# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-16T07:49:03+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'A m a 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000450","9.942","0.002","11.024","0.003","7.147","0.002","90","","90","","90","","783.3","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Trisodium europium tricarbonate","","- C3 Eu Na3 O9 -","- C3 Eu Na3 O9 -","- C12 Eu4 Na12 O36 -","4","0.5","","Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M","Structural and optical investigations of sodium europium carbonate Na3 Eu (C O3)3","Journal of Solid State Chemistry","1997","132","","33","40","10.1006/jssc.1997.7400","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101148","10.68004","0.00011","11.28574","0.00011","6.48521","0.00006","90","","90","","90","","781.68","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 Na O9 -","- B3 Ca4 Na O9 -","- B12 Ca16 Na4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","","","","","","","","","","","","","","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101149","10.63455","0.0001","11.51705","0.00011","6.51942","0.00006","90","","90","","90","","798.49","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K O9 -","- B3 Ca4 K O9 -","- B12 Ca16 K4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.0693","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101150","11.03843","0.00008","11.98974","0.00009","6.88446","0.00005","90","","90","","90","","911.14","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 K O9 Sr4 -","- B3 K O9 Sr4 -","- B12 K4 O36 Sr16 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.057","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1509657","7.7413","","19.024","","5.6935","","90","","90","","90","","838.485","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Ag2 K (Nb Se4)","","- Ag2 K Nb Se4 -","- Ag2 K Nb Se4 -","- Ag8 K4 Nb4 Se16 -","4","0.5","","Guo Guocong; Huang Jinshun; Zhou Guowei; Deng Lei; Dong Zhenchao; Ma Hongwei; Chen Wentong","Syntheses and crystal structures of new quaternary Ag-containing group 5 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta)","Bulletin of the Chemical Society of Japan","2004","77","","505","509","10.1246/bcsj.77.505","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509660","7.8103","","19.004","","5.7303","","90","","90","","90","","850.531","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Ag2 K (Ta Se4)","","- Ag2 K Se4 Ta -","- Ag2 K Se4 Ta -","- Ag8 K4 Se16 Ta4 -","4","0.5","","Ma Hongwei; Chen Wentong; Dong Zhenchao; Huang Jinshun; Deng Lei; Guo Guocong; Zhou Guowei","Syntheses and crystal structures of new quaternary Ag-containing group 5 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta)","Bulletin of the Chemical Society of Japan","2004","77","","505","509","10.1246/bcsj.77.505","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1528472","6.4494","","5.307","","5.2919","","90","","90","","90","","181.126","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","Li B H4","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.5","","Filinchuk, Ya.; Chernyshov, D.; Nevidomskyy, A.; Dmitriev, V.","High-pressure polymorphism as a step towards destabilization of Li B H4","Angew. Chem. Int. ed.","2008","47","","529","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530483","21.1895","","10.577","","9.2494","","90","","90","","90","","2072.99","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Ca4 (Ge3 O10) H2 O","","- Ca4 Ge3 H2 O11 -","- Ca4 Ge3 O11 -","- Ca32 Ge24 O88 -","8","1","","Nevskii, N.N.; Ilyukhin, V.V.; Belov, N.V.; Ivanova, L.I.","Structure of a new calcium triorthogermanate Ca4 (Ge3 O10) H2 O","Doklady Akademii Nauk SSSR","1978","242","","1074","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531545","16.72422","","13.78443","","5.02516","","90","","90","","90","","1158.47","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Cs4 (Al4 Si20 O48)","","- Al4 Cs4 O48 Si20 -","- Al4 Cs4 O48 Si20 -","- Al4 Cs4 O48 Si20 -","1","0.125","","Hughes, R.W.; Weller, M.T.","The structure of the CAS-type zeolite, Cs4 (Al4 Si20 O48) by high-resolution powder neutron diffraction and (29)Si MAS NMR","Microporous and Mesoporous Materials","2002","51","","189","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","157035","2020-10-21","18:00:00",""
"1532758","6.15687","","5.61841","","5.51478","","90","","90","","90","","190.766","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","Li S H","","- H Li S -","- H Li S -","- H4 Li4 S4 -","4","0.5","","Winkler, B.; Hytha, M.; Milman, V.","The low-temperature structure of Li S H","Phase Transition","2003","76","","187","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533057","9.54","","9.85","","3.58","","90","","90","","90","","336.409","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","Al Mn F5","","- Al F5 Mn -","- Al F5 Mn -","- Al4 F20 Mn4 -","4","0.5","","Rimsky, A.; Freundlich, W.; Thoret, J.","Structure cristalline du fluorure ternaire Al Mn F5","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1970","270","","407","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536638","10.284","","10.543","","7.411","","90","","90","","90","","803.532","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","Sr2 (Ge Se4)","","- Ge Se4 Sr2 -","- Ge Se4 Sr2 -","- Ge4 Se16 Sr8 -","4","0.5","","Pocha, R.; Tampier, M.; Poettgen, R.; Mosel, B.D.; Hoffmann, R.D.; Johrendt, D.","Crystal structures and properties of the thiostannates Eu2 Sn S4 and Sr2 Sn S4 and the selenogermanate gamma-(Sr2 Ge Se4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1379","1384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536641","9.977","","10.311","","7.2432","","90","","90","","90","","745.129","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","Sr2 (Sn S4)","","- S4 Sn Sr2 -","- S4 Sn Sr2 -","- S16 Sn4 Sr8 -","4","0.5","","Pocha, R.; Hoffmann, R.D.; Tampier, M.; Mosel, B.D.; Poettgen, R.; Johrendt, D.","Crystal structures and properties of the thiostannates Eu2 Sn S4 and Sr2 Sn S4 and the selenogermanate gamma-(Sr2 Ge Se4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1379","1384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536681","5.086","","10.238","","5.899","","90","","90","","90","","307.164","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","","","- Cs Cu O -","- Cs Cu O -","- Cs4 Cu4 O4 -","4","0.5","","Klassen, H.; Hoppe, R.","Neue Oxocuprate(I): Zur Kenntnis von Cs Cu O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","497","","70","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539748","8.8723","","8.6692","","7.4299","","90","","90","","90","","571.476","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","Cs (B3 H8)","","- B3 Cs H8 -","- B3 Cs H8 -","- B12 Cs4 H32 -","4","0.5","","Deiseroth, H.J.; Binder, H.; Sommer, O.; Wolfer, K.; Frei, B.","Cs B3 H8: Kristallstruktur und Optimierung der Synthese","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","571","","21","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539922","5.743","","8.557","","4.789","","90","","90","","90","","235.345","","","","","","","","","","","","","2","A m a 2","A 2 -2a","40","","","","- Cr O3 -","- Cr O3 -","- Cr4 O12 -","4","0.5","","Bystroem, A.; Wilhelmi, K.A.","The crystal structure of chromium trioxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","1131","1141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540006","22.301","","10.514","","9.669","","90","","90","","90","","2267.12","","","","","","","","","","","","","9","A m a 2","A 2 -2a","40","","Na Mn Ba2 Ce2 (Ti O)2 (Si4 O12)2 F0.7 (O H)0.3 (H2 O)0.7","","- Ba2 Ce2 F0.7 H1.7 Mn Na O27 Si8 Ti2 -","- Ba2 Ce2 F0.7 Mn Na O27 Si8 Ti2 -","- Ba8 Ce8 F2.8 Mn4 Na4 O108 Si32 Ti8 -","4","0.5","","Zubkova, N.V.; Pekov, I.V.; Pushcharovskii, D.Yu.; Giester, G.; Tillmanns, E.; Krotova, O.D.","Crystal structure of byelorussite-(Ce) Na Mn Ba2 Ce2 (Ti O)2 (Si4 O12)2 (F, O H) H2 O","Kristallografiya","2004","49","","1061","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540317","7.662","","18.829","","5.66","","90","","90","","90","","816.556","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Cu2 K (Ta Se4)","","- Cu2 K Se4 Ta -","- Cu2 K Se4 Ta -","- Cu8 K4 Se16 Ta4 -","4","0.5","","Lu Yingjie; Ibers, J.A.","Synthesis and characterization of Cu3 Nb Se4 and K Cu2 Ta Se4. Errata","Journal of Solid State Chemistry","1994","111","","447","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540320","7.645","","18.791","","5.663","","90","","90","","90","","813.531","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cu2 K Nb Se4 -","- Cu2 K Nb Se4 -","- Cu8 K4 Nb4 Se16 -","4","0.5","","Lu, Y.