# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T10:25:28+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b c m' 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
"1000332","5.1719","0.0002","13.7555","0.0007","5.5178","0.0002","90","","90","","90","","392.5","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Barium oxotetrafluorotitanate","","- Ba F4 O Ti -","- Ba F4 O Ti -","- Ba4 F16 O4 Ti4 -","4","0.5","","Crosnier, M P; Fourquet, J L","Synthesis and crystal structure of BaTiOF~4~","European Journal of Solid State Inorganic Chemistry","1992","29","","199","206","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000394","4.8866","0.0006","8.531","0.001","9.582","0.001","90","","90","","90","","399.5","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Barium copper carbonate difluoride","","- C Ba Cu F2 O3 -","- C Ba Cu F2 O3 -","- C4 Ba4 Cu4 F8 O12 -","4","0.5","","Leblanc, M; Mercier, N; Attfield, J - P","Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction","European Journal of Solid State Inorganic Chemistry","1995","32","","535","538","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001342","8.836","0.001","9.255","0.001","12.288","0.001","90","","90","","90","","1004.9","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Thallium dimolybdenotriphosphate","","- Mo2 O12 P3 Tl -","- Mo2 O12 P3 Tl -","- Mo8 O48 P12 Tl4 -","4","0.5","","Leclaire, A; Monier, J C; Raveau, B","Tl Mo~2~^IV^ P~3~ O~12~: A Molybdenophosphate with a Tunnel Structure","Journal of Solid State Chemistry","1985","59","","301","305","10.1016/0022-4596(85)90297-X","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001350","8.8314","0.0008","9.2368","0.0007","12.3051","0.0009","90","","90","","90","","1003.8","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Rubidium dimolybdenotriphosphate(V)","","- Mo2 O12 P3 Rb -","- Mo2 O12 P3 Rb -","- Mo8 O48 P12 Rb4 -","4","0.5","","Leclaire, A; Raveau, B","Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl).","Acta Crystallographica C (39,1983-)","1988","44","","226","229","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001393","8.818","0.0006","9.1574","0.0008","12.3836","0.0008","90","","90","","90","","1000","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Potassium molybdenum(IV) tungsten(IV) phosphate *","","- K Mo O12 P3 W -","- K Mo O12 P3 W -","- K4 Mo4 O48 P12 W4 -","4","0.5","","Benmoussa, A; Leclaire, A; Grandin, A; Raveau, B","K Mo W P~3~ O~12~, a tunnel structure of the K Mo~2~ P~3~ O~12~ - type","Acta Crystallographica C (39,1983-)","1989","45","","1277","1279","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001426","8.8518","0.0005","9.1453","0.0011","12.5174","0.0011","90","","90","","90","","1013.3","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Potassium molybdenum niobium oxide phosphate diphosphate *","","- K0.75 Mo Nb O12 P3 -","- K0.75 Mo Nb O12 P3 -","- K3 Mo4 Nb4 O48 P12 -","4","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Non-stoichiometry in the KMo~2~P~3~O~12~-tunnel structure: the oxide K~0.75~MoNbP~3~O~12~","Acta Crystallographica C (39,1983-)","1990","46","","1381","1383","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007245","5.142","","11.93","","12.95","","90","","90","","90","","794.4","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Ammonium cobalt catena-phosphate","","- Co H4 N O9 P3 -","- Co H4 N O9 P3 -","- Co4 H16 N4 O36 P12 -","4","0.5","","Tranqui, D; Grenier, J C; Durif, A; Guitel, J C","Structure cristalline de la variete orthorhombique du metaphosphate de cobalt-ammonium: Co N H4 (P O3)3","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","252","256","","","","","","","0.13","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100916","5.5462","0.0003","5.6028","0.0004","15.6365","0.0013","90","","90","","90","","485.9","0.06","292","1","","","","","","","","","","3","P b c m","-P 2c 2b","57","","silver niobate","","- Ag Nb O3 -","- Ag Nb O3 -","- Ag8 Nb8 O24 -","8","1","","Fabry, Jan; Zikmund, Zdenek; Kania, Antoni; Petricek, Vaclav","Structural study of AgNbO~3~ at room temperature","Acta Crystallographica, Section C","2000","56","","916","918","10.1107/S0108270100006806","","","0.71073","MoKα","","","0.034","","","","0.053","","","2.69","","","2.84","","","","has coordinates","134621","2020-10-21","18:00:00",""
"1503576","10.164","0.002","15.148","0.003","31.248","0.006","90","","90","","90","","4811.1","1.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C42 H48 N12 Ni2 O16 -","- C42 H48 N12 Ni2 O16 -","- C168 H192 N48 Ni8 O64 -","4","0.5","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.0651","0.0454","","","0.1243","0.1454","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508376","6.2717","0.0013","12.841","0.003","25.693","0.005","90","","90","","90","","2069.2","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C10 H24 Cl5 Fe N2 O4 -","- C10 H24 Cl5 Fe N2 O4 -","- C40 H96 Cl20 Fe4 N8 O16 -","4","0.5","","Bäcker, Tobias; Mudring, Anja-Verena","Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept","Crystals","2012","2","1","110","117","10.3390/cryst2010110","","","0.71073","MoKα","","0.0813","0.0393","","","0.0752","0.0818","","","","","","0.8","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508543","9.625","0.0003","26.794","0.0004","6.906","0.0014","90","","90","","90","","1781","0.4","130","2","130","2","","","","","","","","4","P b c m","-P 2c 2b","57","HOArpyCH3","HOArpyCH3","","- C20 H27 N O -","- C20 H27 N O -","- C80 H108 N4 O4 -","4","0.5","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.1252","0.0607","","","0.13","0.152","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509314","12.8284","","5.2815","","5.282","","90","","90","","90","","357.872","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ag Eu (Ti O4)","","- Ag Eu O4 Ti -","- Ag Eu O4 Ti -","- Ag4 Eu4 O16 Ti4 -","4","0.5","","Sato, M.; Kurita, S.; Toda, K.","Synthesis and ionic conductivity of novel layered perovskite compound, Ag La Ti O4 and Ag Eu Ti O4","Solid State Ionics","1995","81","","267","271","10.1016/0167-2738(95)00184-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510212","4.0335","","13.073","","5.6952","","90","","90","","90","","300.308","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","La Au O3","","- Au La O3 -","- Au La O3 -","- Au4 La4 O12 -","4","0.5","","Ralle, M.; Jansen, M.","Synthesis and crystal structure determination of LaAuO3","Journal of Solid State Chemistry","1993","105","","378","384","10.1006/jssc.1993.1228","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514104","3.026","0.001","9.769","0.002","9.568","0.001","90","","90","","90","","282.84","0.11","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Manganese Dimanganese(III) Oxide","","- Mn3 O4 -","- Mn3 O4 -","- Mn12 O16 -","4","0.5","","Kuznetsov, L. M.; Tsvigunov, A. N.; Brudina, K. P.","Pressure