si2 -","- C24 H26 O2 Si2 -","- C72 H78 O6 Si6 -","3","0.5","BX2422","Sparrow, Christopher R.; Fronczek, Frank R.; Watkins, Steven F.","1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione","Acta Crystallographica Section E","2012","68","9","o2809","","10.1107/S160053681203663X","","","0.71073","MoKα","","","0.0433","","","","0.1025","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240843","8.77574","0.00017","8.77574","0.00017","16.9004","0.0004","90","","90","","120","","1127.18","0.04","150","2","150","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","Heptapalladium tetratin","","- Pd6.69 Sn4.31 -","- Pd6.685 Sn4.315 -","- Pd40.11 Sn25.89 -","6","1","WM5142","Klein, Wilhelm; Jin, Hanpeng; Hlukhyy, Viktor; Fässler, Thomas F.","`Pd~20~Sn~13~' revisited: crystal structure of Pd~6.69~Sn~4.31~","Acta Crystallographica Section E","2015","71","7","807","809","10.1107/S2056989015011366","","","0.71073","MoKα","","0.0443","0.0276","","","0.0714","0.0758","","","","","","1.083","","","","has coordinates,has Fobs","139437","2020-10-21","18:00:00",""
"2240849","8.0746","0.0003","8.0746","0.0003","16.7315","0.0006","90","","90","","120","","944.73","0.06","150","2","150","2","","","","","","","","2","P 32 2 1","P 32 2""","154","2-Diazo-4,5-dicyanoimidazole","2-Diazoimidazole-4,5-dicarbonitrile","","- C5 N6 -","- C5 N6 -","- C30 N36 -","6","1","CQ2016","Parrish, Damon A.; Kramer, Stephanie; Windler, G. Kenneth; Chavez, David E.; Leonard, Philip W.","Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile","Acta Crystallographica Section E","2015","71","7","o491","","10.1107/S2056989015010944","","","0.71073","MoKα","","0.0213","0.021","","","0.0574","0.0578","","","","","","1.086","","","","has coordinates,has Fobs","139443","2020-10-21","18:00:00",""
"2300366","4.983","0.0001","4.983","0.0001","5.6339","0.0002","90","","90","","120","","121.149","0.006","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- Ge0.97 O2 Si0.03 -","- Ge0.97 O2 Si0.03 -","- Ge2.91 O6 Si0.09 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0148","0.0147","","","0.038","0.038","","","","","","1.181","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300368","4.97517","0.00017","4.97517","0.00017","5.60565","0.00019","90","","90","","120","","120.163","0.007","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- Ge0.9 O2 Si0.1 -","- Ge0.9 O2 Si0.1 -","- Ge2.7 O6 Si0.3 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0143","0.013","","","0.0297","0.0299","","","","","","1.194","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300370","4.91636","0.00019","4.91636","0.00018","5.4084","0.0002","90","","90","","120","","113.211","0.007","298","2","298","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0132","0.0131","","","0.0401","0.0402","","","","","","1.253","","","","has coordinates","176809","2020-10-21","18:00:00",""
"3000027","9.5298","0.0002","9.5298","0.0002","7.5461","0.0005","90","","90","","120","","593.5","0.04","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- B4 Dy Fe3 O12 -","","","","","","Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura","Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4","To be published","","","","","","","","","0.51898","","","0.0246","0.0227","","","0.0573","0.0581","","","","","","1.051","","","","","288249","2023-12-12","13:17:51","2014-04-19"
"3000028","9.5337","0.0002","9.5337","0.0002","7.5516","0.0005","90","","90","","120","","594.42","0.04","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- B4 Dy Fe3 O12 -","","","","","","Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura","Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4","To be published","","","","","","","","","0.51898","","","0.0203","0.0192","","","0.0497","0.0502","","","","","","1.052","","","","","288249","2023-12-12","13:17:54","2014-04-19"
"3000029","9.5266","0.0002","9.5266","0.0002","7.5471","0.0005","90","","90","","120","","593.18","0.04","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- B4 Dy Fe3 O12 -","","","","","","Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura","Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4","To be published","","","","","","","","","0.51898","","","0.026","0.0238","","","0.0601","0.0611","","","","","","1.032","","","","","288249","2023-12-12","13:17:54","2014-04-19"
"3000031","9.528","0.0002","9.528","0.0002","7.5462","0.0005","90","","90","","120","","593.28","0.04","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- B4 Dy Fe3 O12 -","","","","","","Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura","Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4","To be published","","","","","","","","","0.51898","","","0.0258","0.0236","","","0.0605","0.0614","","","","","","1.037","","","","","288249","2023-12-12","13:17:54","2014-04-19"
"4000500","6.8816","0.0006","6.8816","0.0006","12.7702","0.0017","90","","90","","120","","523.73","0.1","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- Gd H2 Na O9 S2 -","- Gd H2 Na O9 S2 -","- Gd3 H6 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0707","0.0519","","","0.0868","0.0908","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001621","18.5561","0.0004","18.5561","0.0004","21.2628","0.0005","90","","90","","120","","6340.5","0.2","150","2","150","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C219 H171 Br6 Cl27 Cu6 N6 P12 -","3","0.5","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.1139","0.1041","","","0.2175","0.2221","","","","","","1.091","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001622","18.41","0.004","18.41","0.004","21.321","0.002","90","","90","","120","","6258","2","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C37 H29 Cl7 Cu N P2 -","- C37 H29 Cl7 Cu N P2 -","- C222 H174 Cl42 Cu6 N6 P12 -","6","1","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.2134","0.1237","","","0.2375","0.2615","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001747","6.885","","6.885","","6.87","","90","","90","","120","","282.03","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Sr (B P O5)","","- B O5 P Sr -","- B O5 P Sr -","- B3 O15 P3 Sr3 -","3","0.5","","Zhang Guochun; Du Chenxia; Pan Shilie; Chen Chuangyan; Fu Peizhen; Wu Xicheng; Li Zhihua","Growth, structure and properties of single crystals of Sr B P O5","Chemistry of Materials (1,1989-)","2003","15","","2218","2221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4003222","21.847","0.005","21.847","","6.8729","0.0021","90","","90","","120","","2840.9","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D11.14 Fe O3 -","- C7 H D11.13 Fe O3 -","- C42 H6 D66.78 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.09831","","1.55","","","","","","","has coordinates","231440","2020-10-21","18:00:00",""
"4003223","21.831","0.004","21.831","","6.8543","0.0022","90","","90","","120","","2829.1","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D3.74 Fe O3 -","- C7 H D3.74 Fe O3 -","- C42 H6 D22.44 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06852","","1.33","","","","","","","has coordinates","231441","2020-10-21","18:00:00",""
"4003224","21.813","0.005","21.813","","6.8688","0.0021","90","","90","","120","","2830.4","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D7.64 Fe O3 -","- C7 H D7.64 Fe O3 -","- C42 H6 D45.84 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05963","","1.62","","","","","","","has coordinates","231442","2020-10-21","18:00:00",""
"4003225","21.7036","0.0005","21.7036","0.0005","6.844","0.0002","90","","90","","120","","2791.93","0.12","100","","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Co2(dobpdc)(DEF)2","","","- C24 H28 Co2 N2 O8 -","- C24 H28 Co2 N2 O8 -","- C72 H84 Co6 N6 O24 -","3","0.5","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","","","0.8856","synchrotron","","0.0604","0.0537","","","0.1515","0.1558","","","","","","1.126","","","","has coordinates,has disorder","231443","2020-10-21","18:00:00",""
"4003226","21.848","0.004","21.848","","6.8136","0.0025","90","","90","","120","","2816.6","1.2","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H0.98 D2.02 Fe O3 -","- C7 H0.976 D2.024 Fe O3 -","- C42 H5.856 D12.144 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06722","","1.3","","","","","","","has coordinates","231444","2020-10-21","18:00:00",""
"4003227","21.823","0.004","21.823","","6.8695","0.0022","90","","90","","120","","2833.2","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D5.2 Fe O3 -","- C7 H D5.2 Fe O3 -","- C42 H6 D31.2 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05471","","1.33","","","","","","","has coordinates","231445","2020-10-21","18:00:00",""
"4020021","11.422","0.003","11.422","0.003","40.05","0.02","90","","90","","120","","4525","3","153","2","153","2","","","","","","","","4","P 32 2 1","P 32 2""","154","VAPOL","","","- C40.5 H27 Cl O2 -","- C40.5 H27 Cl O2 -","- C243 H162 Cl6 O12 -","6","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1009","0.0672","","","0.1208","0.1536","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020598","10.2987","0.0015","10.2987","0.0015","28.821","0.006","90","","90","","120","","2647.4","0.8","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C102 H126 N6 O30 S6 -","6","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0528","","","0.1416","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022121","34.775","0.001","34.775","0.001","31.201","0.001","90","","90","","120","","32676.3","1.7","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C156 H174 Br6 N12 O24 -","- C156 H129 Br6 N12 O24 -","- C936 H774 Br36 N72 O144 -","6","1","","Ho Yong Lee; Dohyun Moon; Myoung Soo Lah; Jong-In Hong","Triangular Assembly Through Charged Hydrogen Bonds in Polar Solvent","Journal of Organic Chemistry","2006","71","","9225","9228","10.1021/jo061543f","","","0.82657","synchrotron","","0.1174","0.0778","","","0.2136","0.2354","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023103","9.8192","0.0006","9.8192","0.0006","24.526","0.003","90","","90","","120","","2047.9","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","07009a","","","- C13 H22 O3 -","- C13 H22 O3 -","- C78 H132 O18 -","6","1","","Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse","Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin","Journal of Organic Chemistry","2007","72","","9722","9731","10.1021/jo7017922","","","0.71073","MoKα","","0.0343","0.0312","","","0.0817","0.0836","","","","","","1.083","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4026234","9.1735","0.0004","9.1735","0.0004","25.9022","0.0014","90","","90","","120","","1887.72","0.15","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C90 H84 N6 O12 S6 -","3","0.5","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0491","0.0393","","","0.0924","0.0967","","","","","","1.085","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026236","10.7373","0.0015","10.7373","0.0015","47.341","0.01","90","","90","","120","","4726.7","1.4","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C204 H216 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0841","0.0558","","","0.1275","0.1363","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027650","13.6137","0.0003","13.6137","0.0003","30.6199","0.0007","90","","90","","120","","4914.58","0.19","228","2","228","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C29 H44 N6 O7.5 -","- C29 H44 N6 O7.5 -","- C174 H264 N36 O45 -","6","1","","Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle","Total Synthesis and Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2012","77","","9859","9864","10.1021/jo301723y","","","1.54178","CuKα","","0.0488","0.0436","","","0.1126","0.1166","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028386","18.5929","0.0017","18.5929","0.0017","14.0338","0.0005","90","","90","","120","","4201.5","0.6","292","0.2","292","0.2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C21 H19 Br2 N O6 -","- C21 H19 Br2 N O6 -","- C126 H114 Br12 N6 O36 -","6","1","","Zhen-Xin Jia; Yong-Chun Luo; Xi-Na Cheng; Peng-Fei Xu; Yu-Cheng Gu","Organocatalyzed Michael-Michael Cascade Reaction: Asymmetric Synthesis of Polysubstituted Chromans","Journal of Organic Chemistry","2013","78","","6488","6494","10.1021/jo400476b","","","1.5418","CuKα","","0.0488","0.0366","","","0.1032","0.113","","","","","","0.938","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028820","17.3834","0.0003","17.3834","0.0003","48.1688","0.0014","90","","90","","120","","12605.7","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H36 N2 O3 -","- C23 H24 N2 O3 -","- C414 H432 N36 O54 -","18","3","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54178","CuKα","","0.0942","0.0755","","","0.2105","0.2257","","","","","","1.066","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4029419","14.5913","0.0009","14.5913","0.0009","24.0429","0.0016","90","","90","","120","","4433.1","0.5","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H28 Cl N3 O2 -","- C31 H28 Cl N3 O2 -","- C186 H168 Cl6 N18 O12 -","6","1","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","0.71073","MoKα","","0.1722","0.0772","","","0.1742","0.1958","","","","","","0.999","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4031635","11.062","","11.062","","9.919","","90","","90","","120","","1051.15","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Cs2 (Cr (N O3)5)","","- Cr Cs2 N5 O15 -","- Cr Cs2 N5 O15 -","- Cr3 Cs6 N15 O45 -","3","0.5","","Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I.","Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","2002","47","","1845","1852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4034127","15.7436","0.0013","15.7436","0.0013","19.151","0.003","90","","90","","120","","4110.8","0.8","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H33 Cl2 O P Pd -","- C24 H33 Cl2 O P Pd -","- C144 H198 Cl12 O6 P6 Pd6 -","6","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0438","0.0294","","","0.0602","0.0654","","","","","","1.071","","","","has coordinates","222685","2020-10-21","18:00:00",""
"4034506","13.0211","0.0004","13.0211","0.0004","25.5008","0.0007","90","","90","","120","","3744.38","0.19","180","","180","","","","101","","","","","4","P 32 2 1","P 32 2""","154","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C162 H228 O12 S6 -","3","0.5","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0457","0.0456","","0.1085","0.1084","0.1085","","","","","","0.8768","","","","has coordinates,has disorder","223011","2020-10-21","18:00:00",""
"4035112","11.3565","0.0002","11.3565","0.0002","9.147","0.0002","90","","90","","120","","1021.64","0.03","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C48 H54 O9 -","3","0.5","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0299","0.0298","","","0.0779","0.078","","","","","","1.091","","","","has coordinates","226598","2020-10-21","18:00:00",""
"4035124","11.8424","0.0003","11.8424","0.0003","23.682","0.0007","90","","90","","120","","2876.26","0.13","120","0.2","120","0.2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C68 H24 O8 -","- C68 H24 O8 -","- C204 H72 O24 -","3","0.5","","Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi","Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.","The Journal of organic chemistry","2018","83","17","10655","10659","10.1021/acs.joc.8b01485","","","1.54178","CuKα","","0.0502","0.0389","","","0.0823","0.0858","","","","","","1.064","","","","has coordinates","226610","2020-10-21","18:00:00",""
"4035282","20.0368","0.0003","20.0368","0.0003","12.7561","0.0002","90","","90","","120","","4435.12","0.12","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C168 H198 N6 O42 -","6","1","","Zhou, Ming; Zhou, Jia; Liu, Junjun; Liang, Jing-Jing; Peng, Xiao-Gang; Duan, Fang-Fang; Ruan, Han-Li","Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus.","The Journal of organic chemistry","2018","83","19","12122","12128","10.1021/acs.joc.8b02089","","","1.54178","CuKα","","0.0812","0.076","","","0.1947","0.2023","","","","","","0.976","","","","has coordinates,has disorder","226748","2020-10-21","18:00:00",""
"4036164","9.1098","0.0002","9.1098","0.0002","29.0236","0.0008","90","","90","","120","","2085.93","0.09","223","2","223","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0458","0.0438","","","0.097","0.0983","","","","","","1.046","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4062405","13.3607","0.0003","13.3607","0.0003","23.5264","0.0008","90","","90","","120","","3637.01","0.17","143","2","143","2","","","","","","","","5","P 32 2 1","P 32 2""","154","(iPr4Xan)Zr2(NMe2)6","","","- C41 H76 N10 O Zr2 -","- C41 H76 N10 O Zr2 -","- C123 H228 N30 O3 Zr6 -","3","0.5","","Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard","Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)","Organometallics","2003","22","23","4818","4824","10.1021/om034063c","","","","","","","","","","","","","","","","","","","","","has coordinates","192127","2020-10-21","18:00:00",""
"4065681","12.208","0.0009","12.208","0.0009","34.722","0.003","90","","90","","120","","4481.5","0.6","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C50 H72 I4 N8 Zn4 -","- C50 H72 I4 N8 Zn4 -","- C150 H216 I12 N24 Zn12 -","3","0.5","","Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland","Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes","Organometallics","2010","29","9","2093","","10.1021/om100065w","","","0.71073","MoKα","","0.0354","0.0346","","","0.073","0.0732","","","","","","1.291","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4069862","11.225","0.0001","11.225","0.0001","21.6967","0.0002","90","","90","","120","","2367.54","0.04","183","2","183","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C26 H52 Br N2 O P2 Re -","- C26 H52 Br N2 O P2 Re -","- C78 H156 Br3 N6 O3 P6 Re3 -","3","0.5","","Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz","Development of Rhenium Catalysts for Amine Borane Dehydrocoupling and Transfer Hydrogenation of Olefins","Organometallics","2009","28","18","5493","","10.1021/om900458e","","","0.71073","MoKα","","0.019","0.0175","","","0.0425","0.0428","","","","","","1.07","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4073277","18.011","0.0014","18.011","0.0014","12.1888","0.001","90","","90","","120","","3424.3","0.5","173.1","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C44 H50 Cl2 P2 Ru2 -","- C44 H50 Cl2 P2 Ru2 -","- C132 H150 Cl6 P6 Ru6 -","3","0.5","","Miyake, Yoshihiro; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Diphosphine-Bridged Diruthenium Complexes","Organometallics","2007","26","14","3611","","10.1021/om070216a","","","0.71069","MoKα","","","0.0311","","","","0.0953","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073797","11.9962","0.0003","11.9962","0.0003","28.3024","0.0016","90","","90","","120","","3527.3","0.2","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C54 H64 Cl2 N4 O Rh2 -","- C50 H54 Cl2 N4 Rh2 -","- C150 H162 Cl6 N12 Rh6 -","3","0.5","","Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Mono- and Bimetallic Rhodium(I) Complexes Supported by NewC2-Symmetric Bis-N-heterocyclic Carbene Ligands: Metalation via CC Bond Cleavage under Mild Conditions","Organometallics","2007","26","22","5267","","10.1021/om700630u","","","0.71073","MoKα","","0.0985","0.053","","","0.1014","0.1127","","","","","","1.007","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4078639","14.9538","0.0004","14.9538","0.0004","30.2975","0.0009","90","","90","","120","","5867.3","0.3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C84 H80 F12 O5 P6 Pd2 S2 -","- C84 H80 F12 O5 P6 Pd2 S2 -","- C252 H240 F36 O15 P18 Pd6 S6 -","3","0.5","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0359","0.0314","","","0.0743","0.0764","","","","","","1.095","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4079829","10.68954","0.00011","10.68954","0.00011","23.2454","0.0003","90","","90","","120","","2300.31","0.04","180","2","180","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C20 H12 F2 O2 -","- C20 H12 F2 O2 -","- C120 H72 F12 O12 -","6","1","","Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme","Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes","Organometallics","2013","32","2","473","","10.1021/om300935u","","","1.54184","CuKα","","0.0315","0.0308","","","0.0907","0.0922","","","","","","1.24","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4081364","11.60504","0.00008","11.60504","0.00008","24.7296","0.0002","90","","90","","120","","2884.3","0.04","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C14 H22 F3 N3 O4 Pd S -","- C14 H22 F3 N3 O4 Pd S -","- C84 