-J.; Ibers, J.A.","Synthesis and characterization of the new quaternary two-dimensional materials K Cu2 Nb Q4 (Q= Se, S)","Journal of Solid State Chemistry","1991","94","","381","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541849","7.5743","","17.45329","","5.6353","","90","","90","","90","","744.967","","","","","","","","","","","","","5","A m a 2","A 2 -2a","40","","Mn (N (C N)2)2 (H2 O)","","- C4 H2 Mn N6 O -","- C4 Mn N6 O -","- C16 Mn4 N24 O4 -","4","0.5","","Jensen, P.; Price, D.J.; Batten, S.R.; Murray, K.S.; Moubaraki, B.","Self-penetration - a structural compromise between single networks and interpenetration: magnetic properties and crystal structures of (Mn (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide, tcm = tricyanomethanide","Chemistry - A European Journal","2000","6","","3186","3195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1549636","7.224","0.0003","24.584","0.0011","11.2382","0.0005","90","","90","","90","","1995.85","0.15","297","2","297","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C18 H22 B10 N -","- C18 H22 B10 N -","- C72 H88 B40 N4 -","4","0.5","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.0542","0.0496","","","0.139","0.1439","","","","","","1.054","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1558643","22.3034","0.0005","19.6726","0.0005","7.40067","0.00018","90","","90","","90","","3247.16","0.14","173","2","173","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.041","0.0355","","","0.0901","0.0936","","","","","","1.067","","","","has coordinates","254450","2020-10-21","18:00:00",""
"1560458","6.4359","0.0002","41.977","0.002","18.1773","0.0008","90","","90","","90","","4910.8","0.4","295","2","295","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C31 H45 Ag3 Cl3 N11 O12 -","- C31 H45 Ag3 Cl3 N11 O12 -","- C124 H180 Ag12 Cl12 N44 O48 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0698","0.0584","","","0.1499","0.1596","","","","","","1.073","","","","has coordinates","262038","2021-02-17","12:36:35",""
"1562914","11.025","0.01","11.977","0.01","6.872","0.006","90","","90","","90","","907.4","1.4","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 K O9 Sr4 -","- B3 K O9 Sr4 -","- B12 K4 O36 Sr16 -","4","0.5","","Zhao, Wenwu; Pan, Shilie; Wang, Yongjiang; Yang, Zhihua; Wang, Xian; Han, Jian","Structure, growth and properties of a novel polar material, KSr4B3O9","Journal of Solid State Chemistry","2012","195","","73","78","10.1016/j.jssc.2012.01.008","","","0.71073","MoKα","","0.0356","0.0307","","","0.0563","0.0578","","","","","","1.019","","","","has coordinates","265545","2021-05-27","08:20:52",""
"1563222","13.317","0.002","10.5909","0.0017","11.8134","0.0019","90","","90","","90","","1666.2","0.5","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C18 H12 Cl Cu2 N4 O2 -","- C18 H12 Cl Cu2 N4 O2 -","- C72 H48 Cl4 Cu8 N16 O8 -","4","0.5","","Shi, Ling; Yang, Ping; Huang, Guang; Li, Qian; Wang, Ning; Wu, Jian-Zhong; Yu, Ying","C‒H⋯Cl relevant discrepancy on structure, magnetic and electronic conductivity of two mixed-valence CuICuII coordination polymers","Journal of Solid State Chemistry","2011","184","7","1699","1706","10.1016/j.jssc.2011.05.016","","","0.71073","MoKα","","0.033","0.0282","","","0.0644","0.0658","","","","","","1.034","","","","has coordinates","266263","2021-06-08","09:25:05",""
"1563552","19.3021","0.0008","15.5803","0.0006","11.3178","0.0006","90","","90","","90","","3403.6","0.3","110","2","110","2","","","","","","","","4","A m a 2","A 2 -2a","40","","'Potassium thorium chromate hydrate'","","- Cr7 K2 O38 Th3 -","- Cr7 K2 O38 Th3 -","- Cr28 K8 O152 Th12 -","4","0.5","","Sigmon, Ginger E.; Burns, Peter C.","Crystal chemistry of thorium nitrates and chromates","Journal of Solid State Chemistry","2010","183","7","1604","1608","10.1016/j.jssc.2010.04.042","","","0.71073","MoKα","","0.0365","0.0334","","","0.0798","0.0805","","","","","","1.042","","","","has coordinates","266530","2021-06-17","09:16:21",""
"1567667","10.2821","0.0007","10.1551","0.0009","6.3699","0.0005","90","","90","","90","","665.12","0.09","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd S4 Si Sr -","- Cd S4 Si Sr -","- Cd4 S16 Si4 Sr4 -","4","0.5","","Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties","Chemical Science","2022","13","36","10725","10733","10.1039/D2SC03760B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0533","0.0594","","","","","","1.204","","","","has coordinates","278050","2022-09-21","22:06:19",""
"1568703","9.8121","0.0007","15.2562","0.0014","4.5459","0.0004","90","","90","","90","","680.5","0.1","296","","296","","","","","","","","","3","A m a 2","A 2 -2a","40","PHTZ","5-phenyl-1H-tetrazole","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","0.5","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0354","0.0297","","","0.0709","0.0732","","","","","","1.049","","","","has coordinates","284983","2023-07-05","11:06:14",""
"2002766","5.4869","0.0008","15.412","0.0008","7.2066","0.0004","90","","90","","90","","609.4","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Barium copper tellurate(IV) tellurate","","- Ba Cu O7 Te2 -","- Ba Cu O7 Te2 -","- Ba4 Cu4 O28 Te8 -","4","0.5","","Sedello, O; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur des Barium-Kupfer-TelluritTellurats Ba Cu (Te O3) (Te O4)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","465","468","","","","","","","0.0376","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006785","9.3307","0.0001","19.372","0.003","3.6982","0.0009","90","","90","","90","","668.47","0.19","193","","193","","","","","","","","","3","A m a 2","A 2 -2a","40","1,2,3-triazole","1H-1,2,3-triazole 2H-1,2,3-triazole cocrystal","","- C4 H6 N6 -","- C4 H6 N6 -","- C16 H24 N24 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0637","0.0588","","0.1681","0.1624","","","","1.14","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009345","7.5803","0.0008","18.4838","0.0012","5.5653","0.0005","90","","90","","90","","779.77","0.12","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Potassiumdicoppervanadiumtetraselenide","Potassiumdicoppervanadiumtetraselenide","","- Cu2 K Se4 V -","- Cu2 K Se4 V -","- Cu8 K4 Se16 V4 -","4","0.5","SK1321","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","KCu~2~VSe~4~","Acta Crystallographica Section C","1999","55","12","1959","1961","10.1107/S0108270199011427","","","0.71073","MoKα","","0.029","0.02","","0.047","0.045","","","","1.036","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2011900","7.382","0.003","18.187","0.011","5.413","0.002","90","","90","","90","","726.7","0.6","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Rubidiumdicoppervanadiumtetrasulfide","Rubidiumdicoppervanadiumtetrasulfide","","- Cu2 Rb S4 V -","- Cu2 Rb S4 V -","- Cu8 Rb4 S16 V4 -","4","0.5","SK1402","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","RbCu~2~VS~4~","Acta Crystallographica Section C","2001","57","4","333","334","10.1107/S0108270100019442","","","0.71073","MoKα","","0.058","0.033","","","","0.078","","","1.039","1.08","1.08","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015445","11.8887","0.0006","12.8303","0.0006","10.2464","0.0004","90","","90","","90","","1562.94","0.12","293","2","293","2","","","","","","","","3","A m a 2","A 2 -2a","40","","dirubidium heptaoxodimolybdate","","- Mo2 O7 Rb2 -","- Mo2 O7 Rb2 -","- Mo16 O56 Rb16 -","8","1","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.0183","0.0178","","","0.0493","0.0494","","","","","","1.152","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017757","18.211","0.0005","23.6861","0.0004","5.8206","0.0001","90","","90","","90","","2510.7","0.09","100","","100","","","","","","","","","5","A m a 2","A 2 -2a","40","","Poly[dimethyldiphenylphosphonium [di-μ~4~-iodido-tetra-μ~3~-iodido-pentacopper(I)]]","","- C14 H16 Cu5 I6 P -","- C14 H16 Cu5 I6 P -","- C56 H64 Cu20 I24 P4 -","4","0.5","MX3031","Jalilian, Ehsan; Lidin, Sven","Poly[dimethyldiphenylphosphonium [di-μ~4~-iodido-tetra-μ~3~-iodido-pentacopper(I)]]","Acta Crystallographica Section C","2010","66","8","m227","m230","10.1107/S0108270110027149","","","0.71069","MoKα","","0.0688","0.0405","","","0.0622","0.0654","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019161","16.6414","0.0008","15.8504","0.0007","10.3779","0.0005","90","","90","","90","","2737.4","0.2","125","2","125","2","","","","","","","","5","A m a 2","A 2 -2a","40","","[Tris(3-<i>tert</i>-butyl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C24 H40 B In N6 -","- C24 H40 B In N6 -","- C96 H160 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0214","0.0191","","","0.0419","0.0429","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2101306","8.458","","9.234","","5.07","","90","","90","","90","","395.973","","","","","","","","","","","","","3","A m a 2","A 2 -2a","","","","","- Al2 O4 Pb -","- Al4 O8 Pb2 -","- Al8 O16 Pb4 -","2","0.25","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101307","8.575","","9.424","","5.22","","90","","90","","90","","421.832","","","","","","","","","","","","","3","A m a 2","A 2 -2a","","","","","- Ga2 O4 Pb -","- Ga4 O8 Pb2 -","- Ga8 O16 Pb4 -","2","0.25","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101311","12.717","","12.206","","7.717","","90","","90","","90","","1197.86","","","","","","","","","","","","","5","A m a 2","A 2 -2a","","","","","- C6 H16 Co N5 O7 -","- C6 H16 Co N5 O7 -","- C24 H64 Co4 N20 O28 -","4","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102431","9.807","","15.232","","4.54","","90","","90","","90","","678.186","","","","","","","","","","","","","3","A m a 2","","40","","","","- C7 H6 N4 -","- C7 H7 N4 -","- C28 H28 N16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2104488","17.743","0.002","14.8424","0.0019","9.6445","0.0012","90","","90","","90","","2539.9","0.5","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","Dimethyl-(P,P,P',P')tetraphenylimidodiphosphinato)gallium(ii)","","- C26 H26 Ga N O2 P2 -","- C26 H26 Ga N O2 P2 -","- C104 H104 Ga4 N4 O8 P8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2108891","12.1054","0.0002","13.5537","0.0002","5.20741","0.00008","90","","90","","90","","854.4","0.02","298","","298","","","","","","","","","4","A m a 2","A 2 -2a","40","glycolaldehyde ammonia","","","- C6 H12 N3 O3 -","- C6 H12 N3 O3 -","- C24 H48 N12 O12 -","4","0.5","","Gallo, Gianpiero; Terban, Maxwell W.; Moudrakovski, Igor; Huber, Tatjana; Etter, Martin; Ernst, Martin; Hinrichsen, Bernd; Dinnebier, Robert E.","A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function","Acta Crystallographica Section B","2021","77","6","986","995","10.1107/S2052520621010088","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.053","","","","","","","","","has coordinates","271660","2022-01-01","04:07:53",""
"2201293","7.4699","0.0019","14.379","0.002","12.5687","0.001","90","","90","","90","","1350","0.4","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C9 H14 Cl3 Hg N -","- C9 H14 Cl3 Hg N -","- C36 H56 Cl12 Hg4 N4 -","4","0.5","BT6181","Nockemann, Peter; Meyer, Gerd","Trimethylphenylammonium trichloromercurate(II), (Me~3~PhN)[HgCl~3~]","Acta Crystallographica Section E","2002","58","10","m527","m528","10.1107/S1600536802015325","","","0.71073","MoKα","","0.0282","0.0232","","","0.0565","0.0577","","","","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208896","22.3226","0.0017","16.5842","0.0013","7.2972","0.0006","90","","90","","90","","2701.4","0.4","298","2","298","2","","","","","","","","6","A m a 2","A 2 -2a","40","[PPh~4~][Fe(CH~3~CN)Br~3~]","Tetraphenylphosphonium acetonitriletribromoferrate(II)","","- C26 H23 Br3 Fe N P -","- C26 H23 Br3 Fe N P -","- C104 H92 Br12 Fe4 N4 P4 -","4","0.5","HB2039","Garagorri-Benito, David; Kirchner, Karl; Mereiter, Kurt","Tetraphenylphosphonium acetonitriletribromoferrate(II)","Acta Crystallographica Section E","2006","62","5","m1136","m1138","10.1107/S1600536806014504","","","0.71073","MoKα","","0.0613","0.0458","","","0.1144","0.124","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2211896","16.429","0.002","16.035","0.002","10.6255","0.0014","90","","90","","90","","2799.2","0.6","193","2","","","","","","","","","","6","A m a 2","A 2 -2a","40","","Chloro[hydridotris(3-tert-butyl-5-methylpyrazolyl)borato]cobalt(II)","","- C24 H40 B Cl Co N6 -","- C24 H40 B Cl Co N6 -","- C96 H160 B4 Cl4 Co4 N24 -","4","0.5","NG2128","Gregory M. Ferrence; Adam D. Beitelman","Chloro[hydridotris(3-<i>tert</i>-butyl-5-methylpyrazolyl)borato]cobalt(II)","Acta Crystallographica Section E","2007","63","1","m153","m155","10.1107/S1600536806048914","","","0.71073","MoKα","","","0.0303","","","","0.07","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2226794","15.6156","0.0012","22.6489","0.0016","8.6626","0.0005","90","","90","","90","","3063.8","0.4","170","2","170","2","","","","","","","","6","A m a 2","A 2 -2a","40","","<i>catena</i>-Poly[[μ~3~-hydroxido-tetra-μ~2~-pyridazine- 1:2κ^4^<i>N</i>:<i>N</i>';1:3κ^2^<i>N</i>:<i>N</i>'; 2:3κ^2^<i>N</i>:<i>N</i>'-tetrakis(selenocyanato)- 1κ<i>N</i>,2κ<i>N</i>,3κ^2^<i>N</i>- trizinc(II)]-μ-cyanido-1:2'κ^2^<i>C</i>:<i>N</i>]","","- C21 H17 N13 O Se4 Zn3 -","- C21 H17 N13 O Se4 Zn3 -","- C84 H68 N52 O4 Se16 Zn12 -","4","0.5","BT5302","Reinert, Thorben; Boeckmann, Jan; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[μ~3~-hydroxido-tetra-μ~2~-pyridazine-1:2κ^4^<i>N</i>:<i>N</i>';1:3κ^2^<i>N</i>:<i>N</i>';2:3κ^2^<i>N</i>:<i>N</i>'-tetrakis(selenocyanato)-1κ<i>N</i>,2κ<i>N</i>,3κ^2^<i>N</i>-trizinc(II)]-μ-cyanido-1:2'κ^2^<i>C</i>:<i>N</i>]","Acta Crystallographica Section E","2010","66","8","m1018","m1019","10.1107/S1600536810029107","","","0.71073","MoKα","","0.0258","0.0239","","","0.0572","0.0581","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2233005","10.074","0.0015","18.151","0.004","4.1562","0.001","90","","90","","90","","760","0.3","298","2","298","2","","","","","","","","3","A m a 2","A 2 -2a","40","","2-Phenyl-1<i>H</i>-imidazole","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","0.5","XU5367","Mehdizadeh Barforoush, Maryam; Naderi, Soheila; Ghanbarpour, Ali Reza; Azhdari Tehrani, Alireza; Khavasi, Hamid Reza","2-Phenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","12","o3248","","10.1107/S160053681104699X","","","0.71073","MoKα","","0.1423","0.0562","","","","0.0945","","","","","","0.979","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2300524","13.52","","8.673","","4.74","","90","","90","","90","","555.807","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Sn2 P O4 Cl","","- Cl O4 P Sn2 -","- Cl O4 P Sn2 -","- Cl4 O16 P4 Sn8 -","4","0.5","","Berndt, A.F.; Sylvester, J.M.","Crystal data on tin(II) phosphate chloride, Sn2 P O4 Cl","Journal of Applied Crystallography","1972","5","","248","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310212","5.6","","9.68","","4.12","","90","","90","","90","","223.337","","","","","","","","","","","","","2","A m a 2","A 2 -2a","40","","","","- Pt2 U -","- Pt2 U -","- Pt8 U4 -","4","0.5","","Hatt, B.A.; Williams, G.I.","The crystal structure of U Pt2","Acta Crystallographica (1,1948-23,1967)","1959","12","","655","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"3000000","8.4721","0.0005","7.1575","0.0007","4.1265","0.0004","90","","90","","90","","250.23","0.04","293","","","","","","","","","","Synthetic","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Armel Le Bail; Salim Ouhenia; Daniel Chateigner","Microtwinning hypothesis for a more ordered vaterite model","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","powder diffraction","","","X-ray","","","","","","","","","5.2218","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"3000016","11.128","0.01","12.155","0.015","6.952","0.007","90","","90","","90","","940.3","1.7","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","","","","","- B3 O9 Rb Sr4 -","","","","","","xiamingjun; Li; R.K.","Crystal structure and Optical Properties of a Noncentrosymmetric Borate RbSr4(BO3)3","To be published in J.Solid State Chem","","","","","","","","","0.71073","MoKα","","0.0669","0.0632","","","0.1465","0.1497","","","","","","1.092","","","","","176718","2020-10-21","18:00:00","2012-10-18"
"4000415","7.4368","0.0013","21.845","0.004","7.2227","0.0013","90","","90","","90","","1173.4","0.4","273","2","273","2","","","","","","","","5","A m a 2","A 2 -2a","40","guandinium ethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0254","0.0248","","","0.0644","0.0647","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000567","11.1215","0.0013","11.2373","0.0013","6.7531","0.0008","90","","90","","90","","843.97","0.17","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Cu2 Se4 Sn -","- Ba Cu2 Se4 Sn -","- Ba4 Cu8 Se16 Sn4 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4002951","10.8375","0.0007","10.7456","0.0006","6.6377","0.0004","90","","90","","90","","773","0.08","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ge Hg Se4 Sr -","- Ge Hg Se4 Sr -","- Ge4 Hg4 Se16 Sr4 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0456","0.0451","","","0.1113","0.1116","","","","","","1.131","","","","has coordinates","220375","2020-10-21","18:00:00",""
"4002952","11.255","0.002","11.033","0.002","6.6847","0.0013","90","","90","","90","","830.1","0.3","153","2","153","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Ge Hg Se4 -","- Ba Ge Hg Se4 -","- Ba4 Ge4 Hg4 Se16 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0441","0.0393","","","0.0955","0.0967","","","","","","1.116","","","","has coordinates","220376","2020-10-21","18:00:00",""