diagram of manganese(II,III) oxide and crystal structure of the high pressure phase of delta-manganese(II,III) oxide","Geokhimiya","1979","1979","","254","260","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514241","2.896","0.0023","9.5081","0.0056","9.2587","0.0084","90","","90","","90","","254.9","0.3","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Manganese Dimanganese(III) Oxide","Hausmannite","- Mn3 O4 -","- Mn3 O4 -","- Mn12 O16 -","4","0.5","","Moritomo, Y.; Ohishi, Y.; Kuriki, A.; Nishibori, E.; Takata, M.; Sakata, M.","High-pressure structural analysis of Mn3 O4","Journal of the Physical Society of Japan","2003","72","3","765","766","10.1143/JPSJ.72.765","","","","","","0.0043","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1515831","5.0359","0.00003","7.07342","0.00004","12.65425","0.00006","90","","90","","90","","450.757","0.004","293","","293","","101","","101","","","","","4","P b c m","-P 2c 2b","57","","","","- Bi Fe2 Mn O6 -","- Bi Fe2 Mn O6 -","- Bi4 Fe8 Mn4 O24 -","4","0.5","","Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha","BiMnFe2O6, a polysynthetically twinned hcp MO structure","Chemical Science","2010","1","6","751","","10.1039/c0sc00348d","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517576","8.8721","0.0016","29.118","0.005","24.202","0.004","90","","90","","90","","6252.3","1.9","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C44 H28 Co2 N0 O21 -","- C44 H28 Co2 O21 -","- C176 H112 Co8 O84 -","4","0.5","","Ling-Yan Pang; Ping Liu; Cui-Ping Zhang; Xin Chen; Bo Chen; Yao-Yu Wang; Qi-Zhen Shi","Four cobalt(II) complexes constructed from a butterfly-shaped tetracarboxylic acid with N-donor ligands: Structures, magnetism and influence of coordination modes on dihedral angles","Inorganica Chimica Acta","2013","403","","43","52","","","","0.71073","MoKα","","0.1245","0.0654","","","0.1891","0.2003","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519930","10.9013","0.0002","12.0601","0.0002","25.222","0.0005","90","","90","","90","","3315.96","0.11","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","RSnH3","","","- C18 H26 Sn0.5 -","- C18 H26 Sn0.5 -","- C144 H208 Sn4 -","8","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.026","0.0208","","","0.0557","0.0584","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520823","6.09556","","5.4886","","5.183","","90","","90","","90","","173.403","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Tl F","","- F Tl -","- F Tl -","- F4 Tl4 -","4","0.5","","Berastegui, P.; Hull, S.","The crystal structures of thallium(I) fluoride","Journal of Solid State Chemistry","2000","150","","266","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521468","5.054","","11.904","","5.839","","90","","90","","90","","351.291","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Ca (Nb2 O4)","","- Ca Nb2 O4 -","- Ca Nb2 O4 -","- Ca4 Nb8 O16 -","4","0.5","","Kumada, N.; Kinomiura, N.","Preparation and crystal structure of a new reduced calcium niobium oxide: Ca Nb2 O4","Journal of Solid State Chemistry","1999","147","","671","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522154","6.337","","7.2442","","11.2513","","90","","90","","90","","516.508","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pr2 Te (Si O4)","","- O4 Pr2 Si Te -","- O4 Pr2 Si Te -","- O16 Pr8 Si4 Te4 -","4","0.5","","Weber, F.A.; Schleid, T.","Zwei Formen (A- und B-Typ) von Pr2 Te (Si O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","2071","2076","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522450","9.171","","8.503","","5.648","","90","","90","","90","","440.437","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Ga Hf -","- Ga Hf -","- Ga12 Hf12 -","12","1.5","","Markiv, V.Ya.; Belyavina, N.N.","The crystal structure of Hf Ga and of Hf3 Cr2 Si4","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1986","1986","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522452","9.25","","8.577","","5.638","","90","","90","","90","","447.303","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Ga6 (V0.72 Zr5.28)","","- Ga6 V0.72 Zr5.28 -","- Ga6 V0.72 Zr5.28 -","- Ga12 V1.44 Zr10.56 -","2","0.25","","Markiv, V.Ya.; Belyavina, N.N.","The crystal structures of Hf Ga and Hf3 Cr2 Si4","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1986","1986","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","142677","2020-10-21","18:00:00",""
"1524377","10.806","","9.954","","6.52","","90","","90","","90","","701.31","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- In Th -","- In Th -","- In12 Th12 -","12","1.5","","Fornasini, M.L.; Palenzona, A.; Manfrinetti, P.","Crystal structure of the new thorium intermetallics Th In and Th6 Cd7","Journal of Solid State Chemistry","1984","51","","135","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525959","5.1192","","11.8822","","12.9827","","90","","90","","90","","789.703","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Tl Zn (P O3)3","","- O9 P3 Tl Zn -","- O9 P3 Tl Zn -","- O36 P12 Tl4 Zn4 -","4","0.5","","El Abiad, A.; Gravereau, P.; Es-Sakhi, B.; Mesnaoui, M.; Belharouak, I.; Maazaz, M.; Parent, C.; Wallez, G.; le Flem, G.","The structure and luminescent properties of Tl Zn (P O3)3","Journal of Solid State Chemistry","2000","154","","584","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526473","13.0982","","5.4115","","5.4242","","90","","90","","90","","384.472","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Sm (Ti O4)","","- K O4 Sm Ti -","- K0.95 O4.09 Sm0.982 Ti1.012 -","- K3.8 O16.36 Sm3.928 Ti4.048 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526475","13.0045","","5.4116","","5.4205","","90","","90","","90","","381.469","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Eu (Ti O4)","","- Eu K O4 Ti -","- Eu0.96 K1.034 O4.1 Ti1.016 -","- Eu3.84 K4.136 O16.4 Ti4.064 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526477","12.9564","","5.417","","5.4228","","90","","90","","90","","380.598","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Gd (Ti O4)","","- Gd K O4 Ti -","- Gd1.001 K0.948 O4.1 Ti1.007 -","- Gd4.004 K3.792 O16.4 Ti4.028 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526479","12.8102","","5.4303","","5.4299","","90","","90","","90","","377.721","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Dy (Ti O4)","","- Dy K O4 Ti -","- Dy0.983 K0.996 O4.13 Ti1.013 -","- Dy3.932 K3.984 O16.52 Ti4.052 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526769","13.99","","10.808","","25.671","","90","","90","","90","","3881.56","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Cs2 ((U O2)6 (Mo O4)7 (H2 O)2)","","- Cs2 H4 Mo7 O42 U6 -","- Cs2 Mo7 O42 U6 -","- Cs8 Mo28 O168 U24 -","4","0.5","","Krivovichev, S.V.; Burns, P.C.","Crystal chemistry of uranyl molybdates. IV. The structures of M2 ((U O2)6 (Mo O4)7 (H2 O)2) (M = Cs, N H4)","Canadian Mineralogist","2001","39","","207","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527014","6.279","","7.189","","11.168","","90","","90","","90","","504.121","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Nd2 (Si O4) Te","","- Nd2 O4 Si Te -","- Nd2 O4 Si Te -","- Nd8 O16 Si4 Te4 -","4","0.5","","Yang, Y.