H132 F18 N18 O24 Pd6 S6 -","6","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","1.54184","CuKα","","0.0145","0.0144","","","0.0373","0.0374","","","","","","1.052","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081506","14.211","0.0007","14.211","0.0007","31.1139","0.0016","90","","90","","120","","5441.7","0.5","100","2","100","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C68 H62 F6 Fe N6 O18 Pd2 S4 -","- C68 H62 F6 Fe N6 O18 Pd2 S4 -","- C204 H186 F18 Fe3 N18 O54 Pd6 S12 -","3","0.5","","Weber, Manuel; Klein, Johannes E. M. N.; Miehlich, Burkhard; Frey, Wolfgang; Peters, René","Monomeric Ferrocene Bis-Imidazoline Bis-Palladacycles: Variation of Pd‒Pd Distances by an Interplay of Metallophilic, Dispersive, and Coulombic Interactions","Organometallics","2013","32","20","5810","","10.1021/om400360d","","","0.71073","MoKα","","0.099","0.0782","","","0.1722","0.1836","","","","","","1.043","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4085003","20.139","0.002","20.139","0.002","13.7756","0.0013","90","","90","","120","","4838.6","0.8","90","","90","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C52 H72 Cl4 N2 O2 P2 Pd2 -","- C52 H72 Cl4 N2 O2 P2 Pd2 -","- C156 H216 Cl12 N6 O6 P6 Pd6 -","3","0.5","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","x-ray","0.71073","MoKα","","0.0371","0.0291","","","0.0615","0.0652","","","","","","1.051","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4101246","65.68","0.07","65.68","0.07","79.46","0.08","90","","90","","120","","296844","515","98","2","98","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C846 H1919 N262 O491 S8.83 -","- C849.41 H1342.9 N261.7 O648.31 S12.94 -","- C5096.46 H8057.4 N1570.2 O3889.86 S77.64 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.785","","","0.0817","0.0728","","","0.1999","0.2056","","","","","","1.691","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101247","65.77","0.07","65.77","0.07","79.55","0.08","90","","90","","120","","298004","518","98","2","98","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C846 H2027 B N262 O581 S9.5 -","- C866.99 H1367.07 N265.96 O639.78 S11.32 -","- C5201.94 H8202.42 N1595.76 O3838.68 S67.92 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.75","","","0.0819","0.0733","","","0.2061","0.2203","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101427","36.405","0.005","36.405","0.005","49.917","0.01","90","","90","","120","","57294","16","150","2","150","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C319.5 H235 Au10 Cl15 F30 N12 O20 P10 -","- C292 H220 Au10 N12 P10 -","- C1752 H1320 Au60 N72 P60 -","6","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.1032","0.0808","","","0.2112","0.2271","","","","","","0.995","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101631","18.286","0.003","18.286","0.003","49.079","0.01","90","","90","","120","","14212","4","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C62 H135 Fe0.5 Mo9 N5.5 O30 -","- C62 H135 Fe0.5 Mo9 N5.5 O30 -","- C372 H810 Fe3 Mo54 N33 O180 -","6","1","","Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng","Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.","Journal of the American Chemical Society","2010","132","1","14","15","10.1021/ja907535g","","","0.71073","MoKα","","0.0761","0.0644","","","0.1602","0.1689","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104427","15.787","0.002","15.787","0.002","30.811","0.004","90","","90","","120","","6650.2","1.5","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C30 H51 Au2 Cl12 P2 -","- C30 H51 Au2 Cl12 P2 -","- C180 H306 Au12 Cl72 P12 -","6","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0471","0.0406","","","0.1026","0.108","","","","","","1.079","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4105991","12.7622","0.0004","12.7622","0.0004","33.2409","0.001","90","","90","","120","","4688.7","0.3","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H25 B N O P -","- C14 H25 B N O P -","- C168 H300 B12 N12 O12 P12 -","12","2","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1077","0.114","","","","","","1.041","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106631","17.0548","0.0014","17.0548","0.0014","12.2849","0.0012","90","","90","","120","","3094.5","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C47 H68 O2 Th -","- C47 H68 O2 Th -","- C141 H204 O6 Th3 -","3","0.5","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0347","0.0323","","","0.0522","0.0529","","","","","","0.978","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106838","11.9335","0.0003","11.9335","0.0003","36.635","0.0009","90","","90","","120","","4518.2","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C32 H34 N2 O7 S -","- C32 H34 N2 O7 S -","- C192 H204 N12 O42 S6 -","6","1","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.0418","0.0388","","","0.1024","0.1044","","","","","","1.037","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4108891","12.9913","0.0003","12.9913","0.0003","17.3911","0.0011","90","","90","","120","","2541.93","0.18","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H44 In N O10 -","- C24 H40 In N O10 -","- C72 H120 In3 N3 O30 -","3","0.5","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0974","0.0688","","","0.1985","0.2157","","","","","","1.073","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108918","14.982","0.004","14.982","0.004","38.92","0.02","90","","90","","120","","7566","5","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C42.75 H70.13 Lu N13.88 O12.75 -","- C42.75 H60 Lu N13.875 O12.75 -","- C256.5 H360 Lu6 N83.25 O76.5 -","6","1","","Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski","Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle","Journal of the American Chemical Society","2008","130","","17761","17773","10.1021/ja805033j","","","0.71073","MoKα","","0.0647","0.0413","","","0.0715","0.0748","","","","","","0.991","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4109408","24.8535","0.0012","24.8535","0.0012","20.228","0.002","90","","90","","120","","10820.8","1.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C108 H96 Cr2 Fe3 N24 -","- C108 H96 Cr2 Fe3 N24 -","- C324 H288 Cr6 Fe9 N72 -","3","0.5","","Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar","Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters","Journal of the American Chemical Society","2007","129","","6104","6116","10.1021/ja066273x","","","0.71073","MoKα","","0.1049","0.0818","","","0.2061","0.2199","","","","","","0.99","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109771","14.1676","0.0009","14.1676","0.0009","10.8602","0.0013","90","","90","","120","","1887.8","0.3","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C30 H36 O6 -","- C30 H36 O6 -","- C90 H108 O18 -","3","0.5","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.0572","0.0313","","","0.06","0.0679","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111325","7.8384","0.0004","7.8384","0.0004","27.668","0.003","90","","90","","120","","1472.19","0.19","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H20 Cl2 O Zr2 -","- C20 H20 Cl2 O Zr2 -","- C60 H60 Cl6 O3 Zr6 -","3","0.5","","Jared T. Spletstoser; Jonathan M. White; Ashok Rao Tunoori; Gunda I. Georg","Mild and Selective Hydrozirconation of Amides to Aldehydes Using Cp2Zr(H)Cl: Scope and Mechanistic Insight","Journal of the American Chemical Society","2007","129","","3408","3419","10.1021/ja066362+","","","0.71073","MoKα","","0.0289","0.0281","","","0.0704","0.0709","","","","","","1.078","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111616","18.4724","0.0012","18.4724","0.0012","21.479","0.003","90","","90","","120","","6347.3","1.1","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C99 H114 N8 O15 P2 -","- C78 H72 N8 O8 P2 -","- C234 H216 N24 O24 P6 -","3","0.5","","Thomas P. Clark; Clark R. Landis; Susan L. Freed; Jerzy Klosin; Khalil A. Abboud","Highly Active, Regioselective, and Enantioselective Hydroformylation with Rh Catalysts Ligated by Bis-3,4-diazaphospholanes","Journal of the American Chemical Society","2005","127","","5040","5042","10.1021/ja050148o","","","0.71073","MoKα","","0.1472","0.0754","","","0.18","0.1989","","","","","","0.871","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111892","19.172","0.003","19.172","0.003","45.758","0.009","90","","90","","120","","14566","4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","MOL-3CdS","","","- C158 H138 Cd17 N4 S32 -","- C158 Cd17 N4 S32 -","- C474 Cd51 N12 S96 -","3","0.5","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1358","0.0931","","","0.2766","0.2982","","","","","","1.013","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4112136","17.7079","0.0002","17.7079","0.0002","15.0264","0.0002","90","","90","","120","","4080.56","0.08","297","2","297","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C53.33 H55.33 Cl4 Cu2 Fe2 P2 S2 -","- C53.32 H55.32 Cl4 Cu2 Fe2 P2 S2 -","- C159.96 H165.96 Cl12 Cu6 Fe6 P6 S6 -","3","0.5","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0374","0.036","","","0.0911","0.0921","","","","","","1.072","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112613","8.724","0.0003","8.724","0.0003","33.476","0.002","90","","90","","120","","2206.46","0.17","173.2","","","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H42 Cl2 Co N4 O14 -","- C16 H42 Cl2 Co N4 O14 -","- C48 H126 Cl6 Co3 N12 O42 -","3","0.5","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0451","","","","0.1399","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113253","19.4347","0.0003","19.4347","0.0003","30.1815","0.0005","90","","90","","120","","9872.5","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C53 H56 B2 N2 O9 -","- C53 H56 B2 N2 O9 -","- C318 H336 B12 N12 O54 -","6","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.7107","MoKα","","0.0843","0.069","","","0.1822","0.1927","","","","","","1.025","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4114550","15.0005","0.0001","15.0005","0.0001","21.8165","0.0002","90","","90","","120","","4251.35","0.06","160","1","160","1","","","","","","","","4","P 32 2 1","P 32 2""","154","","(3S,4R)-1-(3-aza-4-carboxy-4-methyl-2-oxopentyl)-3-benzyl-3- tert-butoxicarbonylamino-4-isobutylazetidin-2-one","","- C25 H37 N3 O6 -","- C25 H37 N3 O6 -","- C150 H222 N18 O36 -","6","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.0512","0.0368","","","0.0865","0.0939","","","","","","1.049","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4115591","15.2671","0.0002","15.2671","0.0001","48.4117","0.0006","90","0.0007","90","0.0004","120","0.0005","9772.24","0.19","158","2","158","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C45 H66.5 Cu5 La N12.5 O26 -","- C45 H50 Cu5 La N12.5 O28.75 -","- C270 H300 Cu30 La6 N75 O172.5 -","6","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.0559","0.0541","","","0.1228","0.1239","","","","","","1.215","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117002","17.493","0.002","17.493","0.002","26.676","0.004","90","","90","","120","","7069.4","1.6","298","2","298","2","","","","","","","see text","5","P 32 2 1","P 32 2""","154","","1,3-Bis[4-(4-bromophenyl)-2,3,5,6,7,8-hexaphenyl-1-naphthyl]benzene . 2Dichloromethane . 4Methanol Solvate","","- C116 H92 Br2 Cl4 O4 -","- C110 H72 Br2 -","- C330 H216 Br6 -","3","0.5","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","0.71073","MoKα","","0.1764","0.0554","","0.1155","0.092","","","","0.609","1.011","1.011","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117850","21.698","0.003","21.698","0.003","6.869","0.0014","90","","90","","120","","2800.7","0.8","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H14 N O4 Zn -","- C12 H14 N O4 Zn -","- C72 H84 N6 O24 Zn6 -","6","1","","Thomas M. McDonald; Woo Ram Lee; Jarad A. Mason; Brian M. Wiers; Chang Seop Hong; Jeffrey R. Long","Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)","Journal of the American Chemical Society","2012","134","","7056","7065","10.1021/ja300034j","","","0.85","synchrotron","","0.0501","0.0466","","","0.1204","0.1223","","","","","","1.073","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4118361","10.583","0.007","10.583","0.007","39.571","0.006","90","","90","","120","","3838","4","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","((2R,3R,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido- 1,2-oxaphosphinan-6yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C144 H174 O54 P6 -","6","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.101","0.0838","","","0.2151","0.2348","","","","","","1.085","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4119731","9.4244","0.0002","9.4244","0.0002","22.8217","0.0005","90","","90","","120","","1755.44","0.07","110","2","110","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C9 H18 O6 -","- C9 H18 O6 -","- C54 H108 O36 -","6","1","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","0.71073","MoKα","","0.0313","0.0292","","","0.078","0.0798","","","","","","1.054","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4121097","22.8761","0.0001","22.8761","0.0001","14.2626","0.0001","90","","90","","120","","6463.88","0.06","150","","150","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C38 H34 F6 N3 O3 P S -","- C38 H34 F6 N3 O3 P S -","- C228 H204 F36 N18 O18 P6 S6 -","6","1","","Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon","Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction","Journal of the American Chemical Society","2013","135","","16348","16351","10.1021/ja409121s","","","0.71073","MoKα","","0.0463","0.042","","0.106","0.102","0.106","","","","","","0.9059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122255","14.1554","0.0014","14.1554","0.0014","9.807","0.001","90","","90","","120","","1701.8","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H23 Fe N9 O4 -","- C20 H23 Fe N9 O4 -","- C60 H69 Fe3 N27 O12 -","3","0.5","","Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.","NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.","Journal of the American Chemical Society","2014","136","29","10230","10233","10.1021/ja505236x","","","0.71073","MoKα","","0.0494","0.0428","","","0.1079","0.1126","","","","","","1.056","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4125484","25.4957","0.0012","25.4957","0.0012","6.2727","0.0003","90","","90","","120","","3531.2","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C55 H60 O5 -","- C46 H40 O4 -","- C138 H120 O12 -","3","0.5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0728","0.0633","","","0.1558","0.1605","","","","","","1.003","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4126285","21.2594","0.0011","21.2594","0.0011","6.7655","0.0004","90","","90","","120","","2648.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(m-2-CO2)1.62","","","- C20.48 H22.2 N3.24 O9.24 Zn2 -","- C20.48 H22.2 N3.24 O9.24 Zn2 -","- C61.44 H66.6 N9.72 O27.72 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.057","0.0513","","","0.126","0.1283","","","","","","1.14","","","","has coordinates,has disorder","198806","2020-10-21","18:00:00",""
"4126286","21.6857","0.0008","21.6857","0.0008","6.8891","0.0003","90","","90","","120","","2805.69","0.19","195","","195","","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(e-2-e-CO2)(e-2-e)","","","- C27 H38 N4 O8 Zn2 -","- C21 H22 N2 O9 Zn2 -","- C63 H66 N6 O27 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.068","0.0645","","","0.161","0.1628","","","","","","1.232","","","","has coordinates,has disorder","198807","2020-10-21","18:00:00",""
"4126288","21.662","0.0006","21.662","0.0006","6.8262","0.0002","90","","90","","120","","2774","0.14","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(ee-2)1.65","","","- C23.89 H33.97 N3.3 O6.8 Zn2 -","- C23.864 H35.04 N3.644 O6.78 Zn2 -","- C71.592 H105.12 N10.932 O20.34 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.8856","synchrotron","","0.0509","0.0398","","","0.0902","0.0944","","","","","","1.053","","","","has coordinates,has disorder","198809","2020-10-21","18:00:00",""
"4126401","21.653","0.0011","21.653","0.0011","6.7873","0.0004","90","","90","","120","","2755.9","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(dmpn)0.65(dmpn-CO2)0.774","","","- C21.89 H25.94 N2.85 O7.55 Zn2 -","- C21.894 H26.316 N3.424 O7.548 Zn2 -","- C65.682 H78.948 N10.272 O22.644 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.6888","synchrotron","","0.0652","0.0585","","","0.1332","0.1358","","","","","","1.205","","","","has coordinates,has disorder","200893","2020-10-21","18:00:00",""
"4126641","20.6012","0.0007","20.6012","0.0007","6.8939","0.0003","90","","90","","120","","2533.85","0.16","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(dach-CO2)2","","","- C28 H34 N4 O10 Zn2 -","- C28 H34 N4 O10 Zn2 -","- C84 H102 N12 O30 Zn6 -","3","0.5","","Martell, Jeffrey D.; Porter-Zasada, Leo B; Forse, Alexander C.; Siegelman, Rebecca L.; Gonzalez, Miguel I.; Oktawiec, Julia; Runcevski, Tomce; Xu, Jiawei; Srebro-Hooper, Monika; Milner, Phillip J.; Colwell, Kristen A.; Autschbach, Jochen; Reimer, Jeffrey A.; Long, Jeffrey R.","Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09983","","","0.8856","synchrotron","","0.0617","0.0566","","","0.1377","0.1401","","","","","","1.182","","","","has coordinates,has disorder","202303","2020-10-21","18:00:00",""
"4128179","14.9367","0.0007","14.9367","0.0007","27.3869","0.0017","90","","90","","120","","5291.5","0.5","123","","123","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H32 Cl F5 N2 O2 Ru S -","- C32 H32 Cl F5 N2 O2 Ru S -","- C192 H192 Cl6 F30 N12 O12 Ru6 S6 -","6","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0387","0.0369","","","0.076","0.0767","","","","","","1.074","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128303","9.883","0.0004","9.883","0.0004","36.809","0.002","90","","90","","120","","3113.6","0.2","123","","123","","","","","","","","Pierre Thesmar","4","P 32 2 1","P 32 2""","154","","","","- C22 H27 N2 O8.5 -","- C22 H27 N2 O8.5 -","- C132 H162 N12 O51 -","6","1","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0335","0.0327","","0.0854","0.0845","0.0842","","","","","","0.9809","","","","has coordinates","221426","2020-10-21","18:00:00",""
"4128517","11.2006","0.0001","11.2006","0.0001","25.1011","0.0004","90","","90","","120","","2727.13","0.06","296","2","296.15","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C120 H180 O24 -","6","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.05","0.0413","","","0.1221","0.133","","","","","","1.0239","","","","has coordinates","221599","2020-10-21","18:00:00",""
"4128684","45.122","0.006","45.122","0.006","49.238","0.01","90","","90","","120","","86818","2","173","2","173","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C182.67 H102 O60 P3 Zr9 -","- C183 H102 O60 P3 Zr9 -","- C1098 H612 O360 P18 Zr54 -","6","1","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","0.71073","MoKα","","0.1213","0.0872","","","0.2634","0.2897","","","","","","0.964","","","","has coordinates","221765","2020-10-21","18:00:00",""
"4129075","11.8237","0.0003","11.8237","0.0003","19.047","0.0005","90","","90","","120","","2306.03","0.1","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Title","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C108 H90 N6 O30 -","6","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129431","10.7904","0.0002","10.7904","0.0002","26.1124","0.0005","90","","90","","120","","2633.01","0.09","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C126 H168 O12 -","6","1","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0268","0.0261","","","0.0679","0.0684","","","","","","1.044","","","","has coordinates","240146","2020-10-21","18:00:00",""