"4030897","7.451","0.001","18.416","0.004","5.542","0.001","90","","90","","90","","760.5","0.2","","","293","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cu2 Na Nb S4 -","- Cu2 Na Nb S4 -","- Cu8 Na4 Nb4 S16 -","4","0.5","","Rumpf, C.; Nather, C.; Jeb, I.; Bensch, W.","Synthesis, crystal structure and optical absorptions of the two-dimensional sulfide NaCu2NbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1165","1177","","","x-ray","0.71073","MoKα","","","0.0289","","","0.0747","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030898","7.406","0.002","18.313","0.004","5.522","0.002","90","","90","","90","","748.9","0.4","","","150","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cu2 Na Nb S4 -","- Cu2 Na Nb S4 -","- Cu8 Na4 Nb4 S16 -","4","0.5","","Rumpf, C.; Nather, C.; Jeb, I.; Bensch, W.","Synthesis, crystal structure and optical absorptions of the two-dimensional sulfide NaCu2NbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1165","1177","","","x-ray","0.71073","MoKα","","","0.0347","","","0.0889","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4038230","27.2818","0.0014","14.841","0.0008","6.2806","0.0003","90","","90","","90","","2542.9","0.2","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C26 H28 N4 O4 S2 -","- C26 H28 N4 O4 S2 -","- C104 H112 N16 O16 S8 -","4","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0495","0.0445","","","0.095","0.097","","","","","","1.008","","","","has coordinates,has disorder","251472","2020-10-21","18:00:00",""
"4065515","20.707","0.0007","13.316","0.0003","13.837","0.0003","90","","90","","90","","3815.34","0.18","133","2","133","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C28 H41 Br4 Fe2 N11 -","- C28 H41 Br4 Fe2 N11 -","- C112 H164 Br16 Fe8 N44 -","4","0.5","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0326","0.0312","","","0.0762","0.0769","","","","","","1.059","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4066832","15.253","0.002","11.484","0.0015","11.8579","0.0015","90","","90","","90","","2077.1","0.5","296","2","296","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C8 H27 B10 Br Ni P2 -","- C8 H27 B10 Br Ni P2 -","- C32 H108 B40 Br4 Ni4 P8 -","4","0.5","","Qiu, Zaozao; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 10 Metal−Carboryne Complexes","Organometallics","2010","29","20","4541","","10.1021/om100669x","","","0.71073","MoKα","","0.0661","0.0545","","","0.149","0.1575","","","","","","1.144","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4071221","28.738","0.006","16.791","0.006","9.5167","0.0019","90","","90","","90","","4592","2","100","2","100","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C32 H64 Si8 Zr -","- C32 H64 Si8 Zr -","- C128 H256 Si32 Zr4 -","4","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1434","0.1347","","","0.2873","0.2927","","","","","","1.195","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4078101","14.8891","0.0005","18.0127","0.0005","9.6036","0.0003","90","","90","","90","","2575.62","0.14","223","2","223","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C22 H46 Al N Si -","- C22 H46 Al N Si -","- C88 H184 Al4 N4 Si4 -","4","0.5","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","0.71073","MoKα","","0.0616","0.0543","","","0.1285","0.1371","","","","","","1.068","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4089612","7.6044","0.0009","12.0731","0.0007","14.8012","0.0005","90","","90","","90","","1358.88","0.18","150","2","150","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C12 H8 O7 W -","- C12 H8 O7 W -","- C48 H32 O28 W4 -","4","0.5","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71073","MoKα","","0.0286","0.025","","","0.0581","0.0592","","","","","","1.13","","","","has coordinates","243702","2020-10-21","18:00:00",""
"4100299","9.2374","0.001","18.966","0.002","4.6027","0.0005","90","","90","","90","","806.37","0.15","243","2","243","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C8 H9 N O S -","- C8 H9 N O S -","- C32 H36 N4 O4 S4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4121641","11.764","0.008","12.025","0.008","8.446","0.006","90","","90","","90","","1194.8","1.4","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Br2 Cd I2 Rb2 -","- Br2 Cd I2 Rb2 -","- Br8 Cd4 I8 Rb8 -","4","0.5","","Wu, Qi; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Rb2CdBr2I2: A New IR Nonlinear Optical Material with a Large Laser Damage Threshold.","Journal of the American Chemical Society","2014","136","15","5683","","10.1021/ja412405u","","","0.71073","MoKα","","0.0614","0.0557","","","0.176","0.1819","","","","","","1.103","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4122386","6.8074","0.0006","21.719","0.002","7.9131","0.0007","90","","90","","90","","1169.95","0.18","200","2","200","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Hsu, Yen-Hao; Chen, Yi-An; Tseng, Huan-Wei; Zhang, Zhiyun; Shen, Jiun-Yi; Chuang, Wei-Ti; Lin, Tzu-Chieh; Lee, Chun-Shu; Hung, Wen-Yi; Hong, Bor-Cherng; Liu, Shih-Hung; Chou, Pi-Tai","Locked ortho- and para-Core Chromophores of Green Fluorescent Protein; Dramatic Emission Enhancement via Structural Constraint.","Journal of the American Chemical Society","2014","136","33","11805","11812","10.1021/ja5062856","","","0.71073","MoKα","","0.0419","0.0376","","","0.0908","0.0934","","","","","","1.058","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4301658","13.7194","0.0015","18.513","0.002","9.5476","0.001","90","","90","","90","","2425","0.5","150","2","150","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C25 H28 Cl F3 N3 P -","- C25 H28 Cl F3 N3 P -","- C100 H112 Cl4 F12 N12 P4 -","4","0.5","","Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith","Intramolecular Hydrogen-Bonded Tertiary Phosphines as 1,3,5-Triaza-7-phosphaadamantane (PTA) Analogues","Inorganic Chemistry","2009","48","","2633","2638","10.1021/ic801709z","","","0.71073","MoKα","","0.0551","0.0546","","","0.1278","0.1281","","","","","","1.257","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4316187","7.1241","0.0014","10.771","0.002","14.024","0.003","90","","90","","90","","1076.1","0.4","273","2","273","2","","","","","","","","4","A m a 2","A 2 -2a","40","Silver Uranyl Germanate","","","- Ag Ge2 O12 U2 -","- Ag Ge2 O12 U2 -","- Ag4 Ge8 O48 U8 -","4","0.5","","Jie Ling; Jessica M. Morrison; Matthew Ward; Kelsey Poinsatte-Jones; Peter C. Burns","Syntheses, Structures, and Characterization of Open-Framework Uranyl Germanates","Inorganic Chemistry","2010","49","","7123","7128","10.1021/ic1010242","","","0.71073","MoKα","","0.0299","0.026","","","0.0483","0.0495","","","","","","1.033","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4320828","10.5592","0.0009","10.415","0.0011","6.4924","0.0007","90","","90","","90","","714","0.12","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Eu Li P Se4 -","- Eu Li P Se4 -","- Eu4 Li4 P4 Se16 -","4","0.5","","Jennifer A. Aitken; Konstantinos Chondroudis; Victor G. Young,; Mercouri G. Kanatzidis","LiEuPSe4 and KEuPSe4: Novel Selenophosphates with the Tetrahedral [PSe4]3- Building Block","Inorganic Chemistry","2000","39","","1525","1533","10.1021/ic991090f","","","0.71073","MoKα","","0.051","0.0503","","0.125","0.1245","","","","1.068","1.082","1.082","","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4322126","8.7246","0.0004","9.786","0.0003","11.1103","0.0004","90","","90","","90","","948.59","0.06","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- H6 Hg I3 N O -","- Hg I3 N O -","- Hg4 I12 N4 O4 -","4","0.5","","Per H. Svensson; Lars Kloo","Metal Iodides in Polyiodide Networks: Synthesis and Structure of Binary Metal Iodide-Iodine Compounds Stable under Ambient Conditions","Inorganic Chemistry","1999","38","","3390","3393","10.1021/ic981348m","","","0.71073","MoKα","","0.043","0.0397","","0.0914","0.0902","","","","1.087","1.114","1.114","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4328447","5.558","0.002","15.215","0.006","7.307","0.003","90","","90","","90","","617.9","0.4","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Mg O7 Te2 -","- Ba Mg O7 Te2 -","- Ba4 Mg4 O28 Te8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure-Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)","Inorganic Chemistry","2012","51","","2662","2668","10.1021/ic202602q","","","0.71073","MoKα","","0.0183","0.0183","","","0.0483","0.0483","","","","","","1.195","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328448","5.5498","0.0004","15.3161","0.0011","7.3098","0.0005","90","","90","","90","","621.34","0.08","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba O7 Te2 Zn -","- Ba O7 Te2 Zn -","- Ba4 O28 Te8 Zn4 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure-Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)","Inorganic Chemistry","2012","51","","2662","2668","10.1021/ic202602q","","","0.71073","MoKα","","0.0165","0.0163","","","0.0457","0.0459","","","","","","1.161","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328830","9.9985","0.0018","9.962","0.0017","6.7637","0.0012","90","","90","","90","","673.7","0.2","100","","100","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- As