-T.; Ibers, J.A.","Accidental silicon-containing compounds: crystal structures of La3 Al0.44 Si0.93 S7, Ba Sm4 (Si O4)3 Se, and monoclinic and orthorhombic Ln2 (Si O4) Te (Ln = Nd and Sm)","Journal of Solid State Chemistry","2000","155","","433","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527015","6.201","","7.091","","11.077","","90","","90","","90","","487.07","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Sm2 (Si O4) Te","","- O4 Si Sm2 Te -","- O4 Si Sm2 Te -","- O16 Si4 Sm8 Te4 -","4","0.5","","Yang, Y.-T.; Ibers, J.A.","Accidental silicon-containing compounds: crystal structures of La3 Al0.44 Si0.93 S7, Ba Sm4 (Si O4)3 Se, and monoclinic and orthorhombic Ln2 (Si O4) Te (Ln = Nd and Sm)","Journal of Solid State Chemistry","2000","155","","433","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527326","4.72","","9.18","","11.24","","90","","90","","90","","487.025","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (Te F5)","","- F5 K Te -","- F5 K Te -","- F20 K4 Te4 -","4","0.5","","Edwards, A.J.; Mouty, M.A.","Fluoride crystal structures. Part V. Potassium pentafluorotellurate(IV)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1969","1969","","703","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527491","5.176","","10.794","","5.68","","90","","90","","90","","317.34","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K V O3","","- K O3 V -","- K O3 V -","- K4 O12 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527492","5.261","","11.425","","5.715","","90","","90","","90","","343.511","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (V O3)","","- O3 Rb V -","- O3 Rb V -","- O12 Rb4 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527493","5.393","","12.249","","5.786","","90","","90","","90","","382.217","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Cs V O3","","- Cs O3 V -","- Cs O3 V -","- Cs4 O12 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527744","3.949","","17.622","","16.626","","90","","90","","90","","1156.99","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Nb2 W O8","","- Nb2 O8 W -","- Nb1.99 O8 W1.01 -","- Nb15.92 O64 W8.08 -","8","1","","Lundberg, M.","The crystal structure of Nb2 W O8","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","2932","2940","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527909","10.77","","9.932","","6.554","","90","","90","","90","","701.066","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Th Tl -","- Th Tl -","- Th12 Tl12 -","12","1.5","","Palenzona, A.; Canepa, F.; Cirafici, S.","The Th-Tl phase diagram and the alloying properties of thorium with the group 3B elements","Journal of the Less-Common Metals","1985","114","","311","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528267","5.62","","16.91","","8.29","","90","","90","","90","","787.834","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","P Br5","","- Br5 P -","- Br5 P -","- Br20 P4 -","4","0.5","","van Driel, M.; MacGillavry, C.H.","The crystal structure of phosphorus pentabromide","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1943","62","","167","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529624","5.595","","15.715","","11.382","","90","","90","","90","","1000.77","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca Cr O4 (H2 O)2","","- Ca Cr H4 O6 -","- Ca Cr O6 -","- Ca8 Cr8 O48 -","8","1","","Ben Amor, M.; Louer, M.; le Marouille, J.Y.","Cristallochimie. - Determination de la structure cristalline du chromate de calcium dihydrate beta Ca Cr O4 (H2 O)2","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1982","294","","725","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531331","6.0587","","6.9041","","10.6495","","90","","90","","90","","445.467","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ho2 S (Si O4)","","- Ho2 O4 S Si -","- Ho2 O4 S Si -","- Ho8 O16 S4 Si4 -","4","0.5","","Hartenbach, I.; Meier, S.F.; Wontcheu, J.; Schleid, T.","Ho2 O (Si O4) und Ho2 S (Si O4): zwei Chalkogenid-Derivate von Holmium(III)-ortho-Oxosilicat","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2907","2913","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531624","10.47","","7.514","","21.312","","90","","90","","90","","1676.65","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Cs3 Nb5 (Nb0.56 Fe0.44) O16","","- Cs3 Fe0.44 Nb5.56 O16 -","- Cs3 Fe0.44 Nb5.56 O16 -","- Cs12 Fe1.76 Nb22.24 O64 -","4","0.5","","Kumada, N.; Hosokawa, Y.; Takei, T.; Kinomura, N.","Preparation and crystal structure of new cesium iron niobium oxide : Cs3 Fe0.44 Nb5.56 O16","Materials Research Bulletin","2002","37","","775","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","157134","2020-10-21","18:00:00",""
"1531909","9.89","","10.84","","9.106","","90","","90","","90","","976.232","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Cs (Ag B10 H10)","","- Ag B10 Cs H10 -","- Ag B10 Cs H10 -","- Ag4 B40 Cs4 H40 -","4","0.5","","Malinina, E.A.; Lisovskii, M.V.; Polyakova, I.N.; Zhizhin, K.Yu.; Kuznetsov, N.T.","Silver(I) and copper(I) complexes with the closo-decaborate anion (B10 H10)(2-) as ligand","Zhurnal Neorganicheskoi Khimii","2002","47","","1275","1284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532386","5.4763","","9.2274","","9.0772","","90","","90","","90","","458.689","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Sr0.53 Ba0.47 Cu N","","- Ba0.47 Cu N Sr0.53 -","- Ba0.466 Cu N Sr0.534 -","- Ba3.728 Cu8 N8 Sr4.272 -","8","1","","Yamane, H.; Sasaki, S.; Kajiwara, T.; Kubota, S.; Shimada, M.","Synthesis and crystal structure analysis of Sr8 Cu3 In4 N5 and Sr0.53 Ba0.47 Cu N","Journal of Solid State Chemistry","2003","170","","265","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532422","7.177","","9.804","","12.775","","90","","90","","90","","898.891","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(Mg (S O4))2 (Mg (O H)2) (H2 O)2","","- H6 Mg3 O12 S2 -","- Mg3 O12 S2 -","- Mg12 O48 S8 -","4","0.5","","Yue Tao; Gao Shiyang; Yu Kaibei; Xia Shuping; Zhi Li-Xia","Crystal growth and crystal structure of magnesium oxysulfate 2(Mg S O4) * (Mg (O H)2) * 2(H2 O)","Journal of Molecular Structure","2002","616","","247","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","158134","2020-10-21","18:00:00",""
"1532938","5.62","","7.808","","13.567","","90","","90","","90","","595.333","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sm3 Ru2 Ge2","","- Ge2 Ru2 Sm3 -","- Ge2 Ru2 Sm3 -","- Ge8 Ru8 Sm12 -","4","0.5","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","158956","2020-10-21","18:00:00",""