"4131080","12.3403","0.0017","12.3403","0.0017","31.681","0.004","90","","90","","120","","4178.1","1","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C26 H26 F9 N3 O S -","- C26 H26 F9 N3 O S -","- C156 H156 F54 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0524","0.046","","","0.114","0.1196","","","","","","1.026","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131081","12.8221","0.0003","12.8221","0.0003","26.6228","0.0008","90","","90","","120","","3790.55","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C25 H25 F8 N3 O S -","- C25 H25 F8 N3 O S -","- C150 H150 F48 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0335","0.0298","","","0.0738","0.0763","","","","","","1.039","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131083","12.1213","0.0003","12.1213","0.0003","27.5249","0.0007","90","","90","","120","","3502.31","0.15","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C23 H27 Cl2 N3 O S -","- C23 H27 Cl2 N3 O S -","- C138 H162 Cl12 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.027","0.0249","","","0.0602","0.0614","","","","","","1.031","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131093","14.3464","0.0002","14.3464","0.0002","28.5097","0.0004","90","","90","","120","","5081.7","0.12","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C64 H70 Cl F14 N7 O6 S2 -","- C64 H70 Cl F14 N7 O6 S2 -","- C192 H210 Cl3 F42 N21 O18 S6 -","3","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0331","0.0311","","","0.079","0.0806","","","","","","1.062","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131507","9.6444","0.0014","9.6444","0.0014","23.254","0.005","90","","90","","120","","1873.2","0.6","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N2 Rb -","- C6 H14 Br3 N2 Rb -","- C36 H84 Br18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.104","0.0652","","","0.1127","0.1241","","","","","","1.11","","","","has coordinates","241698","2020-10-21","18:00:00",""
"4135314","11.4685","0.0002","11.4685","0.0002","42.486","0.001","90","","90","","120","","4839.38","0.16","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C216 H168 Br12 N12 O36 -","12","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0776","0.0425","","","0.0645","0.0757","","","","","","0.913","","","","has coordinates","258629","2020-10-29","23:46:31",""
"4306693","10.088","0.001","10.088","0.001","19.817","0.006","90","","90","","120","","1746.5","0.6","293","2","293","","","","","","","","","5","P 32 2 1","P 32 2""","154","","μ-(Pyridyl-1,2)-μ-Hydrido-bis(pyridino-tricarbonyltechnetium)","","- C21 H15 N3 O6 Tc2 -","- C21 H15 N3 O6 Tc2 -","- C63 H45 N9 O18 Tc6 -","3","0.5","","Maaz Zuhayra; Ulf Lützen; Arne Lützen; Laszlo Papp; Eberhard Henze; Gernot Friedrichs; Franz Oberdorfer","C-H Bond Activation of Coordinated Pyridine: Ortho-Pyridyl-Ditechnetiumhydridocarbonyl Metal Cyclus. Crystal Structure and Dynamic Behavior in Solution","Inorganic Chemistry","2008","47","","10177","10182","10.1021/ic8015063","","","0.71073","MoKα","","0.0323","0.0259","","0.0729","0.0663","","","","1.051","1.068","1.068","","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4311178","12.442","0.0004","12.442","0.0004","17.6269","0.0013","90","","90","","120","","2363.1","0.2","150","0.2","150","0.2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C26.5 H25 Ag Cl F6 N8 P -","- C26.5 H25 Ag Cl F6 N8 P -","- C79.5 H75 Ag3 Cl3 F18 N24 P3 -","3","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith","Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes","Inorganic Chemistry","2004","43","","3825","3832","10.1021/ic0497174","","","0.71073","MoKα","","0.0291","0.0281","","","0.0687","0.0692","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311717","11.6939","0.0004","11.6939","0.0004","33.013","0.002","90","","90","","120","","3909.6","0.3","120","2","120","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C53.5 H43 Cl2 N7 Ni O10.5 -","- C55 H47 Cl2 N8 Ni O13 -","- C165 H141 Cl6 N24 Ni3 O39 -","3","0.5","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0855","0.0734","","","0.2043","0.213","","","","","","1.036","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4314741","16.0231","0.0002","16.0231","0.0002","18.52","0.0003","90","","90","","120","","4117.79","0.1","90","2","90","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C18 H29 Cl0.5 Co Cr0.5 N6 O8 -","- C18 H14.4 Cl0.5 Co Cr0.5 N6 O8 -","- C108 H86.4 Cl3 Co6 Cr3 N36 O48 -","6","1","","Yuan-Zhu Zhang; Osamu Sato","A Cyano-Bridged CrIIICoII Ferromagnet with a Chiral Nanotubular Structure Constituted of Interlocked Single and Double Helices","Inorganic Chemistry","2010","49","","1271","1273","10.1021/ic900224b","","","0.71073","MoKα","","0.0859","0.0767","","","0.2142","0.2214","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4318532","7.4328","0.0007","7.4328","0.0007","16.376","0.002","90","","90","","120","","783.51","0.14","153","2","153","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C4 H8 Cd F4 Mo N2 O4 -","- C3 H6 Cd0.75 F3 Mo0.75 N1.5 O3 -","- C12 H24 Cd3 F12 Mo3 N6 O12 -","4","0.666667","","Paul A. Maggard; Amy L. Kopf; Charlotte L. Stern; Kenneth R. Poeppelmeier; Kang Min Ok; P. Shiv Halasyamani","From Linear Inorganic Chains to Helices: Chirality in the M(pyz)(H2O)2MoO2F4 (M = Zn, Cd) Compounds","Inorganic Chemistry","2002","41","","4852","4858","10.1021/ic0255712","","","0.71073","MoKα","","0.0214","0.0214","","","0.0568","0.0568","","","","","","0.542","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324925","19.0992","0.0012","19.0992","0.0012","17.8228","0.0012","90","","90","","120","","5630.4","0.6","123","2","123","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C126 H270 Cl6 N30 Ni6 O36 S6 -","3","0.5","","Huan-Yong Li; Long Jiang; Hua Xiang; Trevor A. Makal; Hong-Cai Zhou; Tong-Bu Lu","Construction of Two 3D Homochiral Frameworks with 1D Chiral Pores via Chiral Recognition","Inorganic Chemistry","2011","50","","3177","3179","10.1021/ic200264s","","","1.54178","CuKα","","0.1257","0.0901","","","0.2229","0.2416","","","","","","0.972","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325898","15.2671","0.0002","15.2671","0.0001","48.4117","0.0006","90","0.0007","90","0.0004","120","0.0005","9772.24","0.19","158","2","158","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C90 H100 Cu10 La2 N25 O57.5 -","- C90 H100 Cu10 La2 N25 O57.5 -","- C270 H300 Cu30 La6 N75 O172.5 -","3","0.5","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0559","0.0541","","","0.1228","0.1239","","","","","","1.215","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4331491","11.9961","0.0019","11.9961","0.0019","16.062","0.005","90","","90","","120","","2001.8","0.8","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H20 Co Fe N14 O3 -","- C19 H16 Co Fe N14 O3 -","- C57 H48 Co3 Fe3 N42 O9 -","3","0.5","","Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","12","4263","4269","10.1021/ic050099g","","","0.71073","MoKα","","0.036","0.0298","","","0.0756","0.0797","","","","","","1.093","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4332750","7.575","0.0004","7.575","0.0004","12.9268","0.0011","90","","90","","120","","642.37","0.07","295","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B H2 Mn O6 P -","- B H2 Mn O6 P -","- B6 H12 Mn6 O36 P6 -","6","1","","Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger","Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co)","Inorganic Chemistry","2006","45","19","7578","7580","10.1021/ic0607991","","","0.71073","MoKα","","0.03","0.026","","","0.054","0.056","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332751","7.4844","0.0004","7.4844","0.0004","12.8436","0.0011","90","","90","","120","","623.06","0.07","293","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B Fe H2 O6 P -","- B Fe H2 O6 P -","- B6 Fe6 H12 O36 P6 -","6","1","","Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger","Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co)","Inorganic Chemistry","2006","45","19","7578","7580","10.1021/ic0607991","","","0.71073","MoKα","","0.032","0.028","","","0.059","0.064","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333255","9.6116","0.0001","9.6116","0.0001","25.2776","0.0006","90","","90","","120","","2022.36","0.06","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C22 H18 Cl4 N10 O Zn2 -","- C22 H18 Cl4 N10 O Zn2 -","- C66 H54 Cl12 N30 O3 Zn6 -","3","0.5","","Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man","Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation","Inorganic Chemistry","2007","46","14","5691","5699","10.1021/ic700428e","","x-ray","0.71073","MoKα","","0.0307","0.0267","","","0.0703","0.0714","","","","","","1.007","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333257","9.724","0.0005","9.724","0.0005","25.71","0.003","90","","90","","120","","2105.3","0.3","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C11 H9 Br2 N5 O0.25 Zn -","- C11 H9 Br2 N5 O0.25 Zn -","- C66 H54 Br12 N30 O1.5 Zn6 -","6","1","","Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man","Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation","Inorganic Chemistry","2007","46","14","5691","5699","10.1021/ic700428e","","x-ray","0.71073","MoKα","","0.0214","0.0197","","","0.0471","0.0475","","","","","","1.051","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4334456","12.8116","0.0018","12.8116","0.0018","30.035","0.006","90","","90","","120","","4269.4","1.2","295","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C57 H66 N8 Ni2 O16 -","- C57 H60 N8 Ni2 O16 -","- C171 H180 N24 Ni6 O48 -","3","0.5","","Agnieszka Wojciechowska; Anna Gągor; Marek Duczmal; Zbigniew Staszak; Andrzej Ozarowski","l-Tyrosinatonickel(II) Complex: Synthesis and Structural, Spectroscopic, Magnetic, and Biological Properties of 2{[Ni(l-Tyr)2(bpy)]}.3H2O.CH3OH","Inorganic Chemistry","2013","52","","4360","4371","10.1021/ic3024919","","","0.71073","MoKα","","0.09","0.0476","","","0.079","0.0924","","","","","","1.082","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4336092","9.969","0.003","9.969","0.003","16.595","0.006","90","","90","","120","","1428.3","0.8","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H13 I N2 S2 Si -","- C16 H13 I N2 S2 Si -","- C48 H39 I3 N6 S6 Si3 -","3","0.5","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0396","0.0333","","","0.0847","0.0886","","","","","","1.114","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4337167","11.5087","0.0002","11.5087","0.0002","28.5959","0.0013","90","","90","","120","","3280.1","0.17","193","2","193","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C12 H40 B4 Ca N2 O2 -","- C12 H40 B4 Ca N2 O2 -","- C72 H240 B24 Ca6 N12 O12 -","6","1","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.0348","0.0291","","","0.0771","0.0797","","","","","","1.025","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337773","11.447","0.005","11.447","0.005","24.454","0.005","90","","90","","120","","2775","1.8","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C38 H32 Co Cu2 N10 O4 -","- C38 H32 Co Cu2 N10 O4 -","- C114 H96 Co3 Cu6 N30 O12 -","3","0.5","","Biswas, Saptarshi; Gómez-García, Carlos J; Clemente-Juan, Juan M; Benmansour, Samia; Ghosh, Ashutosh","Supramolecular 2D/3D Isomerism in a Compound Containing Heterometallic Cu(II)2Co(II) Nodes and Dicyanamide Bridges.","Inorganic chemistry","2014","53","5","2441","2449","10.1021/ic4023536","","","0.71073","MoKα","","0.0614","0.0446","","","0.1026","0.1117","","","","","","1.035","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4340109","7.0282","0.0003","7.0282","0.0003","12.9377","0.0006","90","","90","","120","","553.45","0.04","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Sodium Uranium(III) sulfate","","","- H2 Na O9 S2 U -","- H2 Na O9 S2 U -","- H6 Na3 O27 S6 U3 -","3","0.5","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.014","0.0138","","","0.0326","0.0326","","","","","","1.1","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340199","18.9201","0.0013","18.9201","0.0013","12.5108","0.0012","90","","90","","120","","3878.5","0.5","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- Ga H18.6 K2 Na3 O49.3 W12 -","- Ga K2 Na3 O49.3 W12 -","- Ga3 K6 Na9 O147.9 W36 -","3","0.5","","Sundaram, Karthik M.; Neiwert, Wade A.; Hill, Craig L.; Weinstock, Ira A.","Relative energies of alpha and beta isomers of Keggin dodecatungstogallate.","Inorganic chemistry","2006","45","3","958","960","10.1021/ic051789n","","","0.71073","MoKα","","0.0434","0.038","","","0.0917","0.0931","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343640","13.04","","13.04","","8.4","","90","","90","","120","","1236.99","","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","(N H4)3 Tc2 Cl8 (H2 O)2","","- Cl8 H16 N3 O2 Tc2 -","- Cl8 H16 N3 O2 Tc2 -","- Cl24 H48 N9 O6 Tc6 -","3","0.5","","Bratton, W. K.; Cotton, F. A.","Characterization of the trinegative octachloroditechnetate ion","Inorganic Chemistry","1970","9","","789","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4344085","29.0902","0.0005","29.0902","0.0005","14.1738","0.0003","90","","90","","120","","10387.5","0.3","173","2","173","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C114 H88 F18 N6 O6 P9 Re3 -","- C114 H90 F18 N6 O6 P9 Re3 -","- C342 H270 F54 N18 O18 P27 Re9 -","3","0.5","","Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu","Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties.","Inorganic chemistry","2015","54","17","8769","8777","10.1021/acs.inorgchem.5b01397","","","1.54186","CuKα","","0.0944","0.0784","","","0.2252","0.2371","","","","","","1.04","","","","has coordinates,has disorder","160517","2020-10-21","18:00:00",""
"4346131","16.7861","0.0004","16.7861","0.0004","47.371","0.002","90","","90","","120","","11559.6","0.6","120","2","120","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C120 H126 N38 Nd6 O30 -","- C120 H112 N38 Nd6 O30 -","- C360 H336 N114 Nd18 O90 -","3","0.5","","Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M.; Poddar, Pankaj; Mondal, Raju","Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior.","Inorganic chemistry","2015","54","17","8197","8206","10.1021/acs.inorgchem.5b00334","","","0.71073","MoKα","","0.1913","0.0856","","","0.1965","0.2238","","","","","","0.967","","","","has coordinates,has disorder","231624","2020-10-21","18:00:00",""
"4347075","16.325","0.005","16.325","0.005","26.077","0.009","90","","90","","120","","6019","3","123","2","123","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C44 H34 F6 Ir N4 P S2 -","- C44 H34 F6 Ir N4 P S2 -","- C264 H204 F36 Ir6 N24 P6 S12 -","6","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0205","0.0189","","","0.043","0.0441","","","","","","1.082","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347775","10.1988","0.0001","10.1988","0.0001","13.4856","0.0003","90","","90","","120","","1214.78","0.03","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C3 H7 N O3 P Zn -","- C3 H7 N O3 P Zn -","- C18 H42 N6 O18 P6 Zn6 -","6","1","","Wang, Kangcai; Bian, Yixuan; Li, Jing; Xu, Dingguo; Lin, Zhien","Amine-Ligated Approach for the Synthesis of Extra-Large-Pore Zinc Phosphites with qtz-h and bnn Topologies.","Inorganic chemistry","2016","55","8","3727","3729","10.1021/acs.inorgchem.6b00589","","x-ray","1.54184","CuKα","","0.0679","0.0669","","","0.1955","0.1982","","","","","","1.172","","","","has coordinates","232494","2020-10-21","18:00:00",""
"4349083","18.464","0.003","18.464","0.003","28.985","0.007","90","","90","","120","","8558","3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C35 H47 Br2 Cl0 N4 Ni2 O7 -","- C35 H47 Br2 N4 Ni2 O7 -","- C210 H282 Br12 N24 Ni12 O42 -","6","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.1371","0.0849","","","0.2079","0.235","","","","","","0.871","","","","has coordinates","233571","2020-10-21","18:00:00",""
"4350171","10.2487","0.0001","10.2487","0.0001","45.1513","0.0005","90","","90","","120","","4107.13","0.07","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","Tetrakis[5-tertbutylpyrazole]zinc(II) bis[5-tertbutylpyrazole] dihexafluorophosphate (compound 4)","","- C42 H72 F12 N12 P2 Zn -","- C42 H72 F12 N12 P2 Zn -","- C126 H216 F36 N36 P6 Zn3 -","3","0.5","","Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.","Inorganic chemistry","2006","45","21","8711","8718","10.1021/ic052144q","","","0.71073","MoKα","","0.0698","0.0499","","","0.1355","0.1494","","","","","","1.041","","","","has coordinates,has disorder","239769","2020-10-21","18:00:00",""
"4500246","10.2272","0.0006","10.2272","0.0006","23.3035","0.0014","90","","90","","120","","2110.9","0.2","153","2","153","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C21 H38 Fe N10 Ni O2 -","- C21 H38 Fe N10 Ni O2 -","- C63 H114 Fe3 N30 Ni3 O6 -","3","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0309","0.0279","","","0.0646","0.0659","","","","","","1.036","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500682","12.6547","0.0012","12.6547","0.0012","28.776","0.005","90","","90","","120","","3990.8","0.9","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C52 H70 N O9 -","- C52 H70 N O9 -","- C156 H210 N3 O27 -","3","0.5","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","0.71073","MoKα","","0.0694","0.0512","","","0.0962","0.0999","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500972","11.199","0.0007","11.199","0.0007","26.231","0.004","90","","90","","120","","2849.1","0.5","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H34 Cu3 N4 O10 S2 -","- C34 H34 Cu3 N4 O10 S2 -","- C102 H102 Cu9 N12 O30 S6 -","3","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0369","0.028","","","0.0414","0.0426","","","","","","1.061","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501366","13.0842","0.0011","13.0842","0.0011","19.878","0.002","90","","90","","120","","2947.1","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C40 H40 Br2 Cu N8 O6 -","- C40 Br2 Cu N8 O6 -","- C120 Br6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.086","0.0777","","","0.2137","0.2216","","","","","","1.736","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501367","13.6744","0.0008","13.6744","0.0008","15.0225","0.0012","90","","90","","120","","2432.7","0.3","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H38 Br2 Cu N8 O9 -","- C28 H18 Br2 Cu N8 O9 -","- C84 H54 Br6 Cu3 N24 O27 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.08","0.0614","","","0.1591","0.1727","","","","","","1.115","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501368","13.0785","0.001","13.0785","0.001","20.083","0.003","90","","90","","120","","2974.9","0.5","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H44 Br2 Cu N8 O6 -","- C34 H44 Br2 Cu N8 O6 -","- C102 H132 Br6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.0263","0.0229","","","0.0579","0.06","","","","","","1.064","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501369","12.9292","0.0006","12.9292","0.0006","20.1039","0.0011","90","","90","","120","","2910.4","0.2","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H44 Cl2 Cu N8 O6 -","- C34 H44 Cl2 Cu N8 O6 -","- C102 H132 Cl6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.0299","0.0262","","","0.0618","0.064","","","","","","1.041","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4503089","9.1884","0.0013","9.1884","0.0013","12.743","0.003","90","","90","","120","","931.7","0.3","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C10 H10 Cd N2 O6 -","- C10 H10 Cd N2 O6 -","- C30 H30 Cd3 N6 O18 -","3","0.5","","Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang","Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures","Crystal Growth & Design","2008","8","2","452","","10.1021/cg0702636","","","0.71073","MoKα","","0.0155","0.0152","","","0.0374","0.0375","","","","","","1.107","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4504458","8.6286","0.0012","8.6286","0.0012","17.727","0.004","90","","90","","120","","1143","0.3","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C48 H54 N12 O6 -","3","0.5","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.2048","0.0758","","","0.1653","0.2103","","","","","","1.037","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4506032","19.68","0.001","19.68","0.001","21.61","0.002","90","","90","","120","","7248.3","0.8","120","2","120","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C99 H100 N12 O31 -","- C99 H100 N12 O31 -","- C297 H300 N36 O93 -","3","0.5","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.1041","0.0904","","","0.2417","0.256","","","","","","1.064","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506438","11.846","0.002","11.846","0.002","8.3276","0.0017","90","","90","","120","","1012","0.3","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H6 N2 O6 Zn -","- C36 H18 N6 O18 Zn3 -","3","0.5","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.1118","0.0876","","","0.1749","0.1857","","","","","","1.002","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506550","25.472","0.004","25.472","0.004","13.143","0.003","90","","90","","120","","7385","2","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C62 H48 Co3 N2 O14 -","- C62 H48 Co3 N2 O14 -","- C186 H144 Co9 N6 O42 -","3","0.5","","Kim, Dongwook; Song, Xiaokai; Yoon, Jung Hee; Lah, Myoung Soo","3,6-Connected Metal‒Organic Frameworks Based on Triscarboxylate as a 3-Connected Organic Node and a Linear Trinuclear Co3(COO)6Secondary Building Unit as a 6-Connected Node","Crystal Growth & Design","2012","12","8","4186","","10.1021/cg300686n","","","0.71073","MoKα","","0.0872","0.08","","","0.2238","0.2319","","","","","","1.024","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4507376","10.1695","0.0009","10.1695","0.0009","41.686","0.007","90","","90","","120","","3733.5","0.8","293","2","293","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H64 Ag3 Co2 La N6 O17 S6 -","- C30 H54 Ag3 Co2 La N6 O17 S6 -","- C90 H162 Ag9 Co6 La3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0714","0.0477","","","0.101","0.1107","","","","","","1.039","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507377","10.1532","0.0008","10.1532","0.0008","41.538","0.006","90","","90","","120","","3708.4","0.7","296","2","296","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H66 Ag3 Co2 Eu N6 O16 S6 -","- C30 H54 Ag3 Co2 Eu N6 O17 S6 -","- C90 H162 Ag9 Co6 Eu3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0949","0.0588","","","0.139","0.1595","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507617","10.7647","0.0002","10.7647","0.0002","26.7578","0.001","90","","90","","120","","2685.25","0.12","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 N3 Ni2 O12.5 -","- C26 H14 N2 Ni2 O11 -","- C78 H42 N6 Ni6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0287","0.0275","","","0.0757","0.0763","","","","","","1.069","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507618","11.0778","0.0003","11.0778","0.0003","27.8793","0.0015","90","","90","","120","","2962.9","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 Co2 N3 O12.5 -","- C26 H14 Co2 N2 O11 -","- C78 H42 Co6 N6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0618","0.0495","","","0.1406","0.1485","","","","","","1.088","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4508835","12.2138","0.0008","12.2138","0.0008","10.033","0.0006","90","","90","","120","","1296.17","0.14","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C16 H16 N2 O6 U -","- C16 H16 N2 O6 U -","- C48 H48 N6 O18 U3 -","3","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0278","0.0254","","","0.046","0.0466","","","","","","0.884","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4509990","14.4328","0.0008","14.4328","0.0008","11.3654","0.0013","90","","90","","120","","2050.3","0.3","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 N6 Ni S9 Sb4 Sn -","- C6 H24 N6 Ni S9 Sb4 Sn -","- C18 H72 N18 Ni3 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.024","0.0206","","","0.0409","0.0419","","","","","","1.029","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509991","14.4431","0.001","14.4431","0.001","11.379","0.0017","90","","90","","120","","2055.7","0.