Eu Na S4 -","- As Eu Na S4 -","- As4 Eu4 Na4 S16 -","4","0.5","","Tarun K. Bera; Mercouri G. Kanatzidis","Na2EuAs2S5, NaEuAsS4, and Na4Eu(AsS4)2: Controlling the Valency of Arsenic in Polysulfide Fluxes","Inorganic Chemistry","2012","51","","4293","4299","10.1021/ic202781c","","","0.71073","MoKα","","0.0467","0.0376","","","0.0638","0.0661","","","","","","1.077","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4330245","33.611","0.003","13.8679","0.0014","13.7856","0.0014","90","","90","","90","","6425.7","1.1","296","2","296","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C64 H64 Mn3 N8 O12 -","- C64 H64 Mn3 N8 O12 -","- C256 H256 Mn12 N32 O48 -","4","0.5","","Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du","MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties","Inorganic Chemistry","2012","51","","9431","9442","10.1021/ic3012537","","","0.71073","MoKα","","0.0534","0.0395","","","0.0868","0.0938","","","","","","1.011","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4335929","37.82959","","15.24373","","12.83659","","90","","90","","90","","7402.4","","","","","","","","","","","","","5","A m a 2","A 2 -2a","40","","","|(C15N2H32)(NH4)|[Ge11 O21.5(OH)4]","- C15 H40 Ge11 N3 O25.5 -","- C19.293 H4 Ge11 N4.046 O25.5 -","- C154.344 H32 Ge88 N32.368 O204 -","8","1","","Yan Xu; Leifeng Liu; Daniel M. Chevrier; Junliang Sun; Peng Zhang; Jihong Yu","Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm","Inorganic Chemistry","2013","52","","10238","10244","10.1021/ic302705f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341857","14.777","0.003","23.926","0.005","5.5533","0.0011","90","","90","","90","","1963.4","0.7","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- Ba3 Eu3 Na O20 Si6 -","- Ba3 Eu3 Na O20 Si6 -","- Ba12 Eu12 Na4 O80 Si24 -","4","0.5","","Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.","Inorganic chemistry","2015","54","3","905","913","10.1021/ic502279n","","","0.71073","MoKα","","0.0298","0.0285","","","0.0613","0.0618","","","","","","1.135","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4344008","21.2775","0.0017","13.6296","0.0011","4.4283","0.0004","90","","90","","90","","1284.22","0.19","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B7 Cs2 Li5 O14 -","- B7 Cs2 Li5 O14 -","- B28 Cs8 Li20 O56 -","4","0.5","","Li, Lin; Han, Shujuan; Lei, Binghua; Dong, Xiaoyu; Wu, Hongping; Zhou, Zhongxiang; Yang, Zhihua; Pan, Shilie","Two New Crystals in LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10.","Inorganic chemistry","2015","54","15","7381","7387","10.1021/acs.inorgchem.5b00926","","","0.71073","MoKα","","0.0219","0.0192","","","0.0429","0.0443","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4349009","10.0371","0.0004","26.6752","0.0013","5.9349","0.0003","90","","90","","90","","1589.02","0.13","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C2 H7 N O0 S8 Sb4 -","- C2 H7 N S8 Sb4 -","- C8 H28 N4 S32 Sb16 -","4","0.5","","Nie, Lina; Zhang, Yu; Xiong, Wei-Wei; Lim, Teik-Thye; Xu, Rong; Yan, Qingyu; Zhang, Qichun","A surfactant-thermal method to prepare crystalline thioantimonate for high-performance lithium-ion batteries","Inorganic Chemistry Frontiers","2016","3","1","111","","10.1039/C5QI00194C","","","0.71073","MoKα","","0.0519","0.0505","","","0.1554","0.157","","","","","","1.096","","","","has coordinates","233540","2020-10-21","18:00:00",""
"4504445","7.3433","0.0013","8.5921","0.0015","12.889","0.002","90","","90","","90","","813.2","0.2","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C6 H4 Cu2 N2 S2 -","- C6 H4 Cu2 N2 S2 -","- C24 H16 Cu8 N8 S8 -","4","0.5","","Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang","Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions","Crystal Growth & Design","2007","7","11","2352","","10.1021/cg070622x","","","0.71073","MoKα","","0.0206","0.0204","","","0.0483","0.0484","","","","","","1.096","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4507351","12.8977","0.0007","8.1974","0.0003","11.2059","0.0004","90","","90","","90","","1184.77","0.09","291","2","291","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C11 H6 Br N2 O5 Zn -","- C11 H6 Br N2 O5 Zn -","- C44 H24 Br4 N8 O20 Zn4 -","4","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0328","0.0297","","","0.0787","0.084","","","","","","0.626","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4512830","9.9264","0.0008","16.0761","0.0014","3.8161","0.0004","90","","90","","90","","608.96","0.1","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","trichloroimidazole","2,4,5-trichloro-1H-imidazole","","- C3 H Cl3 N2 -","- C3 H Cl3 N2 -","- C12 H4 Cl12 N8 -","4","0.5","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.0393","0.0276","","","0.0495","0.0514","","","","","","1.067","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512831","10.1305","0.0005","16.7094","0.001","4.0483","0.0002","90","","90","","90","","685.27","0.06","296","0.1","296","0.1","","","","","","","","4","A m a 2","A 2 -2a","40","tribromoimidazole","2,4,5-tribromo-1H-imidazole","","- C3 H Br3 N2 -","- C3 H Br3 N2 -","- C12 H4 Br12 N8 -","4","0.5","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.0825","0.0401","","","0.0417","0.047","","","","","","1.001","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4513025","13.8342","0.0004","22.8608","0.0005","7.8578","0.0002","90","","90","","90","","2485.11","0.11","140","2","140","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C26 H33 N O6 -","- C26 H33 N O6 -","- C104 H132 N4 O24 -","4","0.5","","Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan","Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine","Crystal Growth & Design","2015","15","6","2817","","10.1021/acs.cgd.5b00251","","","0.71073","MoKα","","0.0552","0.0413","","","0.0908","0.0988","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7001144","6.579","0.003","27.779","0.007","8.637","0.004","90","","90","","90","","1578.5","1.1","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C12 H16 Ag Cl2 N5 O3 S -","- C12 H15 Ag Cl2 N5 O3 S -","- C48 H60 Ag4 Cl8 N20 O12 S4 -","4","0.5","","Wu, Hua; Dong, Xian-Wu; Ma, Jian-Fang; Liu, Hai-Yan; Yang, Jin; Bai, Hong-Ye","Influence of anionic sulfonate-containing and nitrogen-containing mixed-ligands on the structures of silver coordination polymers","Dalton Transactions","2009","","17","3162","3174","10.1039/b814942a","","","0.71069","MoKα","","0.0224","0.0208","","","0.0487","0.0646","","","","","","1.278","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004030","7.266","0.0002","26.3894","0.0006","7.3267","0.0002","90","","90","","90","","1404.86","0.06","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C3 H6 Cl2.5 N1.5 Re0.5 -","- C3 H6 Cl2.5 N1.5 Re0.5 -","- C24 H48 Cl20 N12 Re4 -","8","1","","Martínez-Lillo, José; Armentano, Donatella; Marino, Nadia; Arizaga, Livia; Chiozzone, Raúl; González, Ricardo; Kremer, Carlos; Cano, Joan; Faus, Juan","Pentachloro(pyrazine)rhenate(iv) complex as precursor of heterobimetallic pyrazine-containing ReIV2MII (M = Ni, Cu) species: synthesis, crystal structures and magnetic properties","Dalton Transactions","2008","","34","4585","","10.1039/b802112k","","","0.71073","MoKα","","0.0152","0.0143","","","0.0353","0.0553","","","","","","1.232","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005391","11.1115","0.0006","14.8951","0.0008","17.5202","0.0009","90","","90","","90","","2899.7","0.3","173","2","173","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C8 H23 B9 I8 N2 -","- C8 H23 B9 I8 N2 -","- C32 H92 B36 I32 N8 -","4","0.5","","Teixidor, Francesc; Barberà, Gemma; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara","""Water-stable boron-iodinated dicarbollide dianions [7,8-nido-C2H2B9I9]2- and [7,8-nido-C2H2B9I8H]2-"".","Dalton transactions (Cambridge, England : 2003)","2007","","17","1668","1670","10.1039/b701787a","","x-ray","0.71073","Mokα","","0.0562","0.0407","","","0.0855","0.0923","","","","","","1.04","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7006802","19.457","0.001","22.581","0.001","11.069","0.001","90","","90","","90","","4863.3","0.5","100","2","100","2","","","","","","","","8","A m a 2","A 2 -2a","40","","","","- C H29 K6 N3 Na O50.5 Si W11 -","- C H6 K6 N3 Na O50.46 Si W11 -","- C4 H24 K24 N12 Na4 O201.84 Si4 W44 -","4","0.5","","Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji","Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1213","1217","10.1039/b514169a","","","0.3282","synchrotron","","0.0274","0.0255","","","0.0622","0.0633","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009662","15.841","0.002","9.3342","0.0011","9.363","0.002","90","","90","","90","","1384.4","0.4","150","2","150","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 H9 I5 S -","- C3 I5 S -","- C12 I20 S4 -","4","0.5","","Svensson, Per H.; Kloo, Lars","A vibrational spectroscopic, structural and quantum chemical study of the triiodide ion","Dalton (2000)","2000","","14","2449","2455","10.1039/b002492i","","","0.71073","MoKα","","0.0464","0.0455","","0.1168","0.116","","","","1.202","1.2","1.2","","","","","has coordinates","180541","2020-10-21","18:00:00",""