"1532966","4.1018","","26.833","","16.023","","90","","90","","90","","1763.55","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","La5 In3 S9 O3","","- In3 La5 O3 S9 -","- In3 La5 O3 S9 -","- In12 La20 O12 S36 -","4","0.5","","Kabbour, H.; Cario, L.; Moelo, Y.; Meerschaut, A.","Synthesis, X-ray and optical characterizations of two new oxysulfides: La In S2 O and La5 In3 S9 O3","Journal of Solid State Chemistry","2004","177","","1053","1059","","","","","","","","","","","","","","","","","","","","","","has coordinates","158985","2020-10-21","18:00:00",""
"1534191","5.653","","10.708","","16.799","","90","","90","","90","","1016.88","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (Ta5 O13)","","- K O13 Ta5 -","- K O13 Ta5 -","- K4 O52 Ta20 -","4","0.5","","Awadalla, A.A.; Gatehouse, B.M.","Crystal structure of some niobium and tantalum oxides. IV. The structure of K Ta5 O13 and its relationship to the alpha Pb O2 structure","Journal of Solid State Chemistry","1978","24","","183","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534216","3.531","","10.358","","6.486","","90","","90","","90","","237.22","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Na H N C N","","- C H N2 Na -","- C H N2 Na -","- C4 H4 N8 Na4 -","4","0.5","","Barker, M.G.; Harper, A.; Hubberstey, P.","Alkali metal salts of cyanamide: crystal and anion structure of the monosodium salt of cyanamide","Journal of Chemical Research (Synopsis)","1978","1978","","432","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534603","6.541","","10.991","","8.315","","90","","90","","90","","597.783","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Na Cs (Ge0.5 Sn0.5) F6","","- Cs F6 Ge0.5 Na Sn0.5 -","- Cs F6 Ge0.5 Na Sn0.5 -","- Cs4 F24 Ge2 Na4 Sn2 -","4","0.5","","Antokhina, T.F.; Gerasimenko, A.V.; Kaidalova, T.A.; Lysun, T.V.","Synthesis and structure of fluorocomplexes of group IV with heteroatomic cation and anion grid","Zhurnal Neorganicheskoi Khimii","1993","38","","491","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534729","5.774","","18.233","","8.905","","90","","90","","90","","937.495","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Cs V O3 (H2 O)0.5","","- Cs H O3.5 V -","- Cs H O3.5 V -","- Cs8 H8 O28 V8 -","8","1","","Avtamonova, N.V.; Trunov, V.K.","The crystal structure of cesium metavanadate hemihydrate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","171","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534860","5.96394","","16.43335","","6.42132","","90","","90","","90","","629.338","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Na5 O (As O4)","","- As Na5 O5 -","- As Na5 O5 -","- As4 Na20 O20 -","4","0.5","","Haas, H.; Jansen, M.","Synthese und Charakterisierung von Na5 As O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1013","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534874","12.634","","6.2037","","18.3698","","90","","90","","90","","1439.78","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Ce Ni (Sb3)","","- Ce Ni Sb3 -","- Ce Ni Sb3 -","- Ce12 Ni12 Sb36 -","12","1.5","","Macaluso, R.T.; Chan, J.Y.; Sykora, R.E.; Albrecht-Schmitt, T.E.; Wells, D.M.; Nakatsuji, S.; Fisk, Z.; Mar, A.; Lee, H.","Structure and electrical resistivity of Ce Ni Sb3","Journal of Solid State Chemistry","2004","177","","293","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534879","10.954","","10.8519","","13.2447","","90","","90","","90","","1574.42","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Te6 (Zr Cl6)","","- Cl6 Te6 Zr -","- Cl6 Te6 Zr -","- Cl24 Te24 Zr4 -","4","0.5","","Baumann, A.; Beck, J.","Synthesis and crystal structure if Te6 (M Cl6) (M = Zr, Hf), containing a polymeric chalcogen cation (Te6(2+))n","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2078","2082","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534883","10.9479","","10.8631","","13.2502","","90","","90","","90","","1575.82","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Te6 (Hf Cl6)","","- Cl6 Hf Te6 -","- Cl6 Hf Te6 -","- Cl24 Hf4 Te24 -","4","0.5","","Baumann, A.; Beck, J.","Synthesis and crystal structure if Te6 (M Cl6) (M = Zr, Hf), containing a polymeric chalcogen cation (Te6(2+))n","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2078","2082","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534978","6.292","","12.341","","12.248","","90","","90","","90","","951.052","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(Hg3 As2) Tl Cl3","","- As2 Cl3 Hg3 Tl -","- As2 Cl3 Hg3 Tl -","- As8 Cl12 Hg12 Tl4 -","4","0.5","","Beck, J.; Neisel, U.","Polykationische Hg-Pnictid-Gerueste mit einer neuen Fuellungsvariante in den Strukturen von Hg3 As2 Tl Cl3 und Hg3 Sb2 Tl Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2016","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534981","6.61","","13.112","","13.071","","90","","90","","90","","1132.87","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(Hg3 Sb2) Tl Br3","","- Br3 Hg3 Sb2 Tl -","- Br3 Hg3 Sb2 Tl -","- Br12 Hg12 Sb8 Tl4 -","4","0.5","","Beck, J.; Neisel, U.","Polykationische Hg-Pnictid-Gerueste mit einer neuen Fuellungsvariante in den Strukturen von Hg3 As2 Tl Cl3 und Hg3 Sb2 Tl Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2016","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534996","7.068","","12.536","","19.968","","90","","90","","90","","1769.25","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(N H4) ((V O) (S O3)1.5 (H2 O)) (H2 O)2.5","","- H11 N O9 S1.5 V -","- N O9 S1.5 V -","- N8 O72 S12 V8 -","8","1","","Manos, M.J.; Miras, H.N.; Woollins, J.D.; Tangoulis, V.; Slawin, A.M.Z.; Kabanos, T.A.","Polyoxovanadium(IV) sulfite compounds: synthesis, structural and physical studies","Angew. Chem. Int. ed.","2003","42","","425","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535138","7.2852","","9.9568","","13.2519","","90","","90","","90","","961.257","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Mn3 (O H)2 (S O4)2 (H2 O)2","","- H6 Mn3 O12 S2 -","- H4 Mn3 O12 S2 -","- H16 Mn12 O48 S8 -","4","0.5","","Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Bouree-Vigneron, F.; Richard-Plouet, M.; Gilles, A.; Mhiri, T.","Synthesis, nuclear, and magnetic structures and magnetic properties of (Mn3 (O H)2 (S O4)2 (H2 O)2)","Chemistry - A European Journal","2004","10","","2048","2057","","","","","","","","","","","","","","","","","","","","","","has coordinates","162340","2020-10-21","18:00:00",""
"1535204","5.689","","32.809","","7.445","","90","","90","","90","","1389.61","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Hg2 (B (C N)4)2","","- C8 B2 Hg2 N8 -","- C8 B2 Hg2 N8 -","- C32 B8 Hg8 N32 -","4","0.5","","Berkei, M.; Willner, H.; Bernhardt, E.; Schuermann, M.; Mehring, M.","Darstellung, spektroskopische Charakterisierung und Kristallstrukturen von Quecksilber(II)-bis(tetracyanoborat) Hg (B (C N)4)2 und Diquecksilber(I)-bis(tetracyanoborat) Hg2 (B (C N)4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1734","1740","","","","","","","","","","","","","","","","","","","","","","has coordinates","162442","2020-10-21","18:00:00",""