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 Co N6 S9 Sb4 Sn -","- C6 H24 Co N6 S9 Sb4 Sn -","- C18 H72 Co3 N18 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.0265","0.0212","","","0.0353","0.0367","","","","","","1.033","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4512726","22.741","0.002","22.741","0.002","30.38","0.003","90","","90","","120","","13606","2","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C39 H61 Cu4.5 N11 O21 -","- C39 H47 Cu4.5 N11 O21 -","- C234 H282 Cu27 N66 O126 -","6","1","","Deng, Mingli; Yang, Pan; Liu, Xiaofeng; Xia, Bing; Chen, Zhenxia; Ling, Yun; Weng, Linhong; Zhou, Yaming; Sun, Jinyu","End-End Connection Pattern of Trinuclear-Triangular Copper Cluster for Construction of Two Metal‒Organic Frameworks: Syntheses, Structures, Magnetic and Gas Adsorption Properties","Crystal Growth & Design","2015","15","3","1526","","10.1021/acs.cgd.5b00018","","","0.71073","MoKα","","0.1307","0.1025","","","0.2798","0.3073","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4513188","14.0306","0.0003","14.0306","0.0003","28.178","0.0011","90","","90","","120","","4803.9","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C32 H42 Cd N4 O11 -","- C21 H9 Cd O7 -","- C126 H54 Cd6 O42 -","6","1","","Gong, Yun-Nan; Xie, Yong-Rong; Zhong, Di-Chang; Du, Zi-Yi; Lu, Tong-Bu","A Two-Fold Interpenetrating Porous Metal‒Organic Framework with a Large Solvent-Accessible Volume: Gas Sorption and Luminescent Properties","Crystal Growth & Design","2015","15","7","3119","","10.1021/acs.cgd.5b00634","","","1.54178","CuKα","","0.0793","0.0734","","","0.2015","0.2096","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513528","9.9455","0.0003","9.9455","0.0003","42.2668","0.0018","90","","90","","120","","3620.6","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H22 Cd1.5 N2 O7.5 -","- C24 H21 Cd1.5 N2 O7.5 -","- C144 H126 Cd9 N12 O45 -","6","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0667","0.0604","","","0.1605","0.1658","","","","","","1.099","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513784","13.3911","0.0003","13.3911","0.0003","26.1903","0.0007","90","","90","","120","","4067.28","0.17","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","CJ802","","","- C27 H38 B Br O3 -","- C27 H38 B Br O3 -","- C162 H228 B6 Br6 O18 -","6","1","","Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola","Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates.","ACS catalysis","2016","6","1","442","446","10.1021/acscatal.5b02742","","","0.71073","","","0.0713","0.0388","","","0.0943","0.1257","","","","","","1.093","","","","has coordinates","182489","2020-10-21","18:00:00",""
"4515017","12.8928","0.0011","12.8928","0.0011","13.1562","0.0014","90","","90","","120","","1893.9","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H36 Cl3 Cr N4 -","- C24 H36 Cl3 Cr N4 -","- C72 H108 Cl9 Cr3 N12 -","3","0.5","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0574","0.0473","","","0.119","0.125","","","","","","1.058","","","","has coordinates","220156","2020-10-21","18:00:00",""
"4515265","22.711","0.003","22.711","0.003","13.3033","0.0019","90","","90","","120","","5942.4","1.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.0813","0.0566","","","0.1549","0.1697","","","","","","1.066","","","","has coordinates","225432","2020-10-21","18:00:00",""
"4517751","14.9944","0.0003","14.9944","0.0003","9.2172","0.0001","90","","90","","120","","1794.68","0.05","150","0.1","150","0.1","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H11 N2 O3.5 -","- C11 H11 N2 O3.5 -","- C66 H66 N12 O21 -","6","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0957","0.0962","","","","","","1.133","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4518096","34.9242","0.0003","34.9242","0.0003","24.1417","0.0002","90","","90","","120","","25500.7","0.4","99.98","0.13","99.98","0.13","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W.","Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters","ACS Central Science","2020","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.0624","0.0481","","","0.1217","0.1288","","","","","","0.953","","","","has coordinates,has disorder","256866","2020-10-21","18:00:00",""
"5000035","4.91239","0.00004","4.91239","0.00004","5.40385","0.00007","90","","90","","120","","112.9","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Silicon oxide","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Will, G; Bellotto, M; Parrish, W; Hart, M","Crystal structures of quartz and magnesium germanate by profile analysis of synchrotron-radiation high-resolution powder data.","Journal of Applied Crystallography","1988","21","","182","191","10.1107/S0021889887011567","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"5000395","16.5203","0.0002","16.5203","0.0002","25.6779","0.0004","90","","90","","120","","6069.12","0.14","","","200","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","2,5,8,12,15,18,21,25-Octa(t-butyl)diacenaphtho[1,2-l:1',2'-l']-benzo[1,2-j:4,5-j']difluoranthene-10,23-dione Ethyl Acetate Solvate","","- C94 H104 O6 -","- C94 H104 O6 -","- C282 H312 O18 -","3","0.5","","Watson, Jr, James A.; Pascal, Jr, Robert A.; Ho, Douglas M.; Kilway, Kathleen V.","Synthesis and structure of a twisted, colossal quinone","Tetrahedron Letters","2000","41","26","5005","5008","10.1016/S0040-4039(00)00773-5","","","0.71073","MoKα","","0.0706","0.0516","","0.1424","0.1294","","","","1.023","1.046","1.046","","","","","has coordinates,has disorder","277867","2022-09-15","08:51:11",""
"6000360","4.757","","4.757","","5.246","","90","","90","","120","","102.81","","","","","","","","","","","","","3","P 32 2 1","","","","","","- N O P -","","","","","","Leger, J. M.; Haines, J.; de Oliveira, L. S.; Chateau, C.; Le, Sauze A; Marchand, R.; Hull, S.","Crystal structure and high pressure behaviour of the quartz-type phase of phosphorus oxynitride pon","Journal of Physics and Chemistry of Solids","1999","60","","145","152","10.1016/S0022-3697(98)00282-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7001188","9.4042","0.0001","9.4042","","24.1341","0.0004","90","","90","","120","","1848.44","0.04","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C18 H10 Cl Mn3 N4 O10 S2 -","- C18 H10 Cl Mn3 N4 O10 S2 -","- C54 H30 Cl3 Mn9 N12 O30 S6 -","3","0.5","","Ghosh, Shishir; Kabir, Shariff E.; Pervin, Salina; Raha, Arun K.; Golzar Hossain, G. M.; Haworth, Daniel T.; Lindeman, Sergey V.; Bennett, Dennis W.; Siddiquee, Tasneem A.; Salassa, Luca; Roesky, Herbert W.","Tetranuclear group 7/8 mixed-metal and open trinuclear group 7 metal carbonyl clusters bearing bridging 2-mercapto-1-methylimidazole ligands","Dalton Transactions","2009","","18","3510","3518","10.1039/b819226j","","","1.54178","CuKα","","0.0187","0.0183","","","0.0429","0.043","","","","","","1.074","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7002570","15.0614","0.0006","15.0614","0.0006","26.4682","0.0015","90","","90","","120","","5199.8","0.4","120","2","120","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C35 H53 Al O2 S2 -","- C35 H53 Al O2 S2 -","- C210 H318 Al6 O12 S12 -","6","1","","Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun","Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity","Dalton Transactions","2009","","41","9033","9042","10.1039/b909287k","","","0.71073","MoKα","","0.0676","0.0592","","","0.1383","0.1434","","","","","","1.088","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7005784","13.3102","0.0007","13.3102","0.0007","19.1593","0.0019","90","","90","","120","","2939.5","0.4","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C34 H66 Cl2 P2 Pd -","- C34 H66 Cl2 P2 Pd -","- C102 H198 Cl6 P6 Pd3 -","3","0.5","","Muñoz, Bianca K; Godard, Cyril; Marinetti, Angela; Ruiz, Aurora; Benet-Buchholz, Jordi; Claver, Carmen","Pd-catalysed methoxycarbonylation of vinylarenes using chiral monodentate phosphetanes and phospholane as ligands. Effect of substrate substituents on enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2007","","47","5524","5530","10.1039/b705230h","","","0.71073","MoKα","","0.0809","0.0745","","","0.1582","0.1618","","","","","","1.169","","","","has coordinates,has disorder","179761","2020-10-21","18:00:00",""
"7006302","18.591","0.0006","18.591","0.0006","11.7442","0.0007","90","","90","","120","","3515.3","0.3","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C48 H52 N4 O4 S4 -","- C48 H52 N4 O4 S4 -","- C144 H156 N12 O12 S12 -","3","0.5","","Kozlova, Marina N.; Ferlay, Sylvie; Solovieva, Svetlana E.; Antipin, Igor S.; Konovalov, Alexander I.; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: on the formation of 1-D silver coordination networks by thiacalixarenes bearing nitrile groups.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5126","5131","10.1039/b712351e","","","0.71073","MoKα","","0.1001","0.0815","","","0.2107","0.2258","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006434","17.406","0.001","17.406","0.001","11.737","0.001","90","","90","","120","","3079.5","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 32 2 1","P 32 2""","154","Chisholm 1284","","","- C32 H64 N4 O6 Sn2 -","- C32 H64 N4 O6 Sn2 -","- C96 H192 N12 O18 Sn6 -","3","0.5","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","x-ray","0.71073","MoKα","","0.0411","0.0306","","","0.0704","0.074","","","","","","1.046","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7007565","14.1939","0.0007","14.1939","0.0007","37.812","0.004","90","","90","","120","","6597.3","0.8","223","0.5","223","0.5","","","","","","","","5","P 32 2 1","P 32 2""","154","holph18","","","- C92 H126 K4 N8 O -","- C92 H126 K4 N8 O -","- C276 H378 K12 N24 O3 -","3","0.5","","Hebden, Travis J.; Brennessel, William W.; Flaschenriem, Christine J.; Holland, Patrick L.","A dinucleating ligand related to the beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3855","3857","10.1039/b607440e","","","0.71073","MoKα","","0.1051","0.0512","","","0.1184","0.137","","","","","","1.024","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007596","11.9397","0.0005","11.9397","0.0005","35.951","0.002","90","","90","","120","","4438.4","0.4","223","2","223","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Fe(LH3-x) complex (I,I3)1.38","Fe(LH3-x) complex (I,I3)1.38","","- C18 H23.39 Fe I2.63 N10 -","- C18 H23.39 Fe I2.6256 N10 -","- C108 H140.34 Fe6 I15.7536 N60 -","6","1","","Brewer, Greg; Olida, Myro Joy; Schmiedekamp, Ann M.; Viragh, Carol; Zavalij, Peter Y.","A DFT computational study of spin crossover in iron(III) and iron(II) tripodal imidazole complexes. A comparison of experiment with calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5617","5629","10.1039/b607588f","","","0.71073","MoKα","","0.0907","0.0744","","","0.1677","0.1732","","","","","","1","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7009456","14.438","0.002","14.438","0.002","19.673","0.004","90","","90","","120","","3551.5","1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H25 Br N O7 Re -","- C20 H25 Br N O7 Re -","- C120 H150 Br6 N6 O42 Re6 -","6","1","","Heard, Peter J.; King, Paul M.; Tocher, Derek A.","Tricarbonylrhenium(I) halide complexes of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]pyridine (L1) and 2,6-bis[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]pyridine (L2): structure and solution stereodynamics","Journal of the Chemical Society, Dalton Transactions","2000","","11","1769","","10.1039/b001206h","","","0.71073","MoKα","","0.0405","0.0348","","0.0856","0.0814","","","","1.007","1.028","1.028","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7011083","8.5856","0.0014","8.5856","","17.3694","0.0018","90","","90","","120","","1108.8","0.2","294","2","294","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H20 N4 Ni O3 -","- C12 H20 N4 Ni O3 -","- C36 H60 N12 Ni3 O9 -","3","0.5","","Colin L. Weeks; Peter Turner; Ronald R. Fenton; Peter A. Lay","Nickel(II) complexes with amide ligands: oxidative dehydrogenation of the amines in a tetradentate diamide‒diamine ligand","J. Chem. Soc., Dalton Trans.","2002","","6","931","940","10.1039/b107378h","","","1.54178","CuKα","","0.0418","0.0389","","","0.1068","0.1093","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012443","16.9903","0.001","16.9903","0.001","14.7009","0.0015","90","","90","","120","","3675.2","0.5","180","2","180","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C48.5 H39 Cu2 F12 N8 O P2 -","- C48.5 H36 Cu2 F12 N8 O P2 -","- C145.5 H108 Cu6 F36 N24 O3 P6 -","3","0.5","","Tuna, Floriana; Hamblin, Jacqueline; Jackson, Alexander; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J.","Metallo-supramolecular libraries: triangles, polymers and double-helicates assembled by copper(i) coordination to directly linked bis-pyridylimine ligands","Dalton Transactions","2003","","11","2141","","10.1039/b211005a","","","0.71073","MoKα","","0.078","0.0487","","","0.1145","0.1328","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013581","13.5432","0.0001","13.5432","0.0001","50.117","0.0003","90","","90","","120","","7960.83","0.1","173","","173","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C97 H112 F24 N10 O7 P4 Ru2 -","- C96.5 H78 F24 N10 O6.5 P4 Ru2 -","- C289.5 H234 F72 N30 O19.5 P12 Ru6 -","3","0.5","","Bonnet, Sylvestre; Collin, Jean-Paul; Gruber, Nathalie; Sauvage, Jean-Pierre; Schofield, Emma R.","Photochemical and thermal synthesis and characterization of polypyridine ruthenium(ii) complexes containing different monodentate ligandsElectronic supplementary information (ESI) available: View of the dimeric units of 8 and proton indexation used in the 1H NMR data. See http://www.rsc.org/suppdata/dt/b3/b310198c/","Dalton Transactions","2003","","24","4654","","10.1039/b310198c","","","0.71073","Mo-Kα","","0.096","0.073","","0.204","","0.091","","","1.204","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014372","18.579","0.003","18.579","0.003","15.951","0.003","90","","90","","120","","4768.3","1.4","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C67 H97 Al2 N4 O6 -","- C67 H97 Al2 N4 O6 -","- C201 H291 Al6 N12 O18 -","3","0.5","","George, Michael W.; Hall, Michael B.; Portius, Peter; Renz, Amanda L.; Sun, Xue-Zhong; Towrie, Michael; Yang, Xinzheng","Combined experimental and theoretical investigation into C-H activation of cyclic alkanes by Cp'Rh(CO)(2) (Cp' = η(5)-C(5)H(5) or η(5)-C(5)Me(5)).","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1751","1757","10.1039/c0dt00661k","","","0.71073","MoKα","","0.042","0.0377","","","0.1066","0.1111","","","","","","1.059","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7015504","9.0553","0.0002","9.0553","0.0002","10.8872","0.0003","90","","90","","120","","773.13","0.03","300","2","300","2","","","","","","","synthesis as described","4","P 32 2 1","P 32 2""","154","","","","- C7 H8 Mn O7 -","- C7 H8 Mn O7 -","- C21 H24 Mn3 O21 -","3","0.5","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0273","0.0248","","","0.0555","0.0566","","","","","","1.133","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7017408","12.9204","0.0001","12.9204","0.0001","17.7791","0.0002","90","","90","","120","","2570.35","0.04","123","1","123","1","","","","","","","","4","P 32 2 1","P 32 2""","154","(Fe(2,2'-bipy)3)(HCTMCP)","[Fe(2,2'-bipy)3](HCTMCP)","","- C42 H24 Fe N12 -","- C42 H24 Fe N12 -","- C126 H72 Fe3 N36 -","3","0.5","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.0251","0.0227","","","0.0581","0.0593","","","","","","1.03","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7018203","13.571","0.003","13.571","0.003","9.322","0.002","90","","90","","120","","1486.8","0.6","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Br4 Cs1.11 O1.78 Tc -","- Br4 Cs1.111 O1.781 Tc -","- Br24 Cs6.666 O10.686 Tc6 -","6","1","","Poineau, Frederic; Forster, Paul M.; Todorova, Tanya K.; Gagliardi, Laura; Sattelberger, Alfred P.; Czerwinski, Kenneth R.","Multi-configurational quantum chemical studies of the Tc(2)X(8)(n-) (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3(-)).","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2869","2872","10.1039/c2dt11952h","","","0.71073","MoKα","","0.0283","0.0276","","","0.0646","0.0647","","","","","","1.23","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018300","14.7648","0.0001","14.7648","0.0001","36.4182","0.0006","90","","90","","120","","6875.5","0.13","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C68 H106 Cl16 N18 Ni6 O12 -","- C68 H106 Cl16 N18 Ni6 O12 -","- C204 H318 Cl48 N54 Ni18 O36 -","3","0.5","","Cheng, Ting-Peng; Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Dinickel(ii) complexes: Preparation and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3468","3473","10.1039/c2dt11398h","","","0.71073","MoKα","","0.0603","0.0541","","","0.1542","0.1587","","","","","","1.124","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7019233","12.5029","0.002","12.5029","0.002","15.991","0.003","90","","90","","120","","2164.8","0.6","223","","223","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C27 H35 Br2 Mg N3 -","- C27 H35 Br2 Mg N3 -","- C81 H105 Br6 Mg3 N9 -","3","0.5","","Guard, Louise M.; Palma, Julio L.; Stratton, William P.; Allen, Laura J.; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Hazari, Nilay","Synthesis and computational studies of Mg complexes supported by 2,2':6,2''-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8098","8110","10.1039/c2dt12426b","","","0.71075","MoKα","","","0.0424","","","","0.0931","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020486","13.069","0.0004","13.069","0.0004","27.1747","0.0009","90","","90","","120","","4019.6","0.2","145","","145","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H29 Cl Mn1.5 N3 O6 -","- C19 H29 Cl Mn1.5 N3 O6 -","- C114 H174 Cl6 Mn9 N18 O36 -","6","1","","Su, Hongying; Wu, Changqiang; Zhu, Jiang; Miao, Tianxin; Wang, Dan; Xia, Chunchao; Zhao, Xuna; Gong, Qiyong; Song, Bin; Ai, Hua","Rigid Mn(ii) chelate as efficient MRI contrast agent for vascular imaging.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14480","14483","10.1039/c2dt31696j","","","0.7107","MoKα","","0.0583","0.0523","","","0.141","0.1454","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024489","11.6936","0.0004","11.6936","0.0004","28.6993","0.0011","90","","90","","120","","3398.6","0.2","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","Compound 12","","","- C15 H6 Ag4 F9 N O9 -","- C15 H6 Ag4 F9 N O9 -","- C90 H36 Ag24 F54 N6 O54 -","6","1","","Wang, Siegfried M. J.; Zhao, Liang; Mak, Thomas C. W.","Coordination networks constructed with the multinuclear silver-ethynide supramolecular synthon 4-nitrophenyl-C[triple bond]C subset Ag(n) (n = 3, 4, 5).","Dalton transactions (Cambridge, England : 2003)","2010","39","8","2108","2121","10.1039/b917789b","","","1.54178","CuKα","","0.0366","0.0351","","","0.086","0.0868","","","","","","1.079","","","","has coordinates,has disorder","179949","2020-10-21","18:00:00",""