"7027115","17.289","0.016","15.201","0.002","6.6459","0.0006","90","","90","","90","","1746.6","1.6","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C11 H23 B F4 Mo O P2 -","- C11 H23 B F4 Mo O P2 -","- C44 H92 B4 F16 Mo4 O4 P8 -","4","0.5","","Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo; Quadrelli, E. Alessandra","Formation of organometallic hydroxo and oxo complexes by oxidation of transition metal hydrides in the presence of water. X-Ray structures of [CpMo(OH)(PMe3)3][BF4] and [CpMo(O)(PMe3)2][BF4]","Journal of the Chemical Society, Dalton Transactions","1999","","3","497","","10.1039/a807111j","","","0.71073","MoKα","","0.0782","0.0391","","0.0801","0.0715","","","","1.068","1.128","1.128","","","","","has coordinates,has disorder","179977","2020-10-21","18:00:00",""
"7029055","15.1635","0.0004","17.9739","0.0004","10.0176","0.0003","90","","90","","90","","2730.27","0.12","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C8 H15 N9 O Zn -","- C8 H10.5 N9 O Zn -","- C64 H84 N72 O8 Zn8 -","8","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.039","0.0339","","","0.089","0.0918","","","","","","1.213","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029056","15.6799","0.0014","18.1616","0.0012","9.6615","0.0009","90","","90","","90","","2751.3","0.4","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C5 H10 N8 O Zn -","- C4 H5.5 N8 Zn -","- C32 H44 N64 Zn8 -","8","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.0718","0.0564","","","0.144","0.1516","","","","","","0.97","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7034649","24.1438","0.0005","17.6734","0.0003","10.6296","0.0002","90","","90","","90","","4535.68","0.15","200","2","200","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C37 H58 Cl4 Co2 N8 O13 -","- C37 H58 Cl4 Co2 N8 O13 -","- C148 H232 Cl16 Co8 N32 O52 -","4","0.5","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.0619","0.0563","","","0.1602","0.1666","","","","","","0.886","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034650","24.3318","0.0007","17.6327","0.0005","10.6002","0.0003","90","","90","","90","","4547.9","0.2","200","2","200","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C37 H58 Br Cl3 Co2 N8 O13 -","- C37 H58 Br Cl3 Co2 N8 O13 -","- C148 H232 Br4 Cl12 Co8 N32 O52 -","4","0.5","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.0687","0.0585","","","0.1639","0.1753","","","","","","0.957","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7039820","22.232","0.009","17.933","0.007","6.225","0.002","90","","90","","90","","2481.8","1.6","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ga6 Pb5 S15 Zn -","- Ga6 Pb5 S15 Zn -","- Ga24 Pb20 S60 Zn4 -","4","0.5","","Duan, Rui-Huan; Yu, Ju-Song; Lin, Hua; Zheng, Yu-Jun; Zhao, Hua-Jun; Huang-Fu, Shang-Xiong; Khan, Muhammad Ali; Chen, Ling; Wu, Li-Ming","Pb5Ga6ZnS15: a noncentrosymmetric framework with chains of T2-supertetrahedra.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12288","12291","10.1039/c6dt02404a","","","0.71073","MoKα","","0.0583","0.0483","","","0.1002","0.1184","","","","","","0.722","","","","has coordinates","185462","2020-10-21","18:00:00",""
"7040604","32.347","0.007","6.4311","0.0013","11.143","0.003","90","","90","","90","","2318","0.9","100","2","100","2","","","","","","","N/A","4","A m a 2","A 2 -2a","40","Potassium uranyl borate hydrate","Potassium uranyl borate hydrate","","- B6 K O13 U -","- B6 K O13 U -","- B48 K8 O104 U8 -","8","1","","Xu, Xiaomei; Liu, Zhiyong; Yang, Shitong; Chen, Lanhua; Diwu, Juan; Alekseev, Evgeny V.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Potassium uranyl borate 3D framework compound resulted from temperature directed hydroborate condensation: structure, spectroscopy, and dissolution studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15464","15472","10.1039/c6dt03299k","","","0.71073","MoKα","","0.0469","0.038","","","0.088","0.0908","","","","","","1.108","","","","has coordinates","188127","2020-10-21","18:00:00",""
"7048380","25.6757","0.0006","21.3064","0.0006","11.7797","0.0003","90","","90","","90","","6444.2","0.3","123","2","123","2","","","","","","","","8","A m a 2","A 2 -2a","40","","","","- C22.31 H35.62 B2 Cl2.31 F8 N6 O0.35 Pd -","- C22.31 H35.62 B2 Cl2.308 F8 N6 O0.346 Pd -","- C178.48 H284.96 B16 Cl18.464 F64 N48 O2.768 Pd8 -","8","1","","Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide","Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","818","822","10.1039/c8dt04935a","","x-ray","0.71075","MoKα","","0.0604","0.0561","","","0.1401","0.1423","","","","","","1.118","","","","has coordinates,has disorder","224578","2020-10-21","18:00:00",""
"7058371","10.621","0.016","11.489","0.017","6.534","0.01","90","","90","","90","","797","2","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K O9 -","- B3 Ca4 K O9 -","- B12 Ca16 K4 O36 -","4","0.5","","Ren, Peng; Yang, Yun; Li, Hao; Yang, Zhihua; Pan, Shilie","Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges","New Journal of Chemistry","2019","43","24","9354","","10.1039/C9NJ01680E","","","0.71073","MoKα","","0.0745","0.0686","","","0.1699","0.1742","","","","","","1.082","","","","has coordinates","224685","2020-10-21","18:00:00",""
"7058372","10.62","0.006","11.543","0.006","6.523","0.003","90","","90","","90","","799.6","0.7","296","2","296","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K0.59 O9 Rb0.41 -","- B3 Ca4 K0.588 O9 Rb0.412 -","- B12 Ca16 K2.352 O36 Rb1.648 -","4","0.5","","Ren, Peng; Yang, Yun; Li, Hao; Yang, Zhihua; Pan, Shilie","Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges","New Journal of Chemistry","2019","43","24","9354","","10.1039/C9NJ01680E","","","0.71073","MoKα","","0.0455","0.038","","","0.0806","0.0836","","","","","","1.031","","","","has coordinates","224685","2020-10-21","18:00:00",""
"7059710","17.2632","0.0007","25.2792","0.0015","10.2353","0.0004","90","","90","","90","","4466.7","0.4","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C9 H2 N15 O4 S Zn2 -","- C9 H2 N15 O4 S Zn2 -","- C36 H8 N60 O16 S4 Zn8 -","4","0.5","","Talha, Khalid; Alamgir,; He, Tao; Xie, Lin-Hua; Wang, Bin; Zhao, Min-Jian; Zhang, Yong-Zheng; Chen, Qiang; Li, Jian-Rong","A three-dimensional metal‒organic framework with high performance of dual cation sensing synthesized via single-crystal transformation","New Journal of Chemistry","2020","44","27","11829","11834","10.1039/D0NJ02617D","","","0.71073","MoKα","","0.0566","0.0394","","","0.1021","0.1102","","","","","","0.97","","","","has coordinates","257675","2020-10-21","18:00:00",""
"7111610","9.7119","0.0002","12.2714","0.0003","6.2836","0.0002","90","","90","","90","","748.87","0.03","100","2","100","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C6 H11 Cu N2 O -","- C6 H11 Cu N2 O -","- C24 H44 Cu4 N8 O4 -","4","0.5","","Ley, Amanda N.; Dunaway, Lars E.; Brewster, Timothy P.; Dembo, Matthew D.; Harris, T. David; Baril-Robert, François; Li, Xiaobo; Patterson, Howard H.; Pike, Robert D.","Reversible luminescent reaction of amines with copper(i) cyanide","Chemical Communications","2010","46","25","4565","4567","10.1039/c002351e","","","1.54178","CuKα","","0.018","0.0175","","","0.0403","0.0406","","","","","","1.107","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7114072","20.649","0.002","8.9701","0.0009","7.4121","0.0007","90","","90","","90","","1372.9","0.2","150","2","150","2","","","","","","","","5","A m a 2","A 2 -2a","40","CuSCN(dpt)","Copper(I) thiocyanate 2,4-bis(4-pyridyl)-1,3,5-triazine","","- C14 H9 Cu N6 S -","- C14 H9 Cu N6 S -","- C56 H36 Cu4 N24 S4 -","4","0.5","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural isomerism in CuSCN coordination polymers","Chemical Communications","2002","","15","1640","","10.1039/b203661d","","","0.71073","MoKα","","0.0337","0.0281","","","0.0645","0.0672","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7114914","16.651","0.002","11.6816","0.0015","7.2764","0.001","90","","90","","90","","1415.3","0.3","173","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C10 H10 Cl5 Fe N2 -","- C10 H10 Cl5 Fe N2 -","- C40 H40 Cl20 Fe4 N8 -","4","0.5","","Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng","Homologous families of chloride-rich 4,4′-bipyridinium salt structures","Chemical Communications","2001","","6","567","","10.1039/b009467f","","","0.71073","MoKα","","0.0395","0.0286","","","0.0615","0.0651","","","","","","1.039","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7125399","32.1098","0.0004","13.472","0.0002","5.7153","0.0001","90","","90","","90","","2472.34","0.06","100","2","100","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C24 H28 N4 O S3 -","- C24 H28 N4 O S3 -","- C96 H112 N16 O4 S12 -","4","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0352","0.0345","","","0.0933","0.0937","","","","","","1.092","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7130537","60.951","0.006","17.6644","0.0017","9.8809","0.001","90","","90","","90","","10638.4","1.8","200","2","200","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C33 H76 B18 K2 N2 O7 -","- C33 H76 B18 K2 N2 O7 -","- C264 H608 B144 K16 N16 O56 -","8","1","","Tej, Varun; McArthur, Sarah; Banda, Isaac; Gregory, Aaron; Fisher, Steven P.; McArthur, Scott; Lavallo, Vince","Fusing 10-vertex closo-Carborane Anions with N-Heterocyclic Carbenes","Chemical Communications","2022","","","","","10.1039/D2CC02596E","","","0.71073","MoKα","","0.063","0.059","","","0.1698","0.1747","","","","","","1.1","","","","has coordinates,has disorder","277281","2022-08-17","21:55:16",""