"1535217","7.0953","","7.8391","","16.8998","","90","","90","","90","","939.98","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Cu Sm3 Se4 (Se2)","","- Cu Se6 Sm3 -","- Cu0.988 Se6 Sm3 -","- Cu3.952 Se24 Sm12 -","4","0.5","","Strobel, S.; Schleid, T.","Cu Sm3 Se4 (Se2): a new ternary copper(I) rare-earth(III) selenide with mono- and diselenide units","Journal of Solid State Chemistry","2003","171","","424","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535312","4.92","","11.82","","5.85","","90","","90","","90","","340.203","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(N H4) (V O3)","","- H4 N O3 V -","- N O3 V -","- N4 O12 V4 -","4","0.5","","Synecek, V.; Hanic, P.","The crystal structure of ammonium metavanadate","Czechoslovak Journal of Physics","1954","4","","120","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535470","6.466","","17.925","","7.298","","90","","90","","90","","845.86","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sr5 (Nb N4) N","","- N5 Nb Sr5 -","- N5 Nb Sr5 -","- N20 Nb4 Sr20 -","4","0.5","","Hoehn, P.; Kniep, R.","Sr5 (Nb N4) N - A nitridoniobate(V) nitride containing isolated (Nb N4)(7-) tetrahedra and octahedral chains (1 infty) (Sr4 Sr2/2 N)(7+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","463","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535697","19.2609","","33.813","","28.1628","","90","","90","","90","","18341.6","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- H80 K72 O316 U56.82 -","- K72 O316 U56.812 -","- K144 O632 U113.624 -","2","0.25","","Burns, P.C.; Fryer, B.J.; Sigmon, G.; Kubatko, K.A.; Soderholm, L.; Gagnon, J.E.; Antonio, M.R.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535718","13.167","","5.363","","5.338","","90","","90","","90","","376.941","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","La (La0.76 Sr0.24) Cu O3.92","","- Cu La1.76 O3.92 Sr0.24 -","- Cu La1.76 O3.92 Sr0.24 -","- Cu4 La7.04 O15.68 Sr0.96 -","4","0.5","","Muradyan, L.A.; Bagdasarov, Kh.S.; Kevorkov, A.M.; Tamazyan, R.A.; Simonov, V.I.","Atomic structures of (La1-x Srx)2 Cu O4 with various strontium content","Kristallografiya","1990","35","","861","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535722","13.194","","5.363","","5.348","","90","","90","","90","","378.421","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(La1.8 Sr0.2) Cu O4","","- Cu La1.8 O4 Sr0.2 -","- Cu La1.8 O4 Sr0.2 -","- Cu4 La7.2 O16 Sr0.8 -","4","0.5","","Muradyan, L.A.; Tamazyan, R.A.; Kevorkov, A.M.; Bagdasarov, Kh.S.; Simonov, V.I.","Atomic structures of (La1-x Srx)2 Cu O4 with various strontium content","Kristallografiya","1990","35","","861","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535833","8.36518","","6.46898","","7.21266","","90","","90","","90","","390.307","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535848","8.56092","","6.61711","","7.65067","","90","","90","","90","","433.399","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (N (C N)2)","","- C2 N3 Rb -","- C2 N3 Rb -","- C8 N12 Rb4 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536001","8.761","","11.957","","13.858","","90","","90","","90","","1451.7","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(Cu Br)2 P8 Se3","","- Br2 Cu2 P8 Se3 -","- Br2 Cu2 P8 Se3 -","- Br8 Cu8 P32 Se12 -","4","0.5","","Nilges, S.; Nilges, T.; Pfitzner, A.; Haeuseler, H.","(Cu Br)2 P8 Se3: preparation, structural, and vibrational sprectroscopic characterization of an adduct of P8 Se3 cages to Cu2 Br2 rhombs","Journal of Molecular Structure","2004","706","","89","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","163554","2020-10-21","18:00:00",""
"1536385","6.1297","","11.268","","12.9668","","90","","90","","90","","895.61","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(Co (S O4))2 (Hg O)2 (H2 O)","","- Co2 H2 Hg2 O11 S2 -","- Co2 H2 Hg2 O11 S2 -","- Co8 H8 Hg8 O44 S8 -","4","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M= Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536388","6.1323","","11.2609","","12.9574","","90","","90","","90","","894.776","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(Zn (S O4))2 (Hg O)2 (H2 O)","","- H2 Hg2 O11 S2 Zn2 -","- H2 Hg2 O11 S2 Zn2 -","- H8 Hg8 O44 S8 Zn8 -","4","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","164070","2020-10-21","18:00:00",""
"1536391","6.1967","","11.4481","","13.3628","","90","","90","","90","","947.963","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(Zn (Se O4))2 (Hg O)2 (H2 O)","","- H2 Hg2 O11 Se2 Zn2 -","- H2 Hg2 O11 Se2 Zn2 -","- H8 Hg8 O44 Se8 Zn8 -","4","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","164074","2020-10-21","18:00:00",""
"1537014","8.282","","13.225","","26.73","","90","","90","","90","","2927.72","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Cs3 (Nd Cl6)","","- Cl6 Cs3 Nd -","- Cl6 Cs3 Nd -","- Cl48 Cs24 Nd8 -","8","1","","Reuter, G.; Frenzen, G.","The thermal dehydration of Cs3 Ln Cl6.3 (H2 O) to Cs3 Ln Cl6 (Ln= La-Nd) and their crystal structures","Journal of Solid State Chemistry","1995","116","","329","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537201","7.091","","13.803","","7.358","","90","","90","","90","","720.18","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","K2 Zr F4 (S O4)","","- F4 K2 O4 S Zr -","- F4 K2 O4 S Zr -","- F16 K8 O16 S4 Zr4 -","4","0.5","","Kuznetsov, V.Ya.; Rogachev, D.L.; Godneva, M.M.","Crystallographic characteristics of several sulfate and fluorosulfate zirconium compounds","Zhurnal Neorganicheskoi Khimii","1994","39","","211","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537513","7.683","","7.426","","4.889","","90","","90","","90","","278.937","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","(Mo O2) (P O3)2","","- Mo O8 P2 -","- Mo O8 P2 -","- Mo2 O16 P4 -","2","0.25","","Kierkegaard, P.","On the crystal structure of Mo O2 (P O3)2","Arkiv foer Kemi","1961","18","","521","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541183","3.024","","9.7996","","9.5564","","90","","90","","90","","283.194","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Mn3 O4 -","- Mn3 O4 -","- Mn12 O16 -","4","0.5","","Ross, C.R.; Rubie, D.C.; Paris, E.","Rietveld refinement of the high-pressure polymorph of Mn3 O4","American Mineralogist","1990","75","","1249","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541507","18.7122","","20.9653","","57.34","","90","","90","","90","","22494.9","","","","","","","","","","","","","8","P b c m","-P 2c 2b","57","","(K36 Cl2 (H2 O)11 (C H3 O H)32) (Sn Se4) (Co4 Se (Sn Se4)4)3","","- C32 H150 Cl2 Co12 K36 O43 Se55 Sn13 -","- C32 Cl2 Co12 K36 O43 Se55 Sn13 -","- C128 Cl8 Co48 K144 O172 Se220 Sn52 -","4","0.5","","Melullis, M.; Zimmermann, C.; Dehnen, S.; Anson, C.E.","(K36 (mue6-Cl)2 (H2 O)11 (Me O H)32) (Sn Se4) (Co4 (mue4-Se) (Sn Se4)4)3 : synthesis and crystal structure of a novel compound containing ternary (Co4 (mue4-Se) (Sn Se4)4)(10-) anions and a novel ((mue6-Cl)2 K9)(7+) coordination aggregate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2325","2329","","","","","","","","","","","","","","","","","","","","","","has coordinates","172850","2020-10-21","18:00:00",""