"7026212","14.9484","0.0008","14.9484","0.0008","12.2099","0.001","90","","90","","120","","2362.8","0.3","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C33 H45 Al N2 -","- C33 H45 Al N2 -","- C99 H135 Al3 N6 -","3","0.5","","Qian, Feng; Liu, Keyin; Ma, Haiyan","Amidinate aluminium complexes: synthesis, characterization and ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","8071","8083","10.1039/c0dt00272k","","","0.71073","MoKα","","0.0619","0.055","","","0.1186","0.1219","","","","","","1.118","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026280","14.4083","0.0003","14.4083","0.0003","18.9964","0.0008","90","","90","","120","","3415.29","0.18","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C36 H28 Cl2 N8 Ni O4.5 -","- C36 H28 Cl2 N8 Ni O4.5 -","- C108 H84 Cl6 N24 Ni3 O13.5 -","3","0.5","","Gong, Yun; Zhou, Yuchao; Li, Jinghua; Cao, Rong; Qin, Jianbo; Li, Jian","Reversible color changes of metal(II)-N(1),N(3)-di(pyridin-4-yl)isophthalamide complexes via desolvation and solvation.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9923","9928","10.1039/c0dt00326c","","","0.71073","MoKα","","0.0851","0.0776","","","0.2266","0.237","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026418","24.9951","0.0005","24.9951","0.0005","15.0263","0.0003","90","","90","","120","","8130","0.3","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C68 H122 Cl6 Mn8 N12 O40 -","- C68 H94 Cl6 Mn8 N12 O40 -","- C204 H282 Cl18 Mn24 N36 O120 -","3","0.5","","Wu, Che-Chih; Datta, Saiti; Wernsdorfer, Wolfgang; Lee, Gene-Hsian; Hill, Stephen; Yang, En-Che","Studies of magnetic properties and HFEPR of octanuclear manganese single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10160","10168","10.1039/c0dt00405g","","","0.71073","MoKα","","0.1226","0.0945","","","0.2534","0.2808","","","","","","1.045","","","","has coordinates,has disorder","179970","2020-10-21","18:00:00",""
"7026471","18.579","0.003","18.579","0.003","15.951","0.003","90","","90","","120","","4768.3","1.4","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C67 H97 Al2 N4 O6 -","- C67 H97 Al2 N4 O6 -","- C201 H291 Al6 N12 O18 -","3","0.5","","Gledhill, Alexandra C.; Cosgrove, Nichola E.; Nixon, Tracy D.; Kilner, Colin A.; Fisher, Julie; Kee, Terence P.","Asymmetric general base catalysis of the phospho-aldol reaction via dimeric aluminium hydroxides.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9472","9475","10.1039/c0dt00459f","","","0.71073","MoKα","","0.042","0.0377","","","0.1066","0.1111","","","","","","1.059","","","","has coordinates,has disorder","179970","2020-10-21","18:00:00",""
"7026907","18.788","0.005","18.788","0.005","11.73","0.006","90","","90","","120","","3586","2","123","2","123","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C47 H62 N10 O6.33 Zn -","- C40 H48 N10 O4 Zn -","- C120 H144 N30 O12 Zn3 -","3","0.5","","Cryder, Jessica L.; Killgore, Andrew J.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Daley, Christopher J. A.","Novel metal complexes containing a chiral trinitrogen isoindoline-based pincer ligand: in situ synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10671","10677","10.1039/c0dt00869a","","","0.71073","MoKα","","0.0318","0.0287","","","0.0697","0.0707","","","","","","1.051","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026954","11.781","0.001","11.781","0.001","12.6868","0.0015","90","","90","","120","","1524.9","0.3","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19.5 H27 Cd1.5 N3 O15 S3 -","- C19.5 H33 Cd1.5 N3 O15 S3 -","- C39 H66 Cd3 N6 O30 S6 -","2","0.333333","","Fei, Honghan; Oliver, Scott R. J.","Two cationic metal-organic frameworks based on cadmium and α,ω-alkanedisulfonate anions and their photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11193","11200","10.1039/c0dt01064b","","","0.71073","MoKα","","0.0176","0.0169","","","0.0409","0.0412","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026955","11.8001","0.0008","11.8001","0.0008","12.7024","0.001","90","","90","","120","","1531.75","0.19","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C21 H30 Cd1.5 N3 O15 S3 -","- C21 H36 Cd1.5 N3 O15 S3 -","- C42 H72 Cd3 N6 O30 S6 -","2","0.333333","","Fei, Honghan; Oliver, Scott R. J.","Two cationic metal-organic frameworks based on cadmium and α,ω-alkanedisulfonate anions and their photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11193","11200","10.1039/c0dt01064b","","","0.71073","MoKα","","0.018","0.0179","","","0.0471","0.0472","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029208","23.1415","0.0011","23.1415","0.0011","15.1463","0.0006","90","","90","","120","","7024.6","0.5","173","2","173","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C32 H34 Ag F6 N2 S4 Sb -","- C32 H34 Ag F6 N2 S4 Sb -","- C192 H204 Ag6 F36 N12 S24 Sb6 -","6","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: anion control of dimensionality and connectivity in meta-pyridyl appended tetramercaptotetrathiacalix[4]arene based silver coordination networks.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","158","165","10.1039/c3dt52654b","","","0.71073","MoKα","","0.1821","0.10947","","","0.2534","0.2995","","","","","","1.186","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029275","14.3807","0.0003","14.3807","0.0003","14.3552","0.0003","90","","90","","120","","2570.99","0.09","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H24 N6 O14 P4 Zn3 -","- C14 H24 N6 O14 P4 Zn3 -","- C42 H72 N18 O42 P12 Zn9 -","3","0.5","","Zhang, Xiu-Ling; Cheng, Kai; Wang, Fei; Zhang, Jian","Chiral and achiral imidazole-linked tetrahedral zinc phosphonate frameworks with photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","285","289","10.1039/c3dt52159a","","","0.71073","MoKα","","0.0648","0.0587","","","0.1824","0.1873","","","","","","1.161","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7030090","15.6516","0.0006","15.6516","0.0006","30.325","0.002","90","","90","","120","","6433.5","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C63 H46 N6 O48 Pb10 -","- C63 H42 N6 O48 Pb10 -","- C189 H126 N18 O144 Pb30 -","3","0.5","","Han, Yun-Hu; Tian, Chong-Bin; Du, Shao-Wu","An unusual chiral 3D inorganic connectivity featuring a {Pb18} wheel: rapid and highly selective and sensitive sensing of Co(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11461","11464","10.1039/c4dt00905c","","","0.71073","MoKα","","0.0819","0.0787","","","0.1855","0.188","","","","","","0.998","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7031638","21.61754","0.00011","21.61754","0.00011","19.15394","0.00011","90","","90","","120","","7751.78","0.07","179.95","0.1","179.95","0.1","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C92 H80 Cl2 Mn4 N16 O16 P2 -","- C92 H80 Cl2 Mn4 N16 O16 P2 -","- C276 H240 Cl6 Mn12 N48 O48 P6 -","3","0.5","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","1.5418","CuKα","","0.0302","0.029","","","0.0814","0.0826","","","","","","1.061","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7034278","16.74461","0.00011","16.74461","0.00011","34.2624","0.0003","90","","90","","120","","8319.52","0.11","160","0.14","160","0.14","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C103 H120 Cu4 N16 O33 -","- C103 H120 Cu4 N16 O33 -","- C309 H360 Cu12 N48 O99 -","3","0.5","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0249","0.0247","","","0.0643","0.0645","","","","","","1.073","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7035185","11.684","0.004","11.684","0.004","16.157","0.008","90","","90","","120","","1910.2","1.3","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C27 H22 Cd N2 O4 S2 -","- C27 H22 Cd N2 O4 S2 -","- C81 H66 Cd3 N6 O12 S6 -","3","0.5","","Sun, Yan-Qiong; Zhong, Jie-Cen; Ding, Ling; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of chiral 3D Cd(ii) frameworks from achiral mixed flexible ligands by spontaneous resolution.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11852","11859","10.1039/c5dt01454a","","","0.71073","MoKα","","0.1575","0.093","","","0.1268","0.1509","","","","","","1.024","","","","has coordinates","143478","2020-10-21","18:00:00",""
"7035225","11.3994","0.0003","11.3994","0.0003","41.5243","0.0012","90","","90","","120","","4673","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C58 H56 Co3 N8 O20 -","- C58 H44 Co3 N8 O20 -","- C174 H132 Co9 N24 O60 -","3","0.5","","Xu, Zhong-Xuan; Kang, Yao; Han, Min-Le; Li, Dong-Sheng; Zhang, Jian","Integration of a semi-rigid proline ligand and 4,4'-bipyridine in the synthesis of homochiral metal-organic frameworks with helices.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11052","11056","10.1039/c5dt01151e","","","0.71073","MoKα","","0.0666","0.0623","","","0.174","0.179","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037466","13.797","0.002","13.797","0.002","22.938","0.005","90","","90","","120","","3781.4","1.1","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 N O8 Tb -","- C16 H6 O8 Tb -","- C96 H36 O48 Tb6 -","6","1","","Zhao, Xiao-Lin; Tian, Dan; Gao, Qiang; Sun, Hong-Wei; Xu, Jian; Bu, Xian-He","A chiral lanthanide metal-organic framework for selective sensing of Fe(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1040","1046","10.1039/c5dt03283k","","","0.71073","MoKα","","0.0488","0.038","","","0.0636","0.066","","","","","","1.089","","","","has coordinates","176050","2020-10-21","18:00:00",""
"7038194","21.3078","0.0011","21.3078","0.0011","8.7689","0.0003","90","","90","","120","","3447.9","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C42.5 H72 Mo2 O4 P4 -","- C42.5 H72 Mo2 O4 P4 -","- C127.5 H216 Mo6 O12 P12 -","3","0.5","","Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy","The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4961","4964","10.1039/c5dt04983k","","","0.71073","MoKα","","0.0213","0.0205","","","0.0491","0.0495","","","","","","1.107","","","","has coordinates,has disorder","181675","2020-10-21","18:00:00",""
"7038195","21.4329","0.0008","21.4329","0.0008","8.837","0.0003","90","","90","","120","","3515.6","0.2","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C40 H66 O4 P4 W2 -","- C40 H66 O4 P4 W2 -","- C120 H198 O12 P12 W6 -","3","0.5","","Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy","The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4961","4964","10.1039/c5dt04983k","","","0.71073","MoKα","","0.0453","0.0403","","","0.0903","0.094","","","","","","1.056","","","","has coordinates","181675","2020-10-21","18:00:00",""
"7038860","16.0226","0.0004","16.0226","0.0004","34.0974","0.0012","90","","90","","120","","7580.8","0.4","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C45 H50 Cl2 Cu N6 O9 -","- C45 H34 Cl2 Cu N6 O8.988 -","- C270 H204 Cl12 Cu6 N36 O53.928 -","6","1","","Mahendiran, Dharmasivam; Kumar, Raju Senthil; Viswanathan, Vijayan; Velmurugan, Devadasan; Rahiman, Aziz Kalilur","Targeting of DNA molecules, BSA/c-Met tyrosine kinase receptors and anti-proliferative activity of bis(terpyridine)copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7794","7814","10.1039/c5dt03831f","","","0.71073","MoKα","","0.1221","0.0659","","","0.1643","0.1873","","","","","","0.926","","","","has coordinates,has disorder","182670","2020-10-21","18:00:00",""
"7039768","17.822","0.0004","17.822","0.0004","21.4837","0.0008","90","","90","","120","","5909.5","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C78 H112 Al2 O6 P2 -","- C78 H112 Al2 O6 P2 -","- C234 H336 Al6 O18 P6 -","3","0.5","","Chang, Yu-Ning; Lee, Pei-Ying; Zou, Xue-Ru; Huang, Han-Fan; Chen, Yi-Wei; Liang, Lan-Chang","Aluminum complexes containing biphenolate phosphine ligands: synthesis and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15951","15962","10.1039/c6dt02143c","","","0.71073","MoKα","","0.1166","0.0766","","","0.1943","0.2231","","","","","","1.007","","","","has coordinates","188210","2020-10-21","18:00:00",""
"7039979","8.6935","0.0004","8.6935","0.0004","19.7356","0.0014","90","","90","","120","","1291.73","0.12","173.15","","173.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C14 H10 Mo2 O4 Sb2 -","- C14 H10 Mo2 O4 Sb2 -","- C42 H30 Mo6 O12 Sb6 -","3","0.5","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","","0.71073","MoKα","","0.0207","0.0196","","","0.0519","0.0521","","","","","","1.138","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7040112","15.398","0.008","15.398","0.008","25.456","0.014","90","","90","","120","","5227","5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C66 H60 Cd3 N4 O23 -","- C66 H58 Cd3 N4 O23 -","- C198 H174 Cd9 N12 O69 -","3","0.5","","Huang, Wen-Huan; Li, Jia-Zhi; Gao, Lu-Sha; Wang, Yan-Xin; Liu, Shu-Ya; Jiang, Min; Liu, Tong; Wang, Yao-Yu","The influence of structural isomerism on fluorescence and organic dye selective adsorption in two complexes based on flexible ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15060","15066","10.1039/c6dt02090a","","","0.71073","MoKα","","0.1043","0.0703","","","0.178","0.2044","","","","","","1.027","","","","has coordinates,has disorder","188119","2020-10-21","18:00:00",""
"7043551","16.572","0.006","16.572","0.006","10.62","0.004","90","","90","","120","","2525.8","1.6","298","","298","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C9 H14 Cu N4 O6 -","- C8 H5 Cu N4 O2.5 -","- C48 H30 Cu6 N24 O15 -","6","1","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.1199","0.0524","","","0.0856","0.105","","","","","","0.914","","","","has coordinates,has disorder","198617","2020-10-21","18:00:00",""
"7045236","10.6552","0.0004","10.6552","0.0004","11.0809","0.0005","90","","90","","120","","1089.5","0.08","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C18 H21 Mn6 O42 Ti3 -","5","0.833333","","Chen, Shuai; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Hydrogen bond-assisted homochiral lattice packing between inorganic helices built from heterometallic units.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2134","2137","10.1039/c7dt04112h","","x-ray","0.71073","MoKα","","0.0339","0.0291","","","0.0617","0.0648","","","","","","1.001","","","","has coordinates","229799","2020-10-21","18:00:00",""
"7048551","11.018","0.0012","11.018","0.0012","21.837","0.002","90","","90","","120","","2295.8","0.4","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H8 Cu N4 O4 S -","- C14 H8 Cu N4 O4 S -","- C84 H48 Cu6 N24 O24 S6 -","6","1","","Gogia, Alisha; Mandal, Sanjay K.","A rational design and green synthesis of 3D metal organic frameworks containing a rigid heterocyclic nitrogen-rich dicarboxylate: structural diversity, CO<sub>2</sub> sorption and selective sensing of 2,4,6-TNP in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2388","2398","10.1039/c8dt04474k","","","0.71073","MoKα","","0.0462","0.044","","","0.1077","0.1092","","","","","","1.047","","","","has coordinates","224302","2020-10-21","18:00:00",""
"7048785","11.2232","0.0015","11.2232","0.0015","27.924","0.004","90","","90","","120","","3046.1","0.7","150","","150","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C18 H24 B0.5 Cu0.5 F2 N2 -","- C18 H24 B0.5 Cu0.5 F2 N2 -","- C108 H144 B3 Cu3 F12 N12 -","6","1","","Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd","A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies","Dalton Transactions","2019","","","","","10.1039/C8DT04858D","","","0.71073","MoKα","","0.0857","0.0787","","","0.2163","0.2253","","","","","","1.097","","","","has coordinates,has disorder","213360","2020-10-21","18:00:00",""
"7050784","8.721","0.002","8.721","0.002","8.701","0.002","90","","90","","120","","573.1","0.2","123","2","123","2","","","","","","","chemical synthesis","3","P 32 2 1","P 32 2""","154","","Benzene/Dibromine Molecular Complex 1:1","","- C6 H6 Br2 -","- C6 H6 Br2 -","- C18 H18 Br6 -","3","0.5","","Vasilyev, Alexandr V.; Lindeman, Sergey V.; Kochi, Jay K.","Molecular structures of the metastable charge-transfer complexes of benzene (and toluene) with bromine as the pre-reactive intermediates in electrophilic aromatic bromination","New Journal of Chemistry","2002","26","5","582","","10.1039/b110169m","","","0.71073","MoKα","","0.0759","0.0634","","0.1781","0.1438","","","","1.171","1.18","1.18","","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7052871","9.2135","0.0014","9.2135","0.0014","12.344","0.0011","90","","90","","120","","907.5","0.2","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","cobaltocenium hexafluoridophosphate","","","- C10 H10 Co F6 Sb -","- C10 H10 Co F6 Sb -","- C30 H30 Co3 F18 Sb3 -","3","0.5","","Diana, Eliano; Chierotti, Michele R.; Marchese, Edoardo M. C.; Croce, Gianluca; Milanesio, Marco; Stanghellini, Pier Luigi","Blue and red shift hydrogen bonds in crystalline cobaltocinium complexes","New Journal of Chemistry","2012","36","4","1099","","10.1039/c2nj20760e","","","0.71073","MoKα","","0.0303","0.0286","","","0.0726","0.0741","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053909","8.8996","0.0001","8.8996","0.0001","39.5773","0.0011","90","","90","","120","","2714.67","0.09","123","2","123","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C38 H40 Cu N4 O10 -","- C38 H40 Cu N4 O10 -","- C114 H120 Cu3 N12 O30 -","3","0.5","","Tanaka, Koichi; Kikumoto, Yuki; Hota, Naoki; Takahashi, Hiroki","Homochiral coordination polymers with nanotubular channels for enantioselective sorption of chiral guest molecules","New Journal of Chemistry","2014","38","3","880","","10.1039/c3nj01058a","","","0.71075","MoKα","","0.0558","0.0524","","","0.1377","0.1453","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054626","7.42","0.0003","7.42","0.0003","12.11","0.0007","90","","90","","120","","577.41","0.05","173","2","173","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C2 H8 O8 Zn -","- C2 H8 O8 Zn -","- C6 H24 O24 Zn3 -","3","0.5","","Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer","New J. Chem.","2015","39","3","2075","","10.1039/C4NJ02017K","","","0.71073","MoKα","","0.0405","0.0365","","","0.0712","0.0732","","","","","","1.052","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7058664","14.4159","0.0003","14.4159","0.0003","26.7513","0.0012","90","","90","","120","","4814.6","0.3","298","2","298","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C61.5 H55 Cl3 Cu2 I2 P4 S2 -","- C61.5 H55 Cl3 Cu2 I2 P4 S2 -","- C184.5 H165 Cl9 Cu6 I6 P12 S6 -","3","0.5","","Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei","Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands","New Journal of Chemistry","2019","43","34","13408","","10.1039/C9NJ01417A","","","0.71073","MoKα","","0.0448","0.0309","","","0.0701","0.0761","","","","","","1.048","","","","has coordinates","224973","2020-10-21","18:00:00",""
"7061442","15.9613","0.0006","15.9613","0.0006","25.1755","0.001","90","","90","","120","","5554.5","0.4","99.9","0.3","99.9","0.3","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H27 Cl7 N P Pd2 S Se -","- C32 H27 Cl7 N P Pd2 S Se -","- C192 H162 Cl42 N6 P6 Pd12 S6 Se6 -","6","1","","Rodríguez-Álvarez, Aurora; González-Espinoza, Cristina E.; Martínez-De-León, Carla Gabriela; Carrillo-Tripp, Mauricio; Hô, Minhhuy; Grévy, Jean-Michel","Experimental and theoretical insights into the trans influence of organo-sulfur and -selenium ligands in 5,6-membered palladium(ii) cationic pincer complexes based on iminophosphoranes","New Journal of Chemistry","2022","46","19","9344","9356","10.1039/D2NJ00924B","","x-ray","0.71073","MoKα","","0.0512","0.038","","","0.0692","0.0743","","","","","","1.032","","","","has coordinates,has disorder","275791","2022-06-06","01:52:36",""