"7150483","35.743","0.007","9.285","0.002","7.338","0.001","90","","90","","90","","2435.3","0.8","100","2","100","2","","","","","","","","4","A m a 2","A 2 -2a","40","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 4,4'-oxybisbenzoic acid","","- C30 H24 N4 O5 -","- C30 H24 N4 O5 -","- C120 H96 N16 O20 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.055","0.0371","","","0.0788","0.0836","","","","","","0.985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7208199","20.6365","0.0004","18.1133","0.0004","12.6984","0.0002","90","","90","","90","","4746.6","0.16","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C42 H37 B Cd3 F5 N7 O8 -","- C42 H37 B Cd3 F5 N7 O8 -","- C168 H148 B4 Cd12 F20 N28 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0348","0.0331","","","0.0874","0.0882","","","","","","1.072","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208643","20.376","0.002","13.5114","0.0013","4.39","0.0004","90","","90","","90","","1208.6","0.2","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B7 Li5 O14 Rb2 -","- B7 Li5 O14 Rb2 -","- B28 Li20 O56 Rb8 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Dong, Xiaoyu; Su, Xin; Yang, Zhihua; Zhang, Min; Zhao, Wenwu; Chen, Zhaohui","Li5Rb2B7O14: a new congruently melting compound with two kinds of B‒O one-dimensional chains and short UV absorption edge","CrystEngComm","2012","14","20","6720","","10.1039/c2ce06742k","","","0.71073","MoKα","","0.0265","0.0248","","","0.0588","0.0592","","","","","","1.069","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7216450","9.926","0.003","10.992","0.004","7.12","0.002","90","","90","","90","","776.8","0.4","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Gd Na3 O9 -","- C3 Gd Na3 O9 -","- C12 Gd4 Na12 O36 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0167","0.0162","","","0.0435","0.0437","","","","","","1.152","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216451","9.82","0.014","10.883","0.016","7.038","0.009","90","","90","","90","","752.2","1.8","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Na3 O9 Y -","- C3 Na3 O9 Y -","- C12 Na12 O36 Y4 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0392","0.0326","","","0.0636","0.0665","","","","","","1.08","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7220165","28.8","0.006","10.33","0.002","9.2214","0.0018","90","","90","","90","","2743.4","0.9","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C16 H32 Cl Cu3 I4 N4 O4 -","- C16 H32 Cl Cu3 I4 N4 O4 -","- C64 H128 Cl4 Cu12 I16 N16 O16 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0332","0.0315","","","0.0874","0.0883","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220166","28.536","0.006","10.276","0.002","9.2102","0.0018","90","","90","","90","","2700.8","0.9","120","2","120","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C16 H32 Cl Cu3 I4 N4 O4 -","- C16 H32 Cl Cu3 I4 N4 O4 -","- C64 H128 Cl4 Cu12 I16 N16 O16 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0287","0.0282","","","0.0729","0.0731","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221225","6.458","","8.602","","10.955","","90","","90","","90","","608.569","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","K2 Cd Pb","","- Cd K2 Pb -","- Cd K2 Pb -","- Cd4 K8 Pb4 -","4","0.5","","Matthes, R.; Schuster, H.U.","Synthese und Struktur der Phasen K2 Cd Sn und K2 Cd Pb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","541","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7228408","11.101","0.01","11.189","0.01","6.728","0.006","90","","90","","90","","835.7","1.3","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Cu2 Se4 Sn -","- Ba Cu2 Se4 Sn -","- Ba4 Cu8 Se16 Sn4 -","4","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","","0.0265","0.0251","","","0.0527","0.0532","","","","","","1.018","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7229379","6.6521","0.0008","16.2005","0.0016","11.0651","0.0016","90","","90","","90","","1192.5","0.3","296","2","296.15","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C7 H Ag2 N7 O7 -","- C7 H Ag2 N7 O7 -","- C28 H4 Ag8 N28 O28 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0548","0.0535","","","0.1452","0.1468","","","","","","1.067","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7237661","12.8692","0.0017","14.15","0.0018","10.846","0.0014","90","","90","","90","","1975","0.4","296","2","296","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C10 H21 B2 Cu F8 O S4 -","- C10 H21 B2 Cu F8 O S4 -","- C40 H84 B8 Cu4 F32 O4 S16 -","4","0.5","","Zhao, Yawei; Shen, Junyu; Yu, Ze; Hu, Maowei; Liu, Chong; Fan, Jiandong; Han, Hongxian; Hagfeldt, Anders; Wang, Mei; Sun, Licheng","Fine-tuning the coordination atoms of copper redox mediators: an effective strategy for boosting the photovoltage of dye-sensitized solar cells","Journal of Materials Chemistry A","2019","7","20","12808","","10.1039/C9TA02735A","","","0.71073","MoKα","","0.0436","0.043","","","0.1077","0.1081","","","","","","1.049","","","","has coordinates","238481","2020-10-21","18:00:00",""
"7238704","14.83","0.003","9.225","0.0016","14.606","0.002","90","","90","","90","","1998.2","0.6","110","","110","","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C12 H18 F6 Li N6 P -","- C12 H18 F6 Li N6 P -","- C48 H72 F24 Li4 N24 P4 -","4","0.5","","Seo, Daniel M.; Boyle, Paul D.; Borodin, Oleg; Henderson, Wesley A.","Li+ cation coordination by acetonitrile—insights from crystallography","RSC Advances","2012","2","21","8014","","10.1039/c2ra21290k","","","0.71073","MoKα","","0.0547","0.0402","","","0.101","0.1088","","","","","","1.019","","","","has coordinates,has disorder","244304","2020-10-21","18:00:00",""
"7239729","33.563","0.019","12.204","0.004","10.119","0.004","90","","90","","90","","4145","3","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H14 Co N4 O4 -","- C17 H14 Co N4 O4 -","- C136 H112 Co8 N32 O32 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0407","0.0374","","","0.1016","0.1036","","","","","","1.057","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7700574","18.4951","0.0017","21.577","0.002","10.5804","0.001","90","","90","","90","","4222.3","0.7","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C38 H58 N5 O Si2 Y -","- C38 H58 N5 O Si2 Y -","- C152 H232 N20 O4 Si8 Y4 -","4","0.5","","Wang, Fenhua; Zhao, Xu; Meng, Xianfu; Wang, Shaowu","Rare-earth complexes supported by an ansa-bis(amidinate) ligand with a rigid o-phenylene linker: synthesis, structure, and catalytic activity for polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12193","12198","10.1039/c9dt00365g","","","0.71073","MoKα","","0.0832","0.0469","","","0.1059","0.1236","","","","","","1.02","","","","has coordinates,has disorder","223928","2020-10-21","18:00:00",""
"7700576","18.498","0.0012","21.5082","0.0017","10.6134","0.0007","90","","90","","90","","4222.6","0.5","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C38 H58 Er N5 O Si2 -","- C38 H58 Er N5 O Si2 -","- C152 H232 Er4 N20 O4 Si8 -","4","0.5","","Wang, Fenhua; Zhao, Xu; Meng, Xianfu; Wang, Shaowu","Rare-earth complexes supported by an ansa-bis(amidinate) ligand with a rigid o-phenylene linker: synthesis, structure, and catalytic activity for polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12193","12198","10.1039/c9dt00365g","","","0.71073","MoKα","","0.0278","0.0218","","","0.049","0.0511","","","","","","1.016","","","","has coordinates,has disorder","223928","2020-10-21","18:00:00",""