"1542860","12.6641","0.0014","26.23","0.003","35.269","0.004","90","","90","","90","","11716","2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C44 H40 Ag2 N12 O8 -","- C44 H40 Ag2 N12 O8 -","- C352 H320 Ag16 N96 O64 -","8","1","","Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong","Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution","IUCrJ","2014","1","5","318","327","10.1107/S2052252514015966","","","0.71073","MoKα","","0.1714","0.1008","","","0.2135","0.2328","","","","","","1.015","","","","has coordinates,has disorder","178188","2020-10-21","18:00:00",""
"1544430","11.4155","0.0007","5.355","0.001","5.353","0.001","90","","90","","90","","327.23","0.09","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","LiEuTiO4","","","- Eu Li O4 Ti -","- Eu Li O4 Ti -","- Eu4 Li4 O16 Ti4 -","4","0.5","","Toda, K.; Kurita, S.; Sato, M.","New layered perovskite compounds, LiLa2TiO4 and LiEuTiO4","Journal of the Ceramic Society of Japan","1996","104","","140","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","187736","2020-10-21","18:00:00",""
"1544711","8.9422","0.0003","17.1851","0.0006","20.8463","0.0008","90","","90","","90","","3203.5","0.2","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","FePY5Me2Cl_PF6","","- C29 H25 Cl F6 Fe N5 P -","- C29 H25 Cl F6 Fe N5 P -","- C116 H100 Cl4 F24 Fe4 N20 P4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0981","0.0584","","","0.1566","0.1904","","","","","","1.111","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544712","8.9368","0.0013","17.315","0.003","20.91","0.003","90","","90","","90","","3235.6","0.9","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","RuPY5Me2Cl_PF6","","- C29 H25 Cl F6 N5 P Ru -","- C29 H26 Cl F6 N5 P Ru -","- C116 H104 Cl4 F24 N20 P4 Ru4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0353","0.0315","","","0.0712","0.0735","","","","","","1.085","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544713","8.978","0.002","17.366","0.005","20.947","0.006","90","","90","","90","","3265.9","1.5","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","OsPY5Me2Cl_PF6","","- C29 H25 Cl F6 N5 Os P -","- C29 H25 Cl F6 N5 Os P -","- C116 H100 Cl4 F24 N20 Os4 P4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0214","0.019","","","0.0485","0.0493","","","","","","1.075","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1545064","5.0073","0.0001","5.2276","0.0001","5.058","0.0001","90","","90","","90","","132.399","0.005","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","HfO2 ortho I phase","","","- Hf O2 -","- Hf O2 -","- Hf4 O8 -","4","0.5","","Suyama, R.; Horiuchi, H.; Kume, S.","Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa","Yogyo-Kyokai-Shi","1987","95","","567","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","190678","2020-10-21","18:00:00",""
"1545065","5.0367","0.0001","5.2546","0.0001","5.0855","0.0001","90","","90","","90","","134.592","0.005","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","ZrO2 ortho I phase","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","0.5","","Suyama, R.; Horiuchi, H.; Kume, S.","Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa","Yogyo-Kyokai-Shi","1987","95","","567","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","190679","2020-10-21","18:00:00",""
"1547549","9.5747","0.0003","17.4837","0.0005","21.917","0.0008","90","","90","","90","","3668.9","0.2","150","2","150","2","","","","","","","synthesis as described","4","P b c m","-P 2c 2b","57","","","","- C38 H55 Si2 Y -","- C38 H55 Si2 Y -","- C152 H220 Si8 Y4 -","4","0.5","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0617","0.0401","","","0.0933","0.102","","","","","","1.02","","","","has coordinates,has disorder","201699","2020-10-21","18:00:00",""
"1548315","26.515","0.002","44.264","0.003","17.7362","0.0014","90","","90","","90","","20816","3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H126 K14 Mo34 O148 S24 -","- C20 K13.6 Mo34 O147.01 S24 -","- C80 K54.4 Mo136 O588.04 S96 -","4","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1338","0.1173","","","0.2478","0.2556","","","","","","1.223","","","","has coordinates","203778","2020-10-21","18:00:00",""
"1548887","9.5075","0.0004","27.3543","0.0012","28.8412","0.0012","90","","90","","90","","7500.8","0.6","88","2","88","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C208 H216 Ba8 F48 Fe8 N24 O100 S16 -","8","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0849","0.068","","","0.1813","0.195","","","","","","1.025","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548904","14.245","0.002","17.905","0.002","11.3809","0.0009","90","","90","","90","","2902.8","0.6","173","0.1","173","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H32 B2 N Na O5 -","- C27 H24 B2 N Na O5 -","- C108 H96 B8 N4 Na4 O20 -","4","0.5","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.1286","0.0895","","","0.2458","0.2854","","","","","","1.051","","","","has coordinates,has disorder","228636","2020-10-21","18:00:00",""
"1549340","13.1081","0.0013","11.1491","0.0013","7.1798","0.0011","90","","90","","90","","1049.3","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","","- C11 H6 F5 N O -","- C11 H6 F5 N O -","- C44 H24 F20 N4 O4 -","4","0.5","SJ4168","Zhao, Hui","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","IUCrData","2018","3","4","x180445","","10.1107/S2414314618004455","","","0.71073","MoKα","","0.1037","0.0786","","","0.2621","0.2924","","","","","","1.073","","","","has coordinates,has Fobs","207571","2020-10-21","18:00:00",""
"1549724","12.069","0.0005","30.5791","0.0011","36.076","0.002","90","","90","","90","","13314.2","1","150.02","0.1","150.02","0.1","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C15 H9 F7.05 -","- C15 H9 F7.0485 -","- C600 H360 F281.94 -","40","5","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.2122","0.1041","","","0.2713","0.3542","","","","","","1.035","","","","has coordinates,has disorder","228839","2020-10-21","18:00:00",""