"7062484","16.0798","0.0012","16.0798","0.0012","22.355","0.003","90","","90","","120","","5005.7","0.9","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C56 H34 I8 N10 Ni3 O6 -","- C56 H34 I8 N10 Ni3 O6 -","- C168 H102 I24 N30 Ni9 O18 -","3","0.5","","Kumar, Sunil; Choudhary, Mukesh","A phenoxy-bridged trinuclear Ni(ii) complex: synthesis, structural elucidation and molecular docking with viral proteins","New Journal of Chemistry","2023","47","21","10424","10445","10.1039/D3NJ01351K","","","1.54178","CuKα","","0.0668","0.0545","","","0.1106","0.1218","","","","","","1.12","","","","has coordinates","284289","2023-06-05","04:40:26",""
"7062947","9.3538","0.0001","9.3538","0.0001","24.4673","0.0003","90","","90","","120","","1853.93","0.04","162","18","162","18","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C29 H31 N5 O3 -","- C29 H31 N5 O3 -","- C87 H93 N15 O9 -","3","0.5","","Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li","Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters","New Journal of Chemistry","2024","48","4","1688","1695","10.1039/D3NJ05076A","","x-ray","1.54184","CuKα","","0.038","0.0378","","","0.1036","0.1037","","","","","","1.085","","","","has coordinates","289592","2024-02-04","12:22:42",""
"7100574","15.733","0.006","15.733","0.006","4.973","0.003","90","","90","","120","","1066","0.9","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","PhBPTSEt","","","- C13 H10 N3 S2 Se2 -","- C13 H10 N3 S2 Se2 -","- C39 H30 N9 S6 Se6 -","3","0.5","","Richard Oakley; Leanne Beer; Jaclyn L. Brusso; Robert C. Haddon; Mikhail E. Itkis; Robert W. Reed; J.F.Richardson; Richard Secco; Xueyang Yu.","The effect of selenium incorporation on the bandwidth and conductivity of neutral radical conductors","Chemical Communications","2005","","","","","10.1039/b511648a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208251","2020-10-21","18:00:00",""
"7100772","9.1524","0.0014","9.1524","0.0014","31.283","0.007","90","","90","","120","","2269.4","0.7","203","2","203","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C9 H5 F6 Fe N O6 S2 -","- C9 H5 F6 Fe N O6 S2 -","- C54 H30 F36 Fe6 N6 O36 S12 -","6","1","","Warren Oldham; David A. Costa; Brian L. Scott; Michael E. Stoll; D. Bridget Williams","Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids","Chemical Communications","2005","","","","","10.1039/b416830e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101246","14.1473","0.0005","14.1473","0.0005","23.316","0.0018","90","","90","","120","","4041.4","0.4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C46 H46 Ag2 N18 O9 -","- C46 H36 Ag2 N18 O9 -","- C138 H108 Ag6 N54 O27 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.1005","0.0553","","","0.1376","0.1484","","","","","","1.02","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7101248","15.3556","0.0018","15.3556","0.0018","21.479","0.005","90","","90","","120","","4386.1","1.2","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C52 H40 Ag2 Cl1.67 N12.33 O7.67 -","- C52 H40 Ag2 Cl1.67 N12.33 O7.67 -","- C156 H120 Ag6 Cl5.01 N36.99 O23.01 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.0791","0.0606","","","0.1451","0.1539","","","","","","1.031","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7102194","13.298","0.002","13.298","0.002","29.544","0.005","90","","90","","120","","4524.5","1.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C28 H16 N0 O10 Zn2 -","- C28 H16 O10 Zn2 -","- C168 H96 O60 Zn12 -","6","1","","Ma, Yi; Han, Zhengbo; He, Yongke; Yang, Liguo","A 3D chiral Zn(II) coordination polymer with triple Zn-oba-Zn helical chains (oba = 4,4'-oxybis(benzoate)).","Chemical communications (Cambridge, England)","2007","","40","4107","4109","10.1039/b708479j","","","0.71073","MoKα","","0.1153","0.0738","","","0.1936","0.2357","","","","","","1.041","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7103014","4.9115","0.0004","4.9115","","5.4038","0.0008","90","","90","","120","","112.892","0.017","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Henry, Paul F; Weller, Mark T; Wilson, Chick C","Hydrogenous materials using powder neutron diffraction: full structural determination of adsorbed water molecules in a zeolite.","Chemical communications (Cambridge, England)","2008","","13","1557","1559","10.1039/b719464a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103287","9.0773","0.0005","9.0773","0.0005","31.015","0.003","90","","90","","120","","2213.2","0.3","223","2","223","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C14 H16 N O6.5 Zn -","- C14 H16 N O6.5 Zn -","- C84 H96 N6 O39 Zn6 -","6","1","","Leong, Wei Lee; Tam, Anthony Yiu-Yan; Batabyal, Sudip K; Koh, Lee Wah; Kasapis, Stefan; Yam, Vivian Wing-Wah; Vittal, Jagadese J","Fluorescence enhancement of coordination polymeric gel.","Chemical communications (Cambridge, England)","2008","","31","3628","3630","10.1039/b807478j","","","0.71073","MoKα","","0.0499","0.0425","","","0.0895","0.0923","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104109","9.671","0.0004","9.671","0.0004","22.674","0.0017","90","","90","","120","","1836.54","0.17","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C26 H30 N2 O9 -","- C26 H26 N2 O9 -","- C78 H78 N6 O27 -","3","0.5","","Yao, Qing-Xia; Xuan, Wei-Min; Zhang, Hui; Tu, Chao-Yang; Zhang, Jie","The formation of a hydrated homochiral helix from an achiral zwitterionic salt, spontaneous chiral symmetry breaking and redox chromism of crystals.","Chemical communications (Cambridge, England)","2008","34","1","59","61","10.1039/b815456b","","","0.71073","MoKα","","0.0457","0.0431","","","0.1176","0.1195","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108721","13.947","0.0003","13.947","0.0003","27.8553","0.0008","90","","90","","120","","4692.5","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C16 H30 N4 Se7 Sn3 -","- C16 H30 N4 Se7 Sn3 -","- C96 H180 N24 Se42 Sn18 -","6","1","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0826","0.0519","","","0.1099","0.1262","","","","","","1.069","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7111024","17.674","0.005","17.674","0.005","15.531","0.003","90","","90","","120","","4201.5","1.9","293","2","293","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C17 H24 B0.5 F2 N4 O3.5 S Zn -","- C17.03 H24 B0.5 F2 N4 O3.5 S Zn -","- C102.18 H144 B3 F12 N24 O21 S6 Zn6 -","6","1","","Hammes, Brian S.; Carrano, Carl J.","Methylation of (2-methylethanethiol-bis-3,5-dimethylpyrazolyl)methane zinc complexes and coordination of the resulting thioether: relevance to zinc-containing alkyl transfer enzymes","Chemical Communications","2000","","17","1635","","10.1039/b004338i","","","0.71073","MoKα","","0.0971","0.0728","","0.2508","0.2119","","","","0.99","0.965","0.965","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113038","11.573","0.004","11.573","","19.653","0.007","90","","90","","120","","2279.6","1.1","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C34 H40 Cl2 N2 Zn -","- C34 H40 Cl2 N2 Zn -","- C102 H120 Cl6 N6 Zn3 -","3","0.5","","Hagar, Mohamed; Ragaini, Fabio; Monticelli, Elena; Caselli, Alessandro; Macchi, Piero; Casati, Nicola","Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds.","Chemical communications (Cambridge, England)","2010","46","33","6153","6155","10.1039/c0cc00977f","","","0.71069","MoKα","","0.1042","0.0519","","","0.0798","0.0946","","","","","","1.006","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7114849","8.721","0.002","8.721","0.002","8.701","0.002","90","","90","","120","","573.1","0.2","123","2","123","2","","","","","","","chemical synthesis","3","P 32 2 1","P 32 2""","154","","Benzene/Dibromine Molecular Complex 1:1","","- C6 H6 Br2 -","- C6 H6 Br2 -","- C18 H18 Br6 -","3","0.5","","Vasilyev, Aleksandr V.; Lindeman, Sergey V.; Kochi, Jay K.","Noncovalent binding of the halogens to aromatic donors. Discrete structures of labile Br2 complexes with benzene and toluene","Chemical Communications","2001","","10","909","","10.1039/b102148f","","","0.71073","MoKα","","0.0759","0.0634","","0.1781","0.1438","","","","1.171","1.18","1.18","","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7115173","12.699","0.003","12.699","0.002","11.995","0.002","90","","90","","120","","1675.2","0.6","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C17 H32 I2 P2 Pt -","- C17 H32 I2 P2 Pt -","- C51 H96 I6 P6 Pt3 -","3","0.5","","Fernandez, Elena; Gillon, Amy; Heslop, Katie; Horwood, Emily; Hyett, David J.; Orpen, A. Guy; Pringle, Paul G.","Rationally designed improvement of the bis(phospholano)ethane ligand for asymmetric hydrogenation leads to a reappraisal of the factors governing the enantioselectivity of Duphos catalysts","Chemical Communications","2000","","17","1663","","10.1039/b002994g","","","0.71073","MoKα","","0.041","0.0343","","","0.0799","0.0818","","","","","","1.079","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115994","22.0866","0.0014","22.0866","0.0014","19.183","0.003","90","","90","","120","","8104.1","1.5","123","2","123.15","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C68 H132 Dy6 Mo4 N6 O58 -","- C68 H94 Dy6 Mo4 N6 O40 -","- C204 H282 Dy18 Mo12 N18 O120 -","3","0.5","","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","","0.0516","0.049","","","0.1118","0.1129","","","","","","1.137","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115996","21.9826","0.0006","21.9826","0.0006","19.1459","0.0007","90","","90","","120","","8012.4","0.4","153","2","153","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C65 H120 Dy6 Mo4 N6 O55 -","- C64 H88 Dy6 Mo4 N6 O40 -","- C192 H264 Dy18 Mo12 N18 O120 -","3","0.5","","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","","0.1247","0.1015","","","0.2123","0.2257","","","","","","1.161","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116660","18.927","0.003","18.927","0.003","24.693","0.005","90","","90","","120","","7661","2","113.15","","113.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C46 H79 Fe9 N2 O50 -","- C46 H79 Fe9 N2 O50 -","- C138 H237 Fe27 N6 O150 -","3","0.5","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Jian Xu; Ze Chang; Xian-He Bu","A three dimensional magnetically frustrated metal-organic framework via the vertices augmentation of underlying net","Chem.Commun.","2015","51","","4627","","10.1039/C4cc09547B","","","0.71073","MoKα","","0.0545","0.0518","","","0.1448","0.1474","","","","","","1.089","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116811","18.1019","0.0008","18.1019","0.0008","24.668","0.002","90","","90","","120","","7000.2","0.7","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","Medi-MOF-1","","","- C42 H34 O12 Zn3 -","- C42 H34 O12 Zn3 -","- C126 H102 O36 Zn9 -","3","0.5","","Hongmin Su; Fuxing Sun; Jiangtao Jia; Hongming He; Aifei Wang; Guangshan Zhu","A highly porous medical metal-organic framework constructed from bioactive curcumin","Chem.Commun.","2015","51","","5774","","10.1039/C4cc10159F","","","0.71073","MoKα","","0.1335","0.0692","","","0.2338","0.2569","","","","","","1.078","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7117087","13.156","0.003","13.156","0.003","28.415","0.008","90","","90","","120","","4259.2","1.8","93","2","93","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","1,2-bis(indol-2-yl)benzene di(4-methyl)phenylsilyl complex","","- C73 H58 Cl2 N4 Si2 -","- C73 H58 Cl2 N4 Si2 -","- C219 H174 Cl6 N12 Si6 -","3","0.5","","Takayuki Tanaka; Atsuhiro Osuka","Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state","Chem.Commun.","2015","51","","8123","","10.1039/C5cc01625H","","","1.54187","CuKα","","0.0275","0.0269","","","0.0716","0.0719","","","","","","1.03","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117596","10.7314","0.0002","10.7314","0.0002","23.1419","0.0006","90","","90","","120","","2308.04","0.09","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C9 H16 Cl Cu0.5 N O6 S2 -","- C9 H16 Cl Cu0.5 N O6 S2 -","- C54 H96 Cl6 Cu3 N6 O36 S12 -","6","1","","Rancan, Marzio; Armelao, Lidia","Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.","Chemical communications (Cambridge, England)","2015","51","65","12947","12949","10.1039/c5cc04349b","","","0.71073","MoKα","","0.038","0.0334","","","0.0826","0.0854","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7119067","11.4418","0.0008","11.4418","0.0008","23.88","0.003","90","","90","","120","","2707.4","0.4","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C29 H36 Au F6 N3 O4 S2 -","- C29 H36 Au F6 N3 O4 S2 -","- C87 H108 Au3 F18 N9 O12 S6 -","3","0.5","","Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu","Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles","Chem.Commun.","2016","52","","6324","","","","","0.71073","MoKα","","0.0313","0.028","","","0.061","0.062","","","","","","1.006","","","","has coordinates","184110","2020-10-21","18:00:00",""
"7120641","15.803","0.002","15.803","0.002","21.901","0.003","90","","90","","120","","4736.7","1.1","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C58 H74 Au2 Cl4 N4 O2 -","- C58 H74 Au2 Cl4 N4 O2 -","- C174 H222 Au6 Cl12 N12 O6 -","3","0.5","","Zhang, Jun; Chen, Haifeng; Wang, Jiwei; Hu, Zejun; Xu, Sheng; Shi, Min","Catalytic domino amination and oxidative coupling of gold acetylides and isolation of key vinylene digold intermediates as a new class of ditopic N-heterocyclic carbene complexes","Chem. Commun.","2017","","","","","10.1039/C7CC06069F","","","0.71073","MoKα","","0.038","0.027","","","0.062","0.0669","","","","","","1.052","","","","has coordinates","200806","2020-10-21","18:00:00",""
"7121886","9.8558","0.0005","9.8558","0.0005","18.9035","0.0011","90","","90","","120","","1590.22","0.15","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H28 Br N5 O3 S -","- C19 H28 Br N5 O3 S -","- C57 H84 Br3 N15 O9 S3 -","3","0.5","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0396","0.0267","","","0.0623","0.0661","","","","","","1.048","","","","has coordinates,has disorder","228115","2020-10-21","18:00:00",""
"7122548","16.9961","0.0004","16.9961","0.0004","19.8792","0.0005","90","","90","","120","","4973.1","0.2","173","2","173.15","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C64 H60 Cl Dy N8 O22 Zn3 -","- C64 H60 Cl Dy N8 O22 Zn3 -","- C192 H180 Cl3 Dy3 N24 O66 Zn9 -","3","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Xiong, Ren-Gen; Hao, Xiang; Zhu, Dao-Ben","A homochiral Zn-Dy heterometallic left-handed helical chain complex without chiral ligands: anion-induced assembly and multifunctional integration.","Chemical communications (Cambridge, England)","2018","54","95","13379","13382","10.1039/c8cc07468b","","","0.71073","MoKα","","0.0463","0.0445","","","0.1115","0.1127","","","","","","1.093","","","","has coordinates","228530","2020-10-21","18:00:00",""
"7124466","8.729","0.009","8.729","0.009","33.58","0.04","90","","90","","120","","2216","4","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H42 Cl2 Cu N4 O14 -","- C16 H42 Cl2 Cu N4 O14 -","- C48 H126 Cl6 Cu3 N12 O42 -","3","0.5","","Nakakoji, Takashi; Sato, Hirofumi; Ono, Daisuke; Miyake, Hiroyuki; Shinoda, Satoshi; Tsukube, Hiroshi; Kawasaki, Hideya; Arakawa, Ryuichi; Shizuma, Motohiro","Mass spectrometric detection of enantioselectivity in three-component complexation, copper(ii)-chiral tetradentate ligand-free amino acid in solution.","Chemical communications (Cambridge, England)","2019","56","1","54","57","10.1039/c9cc07231d","","","0.7107","MoKα","","0.0448","0.0415","","","0.0939","0.0971","","","","","","1.277","","","","has coordinates,has disorder","247577","2020-10-21","18:00:00",""
"7128953","19.0231","0.0005","19.0231","0.0005","12.4374","0.0004","90","","90","","120","","3897.83","0.19","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","1","0.166667","","Magott, Michał; Pinkowicz, Dawid","Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.","Chemical communications (Cambridge, England)","2021","57","77","9926","9929","10.1039/d1cc03870b","","","0.71073","MoKα","","0.0436","0.0403","","","0.0911","0.0929","","","","","","1.083","","","","has coordinates","269624","2021-10-06","13:49:33",""
"7130190","8.6028","0.0002","8.6028","0.0002","34.6337","0.0008","90","","90","","120","","2219.78","0.09","113.15","","113.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C19 H16 N O Zn0.5 -","- C19 H16 N O Zn0.5 -","- C114 H96 N6 O6 Zn3 -","6","1","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","x-ray","0.71073","MoKα","","0.0472","0.039","","","0.0711","0.0732","","","","","","1.095","","","","has coordinates","275773","2022-06-03","21:54:12",""
"7150061","9.7754","0.0007","9.7754","0.0007","20.3627","0.0019","90","","90","","120","","1685.1","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","","Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank","1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine.","Organic & biomolecular chemistry","2005","3","9","1714","1718","10.1039/b418849g","","","0.71073","MoKα","","0.0424","0.0396","","","0.1159","0.1207","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150182","14.3841","0.0002","14.3841","0.0002","13.98","0.0004","90","","90","","120","","2504.97","0.09","100","","100","","","","","","","","","6","P 32 2 1","P 32 2""","154","","(S,S) C,C,C-Trifluoro-N-(2-trifluoromethanesulfonylamino-cyclohexyl) -methanesulfonamide","","- C9.8 H12 F6 N2 O4 S2 -","- C9.59 H12 F6 N2 O4 S2 -","- C57.54 H72 F36 N12 O24 S12 -","6","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.034","","","","0.036","","","","","","1.027","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7200477","14.4804","0.0007","14.4804","0.0007","18.9354","0.0018","90","","90","","120","","3438.5","0.4","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C36 H28 Cl2 Co N8 O4 -","- C36 H28 Cl2 Co N8 O4 -","- C108 H84 Cl6 Co3 N24 O12 -","3","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.1187","0.0585","","","0.1375","0.1532","","","","","","0.862","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200678","12.9207","0.0003","12.9207","0.0003","19.932","0.001","90","","90","","120","","2881.73","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C40 H40 Cl2 Cu N8 O6 -","- C40 H40 Cl2 Cu N8 O6 -","- C120 H120 Cl6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0403","0.0332","","","0.0787","0.0817","","","","","","1.042","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200931","11.321","0.002","11.321","0.002","19.872","0.003","90","0.005","90","0.005","120","0.005","2205.7","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H26 N8 O14 Zn3 -","- C20 H16 N8 O14 Zn3 -","- C60 H48 N24 O42 Zn9 -","3","0.5","","Xu, Yan-Hong; Lan, Ya-Qian; Wu, Shui-Xing; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi","Unprecedented interweaving of single-helical chains into a chiral metal‒organic framework based on a flexible ligand","CrystEngComm","2009","11","8","1711","","10.1039/b901042d","","","0.71069","MoKα","","0.0652","0.0521","","","0.1397","0.1521","","","","","","1.033","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7206121","14.0995","0.001","14.0995","0.001","20.05","0.002","90","","90","","120","","3451.9","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H32 Cu2 N2 O12 -","- C54 H32 Cu2 N2 O12 -","- C162 H96 Cu6 N6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0836","0.0671","","","0.178","0.1931","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206122","14.096","0.005","14.096","0.005","20.062","0.005","90","0.005","90","0.005","120","0.005","3452.2","1.9","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H14.33 N2 Ni2 O13 -","- C54 H32 N2 Ni2 O12 -","- C162 H96 N6 Ni6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71069","MoKα","","0.0966","0.0754","","","0.1947","0.2128","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206664","11.4284","0.0007","11.4284","0.0007","30.743","0.004","90","","90","","120","","3477.3","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H21 Co N3 O7 S -","- C20 H21 Co N3 O7 S -","- C120 H126 Co6 N18 O42 S6 -","6","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0535","0.0469","","","0.1218","0.1273","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7208009","11.9058","0.0007","11.9058","0.0007","8.3177","0.0011","90","","90","","120","","1021.06","0.16","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0281","0.0268","","","0.0646","0.0652","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208014","11.9175","0.0006","11.9175","0.0006","8.3253","0.0013","90","","90","","120","","1024","0.18","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.024","0.0226","","","0.0573","0.0578","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208015","11.9166","0.0004","11.9166","0.0004","8.3263","0.0004","90","","90","","120","","1023.97","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0268","0.0243","","","0.0592","0.06","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208016","11.9118","0.0004","11.9118","0.0004","8.326","0.0005","90","","90","","120","","1023.11","0.08","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0272","0.0237","","","0.0508","0.052","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209060","13.5842","0.0004","13.5842","0.0004","14.8502","0.0009","90","","90","","120","","2373.18","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H30 Cl2 Cu N8 O5 -","- C28 H30 Cl2 Cu N8 O5 -","- C84 H90 Cl6 Cu3 N24 O15 -","3","0.5","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.0245","0.0237","","","0.0785","0.0799","","","","","","0.685","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7210324","13.8377","0.0003","13.8377","0.0003","20.3849","0.0004","90","","90","","120","","3380.39","0.12","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C46 H40 Cl6 N6 Ni O -","- C46 H40 Cl6 N6 Ni O -","- C138 H120 Cl18 N18 Ni3 O3 -","3","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0727","0.0636","","","0.1679","0.1748","","","","","","1.16","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210802","11.377","0.005","11.377","0.005","25.411","0.005","90","0.005","90","0.005","120","0.005","2848.4","1.9","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C38 H32 Cd Cu2 N10 O4 -","- C38 H32 Cd Cu2 N10 O4 -","- C114 H96 Cd3 Cu6 N30 O12 -","3","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0319","0.0291","","","0.0728","0.0743","","","","","","1.027","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7211993","8.941","0.0005","8.941","0.0004","10.026","0.0004","90","0.001","90","0.001","120","0.005","694.11","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 La N3 O7 -","- C4 H2 La N3 O7 -","- C12 H6 La3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0802","0.0806","","","","","","1.055","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211994","8.888","0.005","8.888","0.008","9.973","0.006","90","0.005","90","0.005","120","0.005","682.3","0.8","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Ce N3 O7 -","- C4 H2 Ce N3 O7 -","- C12 H6 Ce3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0226","0.0224","","","0.0657","0.0658","","","","","","1.071","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211995","8.841","0.004","8.841","0.004","9.922","0.005","90","0.005","90","0.005","120","0.005","671.6","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Pr -","- C4 H2 N3 O7 Pr -","- C12 H6 N9 O21 Pr3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0258","0.0255","","","0.0775","0.0776","","","","","","1.041","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211996","8.805","0.0009","8.805","0.0009","9.883","0.001","90","0.0012","90","0.001","120","0.01","663.56","0.13","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 Nd O7 -","- C4 H6 N3 Nd O7 -","- C12 H18 N9 Nd3 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0224","0.022","","","0.0596","0.0598","","","","","","1.049","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211997","8.712","0.004","8.712","0.004","9.818","0.005","90","0.005","90","0.005","120","0.005","645.3","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Sm -","- C4 H2 N3 O7 Sm -","- C12 H6 N9 O21 Sm3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0229","0.0224","","","0.0607","0.0609","","","","","","1.011","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211998","8.674","0.005","8.674","0.005","9.796","0.006","90","0.007","90","0.007","120","0.006","638.3","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Eu N3 O7 -","- C4 H6 Eu N3 O7 -","- C12 H18 Eu3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0717","0.0719","","","","","","1.052","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211999","8.639","0.007","8.639","0.005","9.772","0.006","90","0.005","90","0.005","120","0.005","631.6","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Gd N3 O7 -","- C4 H6 Gd N3 O7 -","- C12 H18 Gd3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0289","0.0284","","","0.0852","0.0856","","","","","","1.061","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7214810","16.2948","0.0003","16.2948","0.0003","19.3671","0.0006","90","","90","","120","","4453.42","0.18","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C168 H216 Cl12 Fe3 Mn6 N33 O24 -","3","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0662","0.071","","","","","","0.999","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7215392","7.3135","0.0004","7.3135","0.0004","16.4964","0.0019","90","","90","","120","","764.14","0.11","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C30 H24 N12 S3 -","3","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0334","0.0322","","","0.0855","0.0871","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215962","8.85","0.002","8.85","0.002","34.827","0.005","90","","90","","120","","2362.3","0.8","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C20 H36 Cl2 F4 Mg N4 O8 -","- C20 H36 Cl2 F4 Mg N4 O8 -","- C60 H108 Cl6 F12 Mg3 N12 O24 -","3","0.5","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0827","0.0498","","","0.1276","0.147","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7217757","16.04016","0.00012","16.04016","0.00012","17.79763","0.00016","90","","90","","120","","3965.61","0.06","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","bis(cis-(NCsp^3^'-((3-oxy)-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzhydrazonato-dioxo-molybdenum(VI)) (μU~eq~6-oxo)-dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetonitrile solvate (1/2)","","- C17 H17 Mo4 N4 O14.5 -","- C17 H17 Mo4 N4 O14.5 -","- C102 H102 Mo24 N24 O87 -","6","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.02","0.0187","","","0.045","0.0456","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7220058","12.306","0.0006","12.306","0.0006","18.4537","0.0007","90","","90","","120","","2420.18","0.19","295","2","295","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C22 H42 Cl2 Cu N10 O7 -","- C22 H36 Cl1.99 Cu N10 O7 -","- C66 H108 Cl5.97 Cu3 N30 O21 -","3","0.5","","Wojciechowska, Agnieszka; Gągor, Anna; Zierkiewicz, Wiktor; Jarząb, Anna; Dylong, Agnieszka; Duczmal, Marek","Metal-organic framework in L-argininato copper(II) ions polymer - structure, spectroscopic properties, theoretical studies and microbiological activity","RSC Adv.","2015","","","","","10.1039/C5RA02790J","","","0.71073","MoKα","","0.0952","0.0571","","","0.1148","0.1324","","","","","","0.962","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7221831","6.0046","0.0006","6.0046","0.0006","45.98","0.006","90","","90","","120","","1435.7","0.3","293","2","293","2","","","","","","","see text","3","P 32 2 1","P 32 2""","154","","(1R,2R,6R,8S,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^{2,6}.0^{10,14}] tetradecan-4- one","","- C10 H12 O5 -","- C10 H12 O5 -","- C60 H72 O30 -","6","1","","Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan","The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C‒H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran","RSC Adv.","2015","5","87","70899","","10.1039/C5RA13749G","","","1.5418","CuKα","","0.0522","0.042","","","0.0981","0.1058","","","","","","1.063","","","","has coordinates","153540","2020-10-21","18:00:00",""
"7222684","7.1643","","7.1643","","10.101","","90","","90","","120","","448.996","","","","","","","","","","","","","3","P 32 2 1","P 32 2""","154","","Hg (Se O4) (Hg O)2","","- Hg3 O6 Se -","- Hg3 O6 Se -","- Hg9 O18 Se3 -","3","0.5","","Weil, M.","Hydrothermal single crystal growth and crystal structures of the mercury(II) selenates(VI) Hg Se O4, Hg Se O4 * (Hg O) and Hg Se O4 * 2(Hg O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1043","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7226541","18.2348","0.0006","18.2348","0.0006","16.395","0.0004","90","","90","","120","","4721.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H24 Cu2 N4 O -","- C30 H20 Cu2 N4 -","- C180 H120 Cu12 N24 -","6","1","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.0458","0.0409","","","0.1097","0.1129","","","","","","1.059","","","","has coordinates,has disorder","188095","2020-10-21","18:00:00",""
"7228008","10.6445","0.0006","10.6445","0.0006","36.732","0.003","90","","90","","120","","3604.3","0.4","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","[Gd(dipic)3] [Co(sar)(NO2)2] * 12(H2O)","","","- C35 H63 Co Gd N11 O28 -","- C35 H39 Co Gd N11 O28 -","- C105 H117 Co3 Gd3 N33 O84 -","3","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0828","0.0458","","","0.0718","0.0776","","","","","","1.001","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228407","6.4188","0.0019","6.4188","0.0019","16.083","0.01","90","","90","","120","","573.9","0.4","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ba Cu2 Se4 Si -","- Ba Cu2 Se4 Si -","- Ba3 Cu6 Se12 Si3 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.031","0.0264","","","0.0437","0.0449","","","","","","1.008","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228409","6.353","0.003","6.353","0.003","15.788","0.014","90","","90","","120","","551.8","0.6","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ba Cu2 S4 Sn -","- Ba Cu2 S4 Sn -","- Ba3 Cu6 S12 Sn3 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0316","0.0258","","","0.0569","0.0595","","","","","","1.07","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228675","8.659","0.0002","8.659","0.0002","13.705","0.0004","90","","90","","120","","889.91","0.04","200","2","200","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0256","0.0256","","","0.0689","0.0689","","","","","","1.208","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228676","8.6335","0.0001","8.6335","0.0001","13.7402","0.0002","90","","90","","120","","886.947","0.019","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0279","0.0279","","","0.0744","0.0744","","","","","","1.233","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228677","8.7286","0.0001","8.7286","0.0001","13.6174","0.0003","90","","90","","120","","898.49","0.02","300","2","300","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0312","0.031","","","0.0782","0.0784","","","","","","1.195","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228678","8.6948","0.0001","8.6948","0.0001","13.6675","0.0003","90","","90","","120","","894.83","0.02","250","2","250","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0342","0.034","","","0.0851","0.0854","","","","","","1.201","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228961","11.14762","0.00019","11.14762","0.00019","38.1285","0.0006","90","","90","","120","","4103.41","0.12","294.33","0.1","294.33","0.1","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C30 H30 F3 N3 O3 -","- C30 H30 F3 N3 O3 -","- C180 H180 F18 N18 O18 -","6","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0574","0.0547","","","0.1489","0.1516","","","","","","1.107","","","","has coordinates","199896","2020-10-21","18:00:00",""
"7231324","14.014","0.003","14.014","0.003","6.5964","0.0012","90","","90","","120","","1121.9","0.4","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1308","0.0839","","","0.2217","0.2382","","","","","","0.968","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231326","14.3565","0.0005","14.3565","0.0005","6.5749","0.0002","90","","90","","120","","1173.59","0.07","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0528","0.0497","","","0.1347","0.1365","","","","","","1.104","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231327","14.205","0.004","14.205","0.004","6.6233","0.0018","90","","90","","120","","1157.4","0.6","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1262","0.0718","","","0.1622","0.1868","","","","","","0.943","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231334","14.25","0.007","14.25","0.007","6.62","0.007","90","","90","","120","","1164.2","1.5","173","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10.5 H13.5 N0 O1.5 -","- C10.5 H13.5 O1.5 -","- C42 H54 O6 -","4","0.666667","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.2045","0.0835","","","0.2036","0.2461","","","","","","0.838","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7234805","13.2119","0.0009","13.2119","0.0009","19.7637","0.0017","90","","90","","120","","2987.6","0.4","295","2","295","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C15 H20 Cd N4 O4 S -","- C15 H20 Cd N4 O4 S -","- C90 H120 Cd6 N24 O24 S6 -","6","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0847","0.0591","","","0.1514","0.1666","","","","","","1.031","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7236226","13.0588","0.0003","13.0588","0.0003","31.5888","0.0011","90","","90","","120","","4665.2","0.2","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","[Ru(bpy)2(dpa)](BF4)","","- C30 H24 B F4 N7 Ru -","- C30 H24 B F4 N7 Ru -","- C180 H144 B6 F24 N42 Ru6 -","6","1","","Patil, Sagar K.; Ghosh, Rajib; Kennedy, Princy; Mobin, Shaikh M.; Das, Dipanwita","Potential anion sensing properties by a redox and substitution series of [Ru(bpy)3−n(Hdpa)n]2+, n = 1‒3; Hdpa = 2,2′-dipyridylamine: selective recognition and stoichiometric binding with cyanide and fluoride ions","RSC Advances","2016","6","67","62310","","10.1039/C6RA09566F","","","0.71073","MoKα","","0.0982","0.0879","","","0.2427","0.2582","","","","","","1.108","","","","has coordinates","235286","2020-10-21","18:00:00",""
"7237136","8.443","0.002","8.443","0.002","33.962","0.007","90","0.03","90","0.03","120","0.03","2096.6","1","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H5.5 N8.5 O8 -","- C9 H5.5 N8.5 O8 -","- C54 H33 N51 O48 -","6","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","1.54184","CuKα","","0.0502","0.0404","","","0.0805","0.0853","","","","","","1.114","","","","has coordinates","237444","2020-10-21","18:00:00",""
"7239992","9.6026","0.0005","9.6026","0.0005","23.3261","0.0012","90","","90","","120","","1862.73","0.17","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N3 -","- C6 H14 Br3 N3 -","- C36 H84 Br18 N18 -","6","1","","Morita, Hagino; Tsunashima, Ryo; Nishihara, Sadafumi; Akutagawa, Tomoyuki","Doping of Metal-free Molecular Perovskite with Hexamethylenetetramine to Create Non-centrosymmetric Defects","CrystEngComm","2020","","","","","10.1039/D0CE00173B","","","0.71073","MoKα","","0.0617","0.0489","","","0.1164","0.1266","","","","","","1.161","","","","has coordinates,has disorder","248521","2020-10-21","18:00:00",""
"7240412","8.3601","0.0007","8.3601","0.0007","13.3968","0.0012","90","","90","","120","","810.88","0.12","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C42 H30 O6 -","3","0.5","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0313","0.0295","","","0.0685","0.0695","","","","","","1.105","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7241051","20.5369","0.0012","20.5369","0.0012","34.603","0.002","90","","90","","120","","12639","1.3","273","2","273.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C22 H11 N5 O7 Zn2 -","- C22 H11 N5 O7 Zn2 -","- C132 H66 N30 O42 Zn12 -","6","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","1.54178","CuKα","","0.1171","0.0616","","","0.1523","0.1832","","","","","","0.86","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241996","10.9535","0.0015","10.9535","0.0015","22.449","0.005","90","","90","","120","","2332.6","0.7","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C10 H15 N5 Na O8 P -","- C10 H15 N5 Na O8 P -","- C60 H90 N30 Na6 O48 P6 -","6","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0825","0.0547","","","0.1413","0.1582","","","","","","1.005","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7242755","13.033","0.015","13.033","0.015","44.95","0.05","90","","90","","120","","6612","13","100","2","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C37 H43 N7 O18 -","- C37 H43 N7 O18 -","- C222 H258 N42 O108 -","6","1","","O'Reilly, Ciaran; Blasco, Salvador; Parekh, Bina; Collins, Helen; Cooke, Gordon; Gunnlaugsson, Thorfinnur; Byrne, Joseph P.","Ruthenium-centred btp glycoclusters as inhibitors for Pseudomonas aeruginosa biofilm formation","RSC Advances","2021","11","27","16318","16325","10.1039/D0RA05107A","","","1.54178","CuKα","","0.0707","0.0618","","","0.1449","0.1507","","","","","","1.075","","","","has coordinates","264980","2021-05-06","04:04:58",""
"7244188","8.7306","0.0005","8.7306","0.0005","12.5809","0.0008","90","","90","","120","","830.48","0.09","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","1","0.166667","","Chen, Chong-An; Yang, Guo-Yu","Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates","CrystEngComm","2022","","","","","10.1039/D1CE01579F","","","0.71073","MoKα","","0.0341","0.0339","","","0.0973","0.0975","","","","","","1.086","","","","has coordinates","271992","2022-01-11","23:29:48",""
"7245132","9.6556","0.0006","9.6556","0.0006","18.7426","0.0009","90","","90","","120","","1513.28","0.15","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C H7 N10 Na2 O2.5 -","- C H7 N10 Na2 O2.5 -","- C6 H42 N60 Na12 O15 -","6","1","","Xu, Yuangang; Xu, Ze; Zhang, Xiaopeng; Hou, Tianyang; Lu, Ming","[Na4(N5)4(H2O)2]·H2O·2MeOH: a honeycomb-like sodium pentazolate framework with helical chains","CrystEngComm","2022","","","","","10.1039/D2CE00713D","","","0.71073","MoKα","","0.0587","0.0551","","","0.1412","0.1444","","","","","","1.046","","","","has coordinates","276457","2022-06-30","22:35:48",""
"7245647","16.7798","0.0006","16.7798","0.0006","28.3067","0.0012","90","","90","","120","","6902.3","0.5","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C38 H38 Cd N6 O4 -","- C38 H38 Cd N6 O4 -","- C228 H228 Cd6 N36 O24 -","6","1","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.0756","0.0453","","","0.0965","0.1071","","","","","","1.029","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245832","10.04888","0.00013","10.04888","0.00013","24.976","0.0005","90","","90","","120","","2184.18","0.06","90","2","90","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H24 Al2 Cl6 N4 -","- C24 H24 Al2 Cl6 N4 -","- C72 H72 Al6 Cl18 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0336","0.0299","","","0.0742","0.0755","","","","","","1.003","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7246546","8.415","0.001","8.415","0.001","13.689","0.002","90","","90","","120","","839.48","0.19","273","2","273","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C42 H30 O6 -","3","0.5","","Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu","Metal-free, 2-MeTHF mediated C(sp)–H functionalization of alkynes with anilines to access diaryl 1,2-diketones bearing lower E-factors","Green Chemistry","2023","25","8","3034","3039","10.1039/D3GC00267E","","","0.71073","MoKα","","0.1336","0.0494","","","0.1259","0.2289","","","","","","0.771","","","","has coordinates","283361","2023-05-05","02:47:48",""
"7700044","22.4612","0.0009","22.4612","0.0009","11.1324","0.0006","90","","90","","120","","4863.9","0.4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C44 H20 Cu2 N2 O20 -","- C44 H18 Cu2 N2 O20 -","- C132 H54 Cu6 N6 O60 -","3","0.5","","Xu, Ming-Ming; Kong, Xiang-Jing; He, Tao; Wu, Xue-Qian; Xie, Lin-Hua; Li, Jian-Rong","Reaction duration-dependent formation of two Cu(ii)-MOFs with selective adsorption properties of C<sub>3</sub>H<sub>4</sub> over C<sub>3</sub>H<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9225","9233","10.1039/c9dt01677e","","","0.71073","MoKα","","0.1035","0.068","","","0.1622","0.1906","","","","","","1.012","","","","has coordinates","224205","2020-10-21","18:00:00",""
"7705340","15.214","0.0002","15.214","0.0002","19.3663","0.0002","90","","90","","120","","3882.08","0.08","100","0.11","100","0.11","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","1","0.166667","","Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.","Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13430","13439","10.1039/d0dt02583f","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0902","0.0922","","","","","","1.135","","","","has coordinates,has disorder","258865","2020-11-06","12:23:18",""
"7707825","19.1032","0.0014","19.103","","11.8529","0.0009","90","","90","","120","","3746","0.4","120","2","120","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C40 H48 Cd N10 O4 -","- C40 H48 Cd N10 O4 -","- C120 H144 Cd3 N30 O12 -","3","0.5","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","0.71073","MoKα","","0.0554","0.0531","","","0.1766","0.1795","","","","","","1.195","","","","has coordinates","268702","2021-09-06","10:52:26",""