"7701944","10.2731","0.0004","10.1827","0.0004","6.4354","0.0003","90","","90","","90","","673.19","0.05","293","","293","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd Eu Ge S4 -","- Cd Eu Ge S4 -","- Cd4 Eu4 Ge4 S16 -","4","0.5","","Xing, Wen-Hao; Wang, Naizheng; Guo, Yangwu; Li, Zhuang; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Lin, Zheshuai; Yao, Jiyong; Bin, Kang","Two rare-earth-based quaternary chalcogenides EuCdGeQ4 (Q = S, Se) with strong second-harmonic generation","Dalton Transactions","2019","","","","","10.1039/C9DT03755A","","","0.71073","MoKα","","0.0223","0.0214","","","0.047","0.0474","","","","","","1.125","","","","has coordinates","227928","2020-10-21","18:00:00",""
"7701945","10.7525","0.0008","10.6275","0.0008","6.674","0.0005","90","","90","","90","","762.65","0.1","293","","293","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd Eu Ge Se4 -","- Cd Eu Ge Se4 -","- Cd4 Eu4 Ge4 Se16 -","4","0.5","","Xing, Wen-Hao; Wang, Naizheng; Guo, Yangwu; Li, Zhuang; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Lin, Zheshuai; Yao, Jiyong; Bin, Kang","Two rare-earth-based quaternary chalcogenides EuCdGeQ4 (Q = S, Se) with strong second-harmonic generation","Dalton Transactions","2019","","","","","10.1039/C9DT03755A","","","0.71073","MoKα","","0.0386","0.0316","","","0.0676","0.0708","","","","","","1.111","","","","has coordinates","227928","2020-10-21","18:00:00",""
"7703480","15.596","0.003","24.683","0.005","8.749","0.0017","90","","90","","90","","3368","1.1","170","","170.15","","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C18 H20 Ba2 N2 O21 P4 S2 -","- C18 H22 Ba2 N2 O21 P4 S2 -","- C72 H88 Ba8 N8 O84 P16 S8 -","4","0.5","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.71073","MoKα","","0.0708","0.0662","","","0.1812","0.1867","","","","","","1.087","","","","has coordinates","248910","2020-10-21","18:00:00",""
"7704111","13.272","0.009","9.007","0.008","5.04","0.003","90","","90","","90","","602.5","0.8","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Li2 Na2 O7 P2 -","- Li2 Na2 O7 P2 -","- Li8 Na8 O28 P8 -","4","0.5","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0436","0.0386","","","0.0848","0.0877","","","","","","1.076","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7707486","19.4444","0.0007","17.6536","0.0006","14.8679","0.0005","90","","90","","90","","5103.6","0.3","100","2","100","2","","","","","","","","8","A m a 2","A 2 -2a","40","","","","- C51 H75 Cl Ga N2 Na O4 Si -","- C51 H75 Cl Ga N2 Na O4 Si -","- C204 H300 Cl4 Ga4 N8 Na4 O16 Si4 -","4","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.0382","0.0348","","","0.0898","0.0917","","","","","","1.033","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7710064","14.1565","0.0012","15.7413","0.0013","4.526","0.0003","90","","90","","90","","1008.58","0.14","100","","100","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C10 H20 Br4 Hg2 S4 -","- C10 H20 Br4 Hg2 S4 -","- C20 H40 Br8 Hg4 S8 -","2","0.25","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","","0.71073","MoKα","","0.0196","0.0176","","","0.0385","0.0397","","","","","","0.969","","","","has coordinates,has disorder","274588","2022-04-19","23:10:19",""
"7710286","23.458","0.0019","18.551","0.006","6.464","0.005","90","","90","","90","","2813","2","293","","293","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- Ba5 Fe2 In4 S15 Zn -","- Ba5 Fe2 In4 S15 Zn -","- Ba20 Fe8 In16 S60 Zn4 -","4","0.5","","Almoussawi, Batoul; Duffort, Victor; Arevalo-Lopez, Angel M; Braun, Maxime; Djelal, Nora; Kabbour, Houria","Preparation, characterization and DFT+U study of the polar Fe<sup>3+</sup>-based phase Ba<sub>5</sub>Fe<sub>2</sub>ZnIn<sub>4</sub>S<sub>15</sub> containing <i>S</i> = 5/2 zigzag chains.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9522","9530","10.1039/d2dt00733a","","x-ray","0.56087","AgKα","","0.0382","0.0315","","","0.0374","0.0386","","","","1.47","1.47","1.42","","","","has coordinates","276620","2022-07-06","08:10:47",""
"7712066","30.562","0.006","10.349","0.002","9.908","0.002","90","","90","","90","","3133.8","1.1","273","2","273.15","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C14 H34 I6 N6 O -","- C14 H34 I6 N6 O -","- C56 H136 I24 N24 O4 -","4","0.5","","Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1753","1760","10.1039/d2dt03889g","","","0.71073","MoKα","","0.0323","0.0293","","","0.0613","0.0629","","","","","","0.967","","","","has coordinates","283300","2023-05-05","02:17:36",""
"7712866","10.0941","0.0003","10.0305","0.0002","6.4002","0.0002","90","","90","","90","","648.01","0.03","295.66","0.1","295.66","0.1","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ag P S4 Sr -","- Ag0.99 P S4 Sr -","- Ag3.96 P4 S16 Sr4 -","4","0.5","","Xing, Wenhao; Tang, Jian; Liang, Fei; Tang, Chunlan; Wu, Jieyun; Yin, Wenlong; Bin, Kang; Deng, Jianguo","Quaternary alkaline-earth metal thiophosphate SrAgPS4: syntheses, structure, and optical properties","Dalton Transactions","2023","","","","","10.1039/D3DT00793F","","x-ray","1.54184","CuKα","","0.0237","0.0233","","","0.057","0.0572","","","","","","1.11","","","","has coordinates,has disorder","282836","2023-04-25","22:56:33",""
"8100161","15.9186","0.0009","15.6388","0.0004","7.2709","0.0003","90","","90","","90","","1810.07","0.13","213","2","213","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H22 Cr F6 P -","- C17 H22 Cr F6 P -","- C68 H88 Cr4 F24 P4 -","4","0.5","","Hradsky, Andreas; Kopacka, Holger; Bildstein, Benno; Wurst, Klaus","Crystal structure of (η^7^-2,4,6-cycloheptatrien-1-ylium)(η^5^-1,2,3,4,5- pentamethyl-2,4-cyclopentadien-1-yl)chromium(I) hexafluorophosphate, [Cr(C~7~H~7~)(C~10~H~15~)][PF~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","371","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101228","6.154","0.001","20.963","0.004","12.169","0.002","90","","90","","90","","1569.7","0.5","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- N2 O Rb2 W -","- N3 Rb2 W -","- N36 Rb24 W12 -","12","1.5","","Niewa, Rainer; Jacobs, Herbert","Crystal structure of dirubidium oxodinitridotungstate(VI), Rb~2~[WN~2~O]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","17","18","","","","","","","","0.0409","","","0.0952","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103527","16.776","","13.828","","5.021","","90","","90","","90","","1164.76","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Cs0.814 (Al Si5 O12)","","- Al Cs0.814 O12 Si5 -","- Al1.002 Cs0.814 O12 Si4.998 -","- Al4.008 Cs3.256 O48 Si19.992 -","4","0.5","","Araki, T.","Crystal structure of a cesium alumosilicate, Cs (Al Si5 O12)","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","207","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9009465","12.51","","6.318","","8.561","","90","","90","","90","","676.646","","","","","","","","","","","","Christmas mine, Gile County, Arizona, USA","5","A m a 2","A 2 -2a","40","","","Junitoite","- Ca H2 O8 Si2 Zn2 -","- Ca H2 O8 Si2 Zn2 -","- Ca4 H8 O32 Si8 Zn8 -","4","0.5","","Hamilton, R. D.; Finney, J. J.","The structure of junitoite, CaZn2Si2O7*H2O","Mineralogical Magazine","1985","49","","91","95","10.1180/minmag.1985.049.350.13","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9012661","22.301","","10.514","","9.669","","90","","90","","90","","2267.12","","","","","","","","","","","","Diabazavoe occurence, Zhitkovichi District, Belarus","14","A m a 2","A 2 -2a","40","","","Byelorussite-(Ce)","- Ba1.9 Ce2 F0.7 Fe0.16 H2.3 K0.05 Mg0.05 Mn0.52 Na0.95 O27.3 Si8 Sr0.1 Ti2 Zn0.27 -","- Ba1.9 Ce2 F0.7 Fe0.16 H2.3 K0.05 Mg0.05 Mn0.52 Na0.95 O27.3 Si8 Sr0.1 Ti2 Zn0.27 -","- Ba7.6 Ce8 F2.8 Fe0.64 H9.2 K0.2 Mg0.2 Mn2.08 Na3.8 O109.2 Si32 Sr0.4 Ti8 Zn1.08 -","4","0.5","","Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Tillmanns, E.; Pekov, I. V.; Krotova, O. D.","Crystal structure of byelorussite-(Ce) NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)*H2O","Crystallography Reports","2004","49","","964","968","10.1134/1.1828140","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9014240","20.5805","0.0017","10.324","0.0008","9.1053","0.0008","90","","90","","90","","1934.6","0.3","296","2","296","2","","","","","","","Ikizdere, Turkey","4","A m a 2","A 2 -2a","40","","","trabzonite","- Ca4 H2 O11 Si3 -","- Ca4 H2 O11 Si3 -","- Ca32 H16 O88 Si24 -","8","1","","Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M.","Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite","Mineralogical Magazine","2012","76","3","455","472","10.1180/minmag.2012.076.3.02","","","0.71073","MoKα","","0.0724","0.0565","","","0.1366","0.1475","","","","","","1.01","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9017410","8.4905","","6.3905","","4.5026","","90","","90","","90","","244.305","","","","","","","","","","","","theoretical","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","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","07:58:12",""