"1549780","4.9045","0.0003","11.7945","0.0005","5.8231","0.0002","90","","90","","90","","336.84","0.03","295","1","295","1","","","","","","","","4","P b c m","-P 2c 2b","57","Ammonium metavanadate","Hydroxy(dioxido)vanadium ammoniate","","- H4 N O3 V -","- H4 N O3 V -","- H16 N4 O12 V4 -","4","0.5","WM4083","Pérez-Benítez, Aarón; Bernès, Sylvain","Redetermination of ammonium metavanadate","IUCrData","2018","3","8","","","10.1107/S2414314618010805","","","0.56083","AgKα","","0.019","0.0144","","","0.0403","0.042","","","","","","1.13","","","","has coordinates,has Fobs","209561","2020-10-21","18:00:00",""
"1550356","8.3019","0.0017","16.628","0.003","6.7622","0.0014","90","","90","","90","","933.5","0.3","173","","173","","","","","","","","","4","P b c m","-P 2c 2b","57","","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","0.5","VM4039","Furuya, Tetsundo; Yagi, Shiomi; Yamazaki, Shu; Haraguchi, Tomoyuki; Akitsu, Takashiro; Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","IUCrData","2018","3","12","x181728","","10.1107/S2414314618017285","","","0.71073","MoKα","","0.0667","0.0647","","","0.2054","0.2077","","","","","","1.119","","","","has coordinates,has Fobs","212553","2020-10-21","18:00:00",""
"1550915","17.727","0.004","35.611","0.007","31.733","0.006","90","","90","","90","","20032","7","100","","100","","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C36.25 H63.5 B F4 N9.5 O4 S20 Sn10 -","- C36.25 H62.25 B F4 N9.5 O4 S20 Sn10 -","- C290 H498 B8 F32 N76 O32 S160 Sn80 -","8","1","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.1453","0.05","","","0.1279","0.1463","","","","","","0.645","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1551111","8.5881","0.0003","24.4244","0.0008","11.4808","0.0004","90","","90","","90","","2408.2","0.14","130","2","130","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H28 Co N6 S4 -","- C16 H28 Co N6 S4 -","- C64 H112 Co4 N24 S16 -","4","0.5","","A. A. Bagabasa; M. Alsawalha; M. Sohail; S. Alhoshan; R. Arasheed","Synthesis, crystal structure, and characterization of cyclohexylammonium tetraisothiocyanatocobaltate(II): A single-source precursor for cobalt sulfide and oxide nanostructures","Heliyon","2019","5","","e01139","","10.1016/j.heliyon.2019.e01139","","","1.54178","CuKα","","0.053","0.0473","","","0.131","0.1368","","","","","","1.046","","","","has coordinates,has disorder","215450","2020-10-21","18:00:00",""
"1552739","5.936","0.0002","17.1042","0.0006","30.6034","0.0013","90","","90","","90","","3107.2","0.2","90","0.2","90","0.2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H32 S2 Si2 -","- C36 H32 S2 Si2 -","- C144 H128 S8 Si8 -","4","0.5","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.1005","0.0604","","","0.1506","0.1781","","","","","","1.053","","","","has coordinates,has disorder","223168","2020-10-21","18:00:00",""
"1554648","6.70475","0.00016","13.3306","0.0003","13.1204","0.0003","90","","90","","90","","1172.68","0.05","167","40","167","40","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H14 Br3 N3 O -","- C4 H18 Br3 N3 O -","- C16 H72 Br12 N12 O4 -","4","0.5","","Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He","Electronic structures and elastic properties of a family of metal-free perovskites","Materials Chemistry Frontiers","2019","3","8","1678","","10.1039/C9QM00133F","","x-ray","1.54184","CuKα","","0.0241","0.0237","","","0.0636","0.0639","","","","","","1.071","","","","has coordinates","238023","2020-10-21","18:00:00",""
"1554649","7.064","0.0014","14.089","0.003","13.684","0.003","90","","90","","90","","1361.9","0.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H14 I3 N3 O -","- C4 H18 I3 N3 O -","- C16 H72 I12 N12 O4 -","4","0.5","","Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He","Electronic structures and elastic properties of a family of metal-free perovskites","Materials Chemistry Frontiers","2019","3","8","1678","","10.1039/C9QM00133F","","","0.71073","MoKα","","0.0564","0.0559","","","0.1516","0.1522","","","","","","1.077","","","","has coordinates","238023","2020-10-21","18:00:00",""
"1556964","9.309","0.002","8.4023","0.0014","34.331","0.006","90","","90","","90","","2685.3","0.9","","","293","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C12 H14 N2 O22 Pb4 -","- C12 N2 O22 Pb4 -","- C48 N8 O88 Pb16 -","4","0.5","","Svensson, Goran; Olson, Solveig; Albertsson, Jorgen","Coordination Between Lead and Oxydiacetic Acid","Acta Chemica Scandinavica","1998","52","","868","872","10.3891/acta.chem.scand.52-0868","","x-ray","0.71069","MoKα","","","0.055","","","0.16","","","","","","","1.06","","","","has coordinates","246643","2020-10-21","18:00:00",""
"1558138","8.6463","0.0005","19.4473","0.0012","21.4257","0.0013","90","","90","","90","","3602.7","0.4","100","2","100.01","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H46 Au Mn N2 O6 -","- C36 H46 Au Mn N2 O6 -","- C144 H184 Au4 Mn4 N8 O24 -","4","0.5","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0248","0.0196","","","0.0375","0.0388","","","","","","1.034","","","","has coordinates,has disorder","253894","2020-10-21","18:00:00",""
"1558140","8.6971","0.0006","19.4845","0.0013","21.3902","0.0014","90","","90","","90","","3624.8","0.4","100","2","100","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H46 Ag Mn N2 O6 -","- C36 H46 Ag Mn N2 O6 -","- C144 H184 Ag4 Mn4 N8 O24 -","4","0.5","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0284","0.0239","","","0.059","0.0613","","","","","","1.053","","","","has coordinates,has disorder","253894","2020-10-21","18:00:00",""
"1559156","14.8631","0.0007","32.144","0.002","7.1639","0.0004","90","","90","","90","","3422.6","0.3","100","0.8","100","0.8","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pt -","- C12.5 H12 Fe N10 O0.25 Pt -","- C100 H96 Fe8 N80 O2 Pt8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1159","0.0979","","","0.1933","0.2026","","","","","","1.086","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559159","14.9105","0.0014","32.0213","0.0019","7.161","0.0004","90","","90","","90","","3419","0.4","100","0.14","100","0.14","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pd -","- C12.5 H12 Fe N10 O0.375 Pd -","- C100 H96 Fe8 N80 O3 Pd8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1465","0.1088","","","0.2488","0.2765","","","","","","1.043","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559163","14.9943","0.0008","32.6263","0.0019","7.3615","0.0003","90","","90","","90","","3601.3","0.3","260","0.1","260","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H11.75 Fe N10 O0.5 Pt -","- C12.5 H11.75 Fe N10 O0.25 Pt -","- C100 H94 Fe8 N80 O2 Pt8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.125","0.0869","","","0.1624","0.1846","","","","","","1.058","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559165","15.0184","0.0012","32.5156","0.0018","7.3514","0.0004","90","","90","","90","","3589.9","0.4","260","0.2","260","0.2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pd -","- C12.5 H12 Fe N10 O0.25 Pd -","- C100 H96 Fe8 N80 O2 Pd8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1491","0.0816","","","0.2037","0.2498","","","","","","1.051","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559839","7.113","0.002","9.691","0.003","10.135","0.003","90","","90","","90","","698.6","0.4","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B2 Li Nd O6 Rb2 -","- B2 Li Nd O6 Rb2 -","- B8 Li4 Nd4 O24 Rb8 -","4","0.5","","Chen, Pengyun; Xia, Mingjun; Li, Rukang","Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs)","Zeitschrift für anorganische und allgemeine Chemie","2016","642","5","424","430","10.1002/zaac.201500804","","","0.71073","MoKα","","0.0618","0.0576","","","0.1329","0.1352","","","","","","1.222","","","","has coordinates","260056","2020-12-21","17:56:45",""