"7708181","16.6556","0.0002","16.6556","0.0002","27.4355","0.0003","90","","90","","120","","6591.19","0.13","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C66.91 H105.82 B8 N8 Na4 O12.73 -","- C66.912 H105.824 B8 N8 Na4 O12.728 -","- C200.736 H317.472 B24 N24 Na12 O38.184 -","3","0.5","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0554","0.0535","","","0.1453","0.1469","","","","","","1.056","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7710248","17.0509","0.0001","17.0509","0.0001","39.5214","0.0004","90","","90","","120","","9950.79","0.13","120","0.1","120","0.1","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H84 Cl9 In N6 -","- C54 H84 Cl9 In N6 -","- C324 H504 Cl54 In6 N36 -","6","1","","Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang","0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00925K","","x-ray","1.54184","CuKα","","0.0385","0.0364","","","0.095","0.0963","","","","","","1.053","","","","has coordinates","275351","2022-05-11","22:57:13",""
"7710670","18.11633","0.0001","18.11633","0.0001","11.42819","0.00006","90","","90","","120","","3248.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H34 K2 N10 O29 V4 -","- C20 H24 K2 N10 O24 V4 -","- C60 H72 K6 N30 O72 V12 -","3","0.5","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0477","0.0472","","","0.1253","0.1259","","","","","","1.04","","","","has coordinates","276501","2022-07-02","22:53:09",""
"7711302","13.7063","0.0004","13.7063","0.0004","22.8201","0.0017","90","","90","","120","","3712.7","0.3","180","2","180.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 Dy N O8 -","- C18 H14 Dy N O8 -","- C108 H84 Dy6 N6 O48 -","6","1","","Zhang, Xiao-Nuan; Chen, Bo-Chen; Zhang, Jia-Li; Zhang, Jialin; Liu, Sui-Jun; Wen, He-Rui","Anionic lanthanide metal-organic frameworks with magnetism, fluorescence, proton conductivity and selective adsorption of cationic dye","Dalton Transactions","2022","","","","","10.1039/D2DT02347D","","","0.71073","MoKα","","0.0346","0.0294","","","0.0683","0.0702","","","","","","1.141","","","","has coordinates","277987","2022-09-19","22:44:25",""
"7712396","13.8662","0.0002","13.8662","0.0002","32.5715","0.0005","90","","90","","120","","5423.55","0.14","100","2","100.15","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C36 H29 Au F5 N3 O3 P S3 -","- C36 H29 Au F5 N3 O3 P S3 -","- C216 H174 Au6 F30 N18 O18 P6 S18 -","6","1","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0413","0.037","","","0.0888","0.0914","","","","","","1.071","","","","has coordinates,has disorder","281138","2023-02-25","08:36:22",""
"7713091","8.5368","0.0004","8.5368","0.0004","17.4591","0.0011","90","","90","","120","","1101.9","0.1","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H22 Cu N4 O3 -","- C12 H22 Cu N4 O3 -","- C36 H66 Cu3 N12 O9 -","3","0.5","","Eerlapally, Raju; Gupta, Sikha; Awasthi, Ayushi; Kumar, Rakesh; Draksharapu, Apparao","Spectroscopic characterization and reactivity of a high valent (L)Cu(III) species supported by proline-based pseudo peptide","Dalton Transactions","2023","","","","","10.1039/D3DT00697B","","x-ray","0.71073","MoKα","","0.0202","0.0196","","","0.0503","0.051","","","","","","1.109","","","","has coordinates","283880","2023-05-18","23:07:36",""
"7713380","9.3636","0.0002","9.3636","0.0002","18.1008","0.0003","90","","90","","120","","1374.4","0.05","120","","120","","","","","","","","","5","P 32 2 1","P 32 2""","154","","[Cu(chxn)2I]I","","- C12 H28 Cu I2 N4 -","- C12 H28 Cu I2 N4 -","- C36 H84 Cu3 I6 N12 -","3","0.5","","Wakizaka, Masanori; Arczyński, Mirosław; Gupta, Shraddha; Takaishi, Shinya; Yamashita, Masahiro","Spin dynamics in a Heisenberg weak antiferromagnetic chain of an iodide-bridged Cu(II) complex","Dalton Transactions","2023","","","","","10.1039/D3DT01840G","","x-ray","0.71073","MoKα","","0.0136","0.0132","","","0.0318","0.032","","","","","","1.06","","","","has coordinates","284792","2023-07-04","23:04:51",""
"7713633","7.1017","0.0002","7.1017","","34.3219","0.0013","90","","90","","120","","1499.09","0.07","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C8 H28 Cl4 N4 O6 Pd2 -","- C8 H28 Cl4 N4 O6 Pd2 -","- C24 H84 Cl12 N12 O18 Pd6 -","3","0.5","","Mian, Mohammad Rasel; Afrin, Unjila; Takaishi, Shinya; Breedlove, Brian. K.; Yamashita, Masahiro; Iguchi, Hiroaki","Hexagonal crystalline Magnus’ green salt analogues prepared from hydroxy-functionalised Pt and Pd complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01700A","","","0.71073","MoKα","","0.0614","0.0549","","","0.1084","0.1129","","","","","","1.318","","","","has coordinates","285417","2023-08-01","23:04:44",""
"7713634","7.0961","0.0005","7.0961","","34.393","0.002","90","","90","","120","","1499.82","0.14","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C8 H28 Cl4 N4 O6 Pt2 -","- C8 H28 Cl4 N4 O6 Pt2 -","- C24 H84 Cl12 N12 O18 Pt6 -","3","0.5","","Mian, Mohammad Rasel; Afrin, Unjila; Takaishi, Shinya; Breedlove, Brian. K.; Yamashita, Masahiro; Iguchi, Hiroaki","Hexagonal crystalline Magnus’ green salt analogues prepared from hydroxy-functionalised Pt and Pd complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01700A","","","0.71073","MoKα","","0.044","0.0418","","","0.0828","0.0834","","","","","","1.336","","","","has coordinates","285417","2023-08-01","23:04:45",""
"7713658","19.8964","0.0005","19.8964","0.0005","8.112","0.0002","90","","90","","120","","2781.04","0.12","100","","100","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H42 B F4 Mn N2 O3 P2 -","- C32 H42 B F4 Mn N2 O3 P2 -","- C96 H126 B3 F12 Mn3 N6 O9 P6 -","3","0.5","","Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02111D","","x-ray","1.54186","CuKα","","0.0393","0.0363","","","0.0842","0.0863","","","","","","1.034","","","","has coordinates","285455","2023-08-04","22:51:42",""
"8000001","14.195","0.0016","14.195","0.0016","31.337","0.003","90","","90","","120","","5468.4","1","296","2","296","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C12 H46 Cd2 Cl8 Co2 N10 O3 S2 -","- C12 H44 Cd2 Cl8.12 Co2 N10 O2.75 S2 -","- C72 H264 Cd12 Cl48.72 Co12 N60 O16.5 S12 -","6","1","","Takashi Aridomi; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno","The First S-Bridged CoIIICdIICoIII and CoIIICdII2CoIII Structures Controlled by Chirality of Mono(thiolato)-Type Cobalt(III) Units","Chemistry Letters","2005","34","3","292","","10.1246/cl.2005.292","","","0.71069","MoKα","","0.0679","0.0384","","","0.1047","0.116","","","","","","1.041","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8101062","7.9268","0.0004","7.9268","0.0004","12.7656","0.0008","90","","90","","120","","694.65","0.07","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","Calcium thiocyanate tetrahydrate","","","- C6 H24 Ca3 N6 O12 S6 -","- C6 H24 Ca3 N6 O12 S6 -","- C6 H24 Ca3 N6 O12 S6 -","1","0.166667","","Held, Peter; Bohatý, Ladislav","Crystal structure of calcium dithiocyanate tetrahydrate, Ca(NCS)~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","337","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"9000004","4.15","","4.15","","9.51","","90","","90","","120","","141.843","","","","","","","","","","","","unknown","2","P 32 2 1","P 32 2""","154","","","Cinnabar","- Hg S -","- Hg S -","- Hg3 S3 -","3","0.5","","Ramsdell, L. S.","The crystal structures of some metallic sulfides","American Mineralogist","1925","10","","281","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000775","4.916","","4.916","","5.4054","","90","","90","","120","","113.131","","","","","","","","100","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Levien, L.; Prewitt, C. T.; Weidner, D. J.","Structure and elastic properties of quartz at pressure P = 1 atm","American Mineralogist","1980","65","","920","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000776","4.8362","","4.8362","","5.3439","","90","","90","","120","","108.242","","","","","","","","2070000","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Levien, L.; Prewitt, C. T.; Weidner, D. J.","Structure and elastic properties of quartz at pressure P = 20.7 kbar","American Mineralogist","1980","65","","920","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000777","4.7736","","4.7736","","5.301","","90","","90","","120","","104.612","","","","","","","","3760000","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Levien, L.; Prewitt, C. T.; Weidner, D. J.","Structure and elastic properties of quartz at pressure P = 37.6 kbar","American Mineralogist","1980","65","","920","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000778","4.739","","4.739","","5.279","","90","","90","","120","","102.673","","","","","","","","4860000","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Levien, L.; Prewitt, C. T.; Weidner, D. J.","Structure and elastic properties of quartz at pressure P = 48.6 kbar","American Mineralogist","1980","65","","920","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000779","4.722","","4.722","","5.267","","90","","90","","120","","101.706","","","","","","","","5580000","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Levien, L.; Prewitt, C. T.; Weidner, D. J.","Structure and elastic properties of quartz at pressure P = 55.8 kbar","American Mineralogist","1980","65","","920","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000780","4.702","","4.702","","5.256","","90","","90","","120","","100.636","","","","","","","","6140000","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Levien, L.; Prewitt, C. T.; Weidner, D. J.","Structure and elastic properties of quartz at pressure P = 61.4 kbar","American Mineralogist","1980","65","","920","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9002382","5.0865","","5.0865","","5.4451","","90","","90","","120","","122.004","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Al0.155 Li0.155 O2 Si0.845 -","- Al0.155 Li0.155 O2 Si0.845 -","- Al0.465 Li0.465 O6 Si2.535 -","3","0.5","","Xu, H.; Heaney, P. J.; Beall, G. H.","Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.69, Li.31Al.31Si1.69O4, alpha quartz structure","American Mineralogist","2000","85","","971","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002383","4.9567","","4.9567","","5.4164","","90","","90","","120","","115.246","","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Al0.05 Li0.05 O2 Si0.95 -","- Al0.05 Li0.05 O2 Si0.95 -","- Al0.15 Li0.15 O6 Si2.85 -","3","0.5","","Xu, H.; Heaney, P. J.; Beall, G. H.","Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.9, Li.1Al.1Si1.9O4, alpha quartz structure","American Mineralogist","2000","85","","971","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9005017","4.9137","","4.9137","","5.4047","","90","","90","","120","","113.011","","","","298","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 298 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005018","4.9209","","4.9209","","5.4091","","90","","90","","120","","113.434","","","","398","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 398 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005019","4.9297","","4.9297","","5.4151","","90","","90","","120","","113.967","","","","498","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 498 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005020","4.9384","","4.9384","","5.4213","","90","","90","","120","","114.5","","","","597","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 597 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005021","4.9509","","4.9509","","5.4285","","90","","90","","120","","115.234","","","","697","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 697 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005022","4.9628","","4.9628","","5.436","","90","","90","","120","","115.948","","","","773","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 773 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005023","4.9728","","4.9728","","5.4425","","90","","90","","120","","116.555","","","","813","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 813 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005024","4.9841","","4.9841","","5.45","","90","","90","","120","","117.247","","","","838","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 838 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006404","4.9438","","4.9438","","10.9498","","90","","90","","120","","231.771","","","","298.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 25 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006405","4.949","","4.949","","10.955","","90","","90","","120","","232.369","","","","365.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 92 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006406","4.958","","4.958","","10.967","","90","","90","","120","","233.47","","","","456.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 183 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006407","4.9688","","4.9688","","10.979","","90","","90","","120","","234.745","","","","548.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 275 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006408","4.9799","","4.9799","","10.992","","90","","90","","120","","236.074","","","","639.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 366 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006409","4.9939","","4.9939","","11.01","","90","","90","","120","","237.792","","","","731.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 458 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006410","5","","5","","11.016","","90","","90","","120","","238.503","","","","759.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 486 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006411","5.0017","","5.0017","","11.019","","90","","90","","120","","238.731","","","","796.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 523 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006412","5.017","","5.017","","11.038","","90","","90","","120","","240.608","","","","841.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 568 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006973","4.757","","4.757","","5.246","","90","","90","","120","","102.808","","","","","","","","","","","","","3","P 32 2 1","","","","","","- N O P -","- N O P -","- N3 O3 P3 -","3","0.5","","Leger, J. M.; Haines, J.; Chateau, C.; Bocquillon, G.; Schmidt, M. W.; Hull, S.; Gorelli, F.; Lesauze, A.; Marchand, R.","Phosphorus oxynitride PON, a silica analogue: structure and compression of the cristobalite-like phase; P-T phase diagram Note: quartz structure type","Physics and Chemistry of Minerals","2001","28","","388","398","10.1007/s002690100161","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007378","4.98","","4.98","","5.46","","90","","90","","120","","117.269","","","","","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Rosa, A. L.; El-Barbary A A; Heggie, M. I.; Briddon, P. R.","Structural and thermodynamic properties of water related defects in alpha-quartz Note: Hypothetical structure derived using density-functional theory","Physics and Chemistry of Minerals","2005","32","","323","331","10.1007/s00269-005-0005-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007477","4.987","","4.987","","5.652","","90","","90","","120","","121.734","","","","","","","","","","","","","2","P 32 2 1","","","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Smith, G. S.; Isaacs, P. B.","The crystal structure of quartz-like GeO2 Note: polymorph of argutite","Acta Crystallographica","1964","17","","842","846","10.1107/S0365110X64002262","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008579","4.35517","","4.35517","","4.94945","","90","","90","","120","","81.301","","","","","","","","","","","","","1","P 32 2 1","P 32 2""","154","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008580","4.44693","","4.44693","","5.91492","","90","","90","","120","","101.298","","","","","","","","","","","","","1","P 32 2 1","P 32 2""","154","Tellurium","","Tellurium","- Se -","- Se -","- Se3 -","3","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9010144","4.923","","4.923","","5.409","","90","","90","","120","","113.529","","","","","","","","","","","","Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.","First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin section","American Mineralogist","2007","92","","57","63","10.2138/am.2007.2228","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010145","4.918","","4.918","","5.407","","90","","90","","120","","113.257","","","","","","","","","","","","Oomine granite, Tenkawa-mura, Nara, Southwest Japan","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.","First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in air","American Mineralogist","2007","92","","57","63","10.2138/am.2007.2228","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010146","4.917","","4.917","","5.41","","90","","90","","120","","113.273","","","","","","","","","","","","Oomine granite, Tenkawa-mura, Nara, Southwest Japan","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.","First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in a thin section","American Mineralogist","2007","92","","57","63","10.2138/am.2007.2228","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9012082","4.145","","4.145","","9.496","","90","","90","","120","","141.293","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","","Cinnabar","- Hg S -","- Hg S -","- Hg3 S3 -","3","0.5","","Auvray, P.; Genet, F.","Affinement de la structure cristalline du cinabre a-HgS","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie","1973","96","","218","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9013321","4.913437","","4.913437","","5.405118","","90","","90","","120","","113.007","","","","","","","","","","","","not specified","2","P 32 2 1","P 32 2""","154","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Antao, S. M.; Hassan, I.; Wang, J.; Lee, P. L.; Toby, B. H.","State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite Locality: not specified","The Canadian Mineralogist","2008","46","","1501","1509","10.3749/canmin.46.5.1501","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014016","4.9113","","4.9113","","5.6099","","90","","90","","120","","117.187","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge3 O6 -","- Ge3 O6 -","","","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 1.69 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014140","4.9097","","4.9097","","5.6249","","90","","90","","120","","117.424","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge3 O6 -","- Ge3 O6 -","","","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 2.9 GPa T = 493 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014264","4.8546","","4.8546","","5.5943","","90","","90","","120","","114.178","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge3 O6 -","- Ge3 O6 -","","","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014327","4.831","","4.831","","5.568","","90","","90","","120","","112.539","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge3 O6 -","- Ge3 O6 -","","","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 4.58 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014401","7.0897","","7.0897","","4.30238","","90","","90","","120","","187.282","","","","","","","","","","","","Synthetic","1","P 32 2 1","P 32 2""","154","","","Sulphur","- S -","- S9 -","- S9 -","","","","Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M.","In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C","Zeitschrift fur Kristallographie","2001","216","","417","419","10.1524/zkri.216.8.417.20360","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014652","4.9858","","4.9858","","5.6473","","90","","90","","120","","121.574","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge3 O6 -","- Ge3 O6 -","","","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 0.0001 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017375","4.44693","","4.44693","","5.91492","","90","","90","","120","","101.298","","","","","","","","","","","","","1","P 32 2 1","P 32 2""","154","","","Tellurium","- Te -","- Te3 -","- Te3 -","","","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017409","7.1239","","7.1239","","25.3203","","90","","90","","120","","1112.85","","","","","","","","","","","","theoretical","3","P 32 2 1","P 32 2""","154","","","Vaterite","- C Ca O3 -","- C18 Ca18 O54 -","- C18 Ca18 O54 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:02",""