"1559840","7.2113","0.0003","9.9621","0.0004","10.3347","0.0004","90","","90","","90","","742.44","0.05","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B2 Cs2 Li Nd O6 -","- B2 Cs2 Li Nd O6 -","- B8 Cs8 Li4 Nd4 O24 -","4","0.5","","Chen, Pengyun; Xia, Mingjun; Li, Rukang","Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs)","Zeitschrift für anorganische und allgemeine Chemie","2016","642","5","424","430","10.1002/zaac.201500804","","","0.71073","MoKα","","0.0167","0.0166","","","0.0382","0.0383","","","","","","1.346","","","","has coordinates","260057","2020-12-21","17:58:27",""
"1560694","6.78","0.002","12.082","0.005","6.403","0.003","90","","90","","90","","524.5","0.4","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H3 N O2 S -","- C4 H3 N O2 S -","- C16 H12 N4 O8 S4 -","4","0.5","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.068","0.0545","","","0.1371","0.1452","","","","","","0.956","","","","has coordinates","262262","2021-02-26","10:39:19",""
"1561365","9.6199","0.0009","14.7172","0.0014","18.3974","0.0018","90","","90","","90","","2604.7","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C23 H15 N3 O5 Zn -","- C23 H15 N3 O5 Zn -","- C92 H60 N12 O20 Zn4 -","4","0.5","","Jin, Jun-Cheng; Guo, Rui-Li; Zhang, Wen-Yan; Jiang, Chen; Wang, Yao-Yu","Luminescent microporous metal‒organic framework with functional Lewis basic sites on the pore surface: Quantifiable evaluation of luminescent sensing mechanisms towards Fe3+","Journal of Solid State Chemistry","2016","243","","253","258","10.1016/j.jssc.2016.05.021","","","0.71073","MoKα","","0.0823","0.0662","","","0.2153","0.2247","","","","","","1.111","","","","has coordinates,has disorder","263443","2021-03-30","09:04:41",""
"1561619","7.036","0.0002","7.5483","0.0002","5.4672","0.0001","90","","90","","90","","290.362","0.012","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","Er3USe8","","","- Er3 Se8 U -","- Er3 Se8 U -","- Er3 Se8 U -","1","0.125","","Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A.","Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8","Journal of Solid State Chemistry","2016","233","","90","94","10.1016/j.jssc.2015.10.003","","","0.71073","MoKα","","0.0093","0.0088","","","0.0208","0.021","","","","","","1.233","","","","has coordinates","264016","2021-04-09","09:11:53",""
"1561620","6.9937","0.0002","7.4807","0.0002","5.4967","0.0002","90","","90","","90","","287.575","0.015","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","Yb3USe8","","","- Se8 U Yb3 -","- Se8 U Yb3 -","- Se8 U Yb3 -","1","0.125","","Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A.","Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8","Journal of Solid State Chemistry","2016","233","","90","94","10.1016/j.jssc.2015.10.003","","","0.71073","MoKα","","0.0139","0.0134","","","0.0315","0.0317","","","","","","1.728","","","","has coordinates","264016","2021-04-09","09:12:03",""
"1561842","12.486","0.002","27.199","0.003","13.881","0.002","90","","90","","90","","4714.1","1.1","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C36 H45 Cl12 I2 N7 -","- C36 H45 Cl12 I2 N7 -","- C144 H180 Cl48 I8 N28 -","4","0.5","","Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik","Bright Luminescent Lithium and Magnesium Carbene Complexes","Chemical Science","2021","","","","","10.1039/D1SC00846C","","","0.71073","MoKα","","0.0589","0.0462","","","0.1236","0.135","","","","","","1.052","","","","has coordinates,has disorder","264220","2021-04-16","01:04:45",""
"1562622","10.5005","0.0004","9.7685","0.0004","14.0216","0.0005","90","","90","","90","","1438.25","0.1","338","2","338","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H14 B3 F12 K N2 -","- C5 H14 B3 F12 K N2 -","- C20 H56 B12 F48 K4 N8 -","4","0.5","","Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite","Chemical Science","2021","","","","","10.1039/D1SC01345A","","","0.77487","synchrotron","","0.0769","0.0678","","","0.22","0.2297","","","","","","1.088","","","","has coordinates,has disorder","265286","2021-05-18","03:08:45",""
"1563184","5.8264","0.0003","16.8397","0.0008","13.8739","0.0007","90","","90","","90","","1361.24","0.12","293","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Pd2 Sn2 Yb3 -","- Pd2 Sn2 Yb3 -","- Pd16 Sn16 Yb24 -","8","1","","Solokha, P.; Čurlik, I.; Giovannini, M.; Lee-Hone, N.R.; Reiffers, M.; Ryan, D.H.; Saccone, A.","Structural and physical properties of the new intermetallic compound Yb3Pd2Sn2","Journal of Solid State Chemistry","2011","184","9","2498","2505","10.1016/j.jssc.2011.07.031","powder diffraction","","","X-ray","","","","","","","","","8.485","","","","","","","","has coordinates","266214","2021-06-07","08:51:55",""
"1564858","7.2769","0.0012","14.884","0.003","16.441","0.003","90","","90","","90","","1780.7","0.6","296","2","296","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C9 H21 Cl2 F6 Mo N3 O P -","- C9 H18 Cl2 F6 Mo N3 O P -","- C36 H72 Cl8 F24 Mo4 N12 O4 P4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0856","0.0693","","","0.2073","0.2321","","","","","","1.107","","","","has coordinates","269823","2021-10-07","07:23:49",""
"1567756","14.4807","0.0002","27.8595","0.0005","18.7836","0.0002","90","","90","","90","","7577.77","0.19","173","0.1","173","0.1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C66.95 H108.34 N0.52 O21.95 V6 -","- C66.958 H108.346 N0.523 O21.955 V6 -","- C267.832 H433.384 N2.092 O87.82 V24 -","4","0.5","","Cooney, Shannon E.; Fertig, Alex A.; Buisch, Madeleine R.; Brennessel, William W.; Matson, Ellen M.","Coordination-induced bond weakening of water at the surface of an oxygen-deficient polyoxovanadate cluster.","Chemical science","2022","13","43","12726","12737","10.1039/d2sc04843d","","x-ray","1.54184","CuKα","","0.0843","0.0644","","","0.1861","0.2032","","","","","","1.038","","","","has coordinates,has disorder","280168","2023-01-06","09:35:35",""
"1568701","4.0674","0.0003","16.0311","0.0008","10.1239","0.0005","90","","90","","90","","660.13","0.07","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","DM-BIM","2-Bromo-4,5-dimethyl-1H-imidazole","","- C5 H7 Br N2 -","- C5 H7 Br N2 -","- C20 H28 Br4 N8 -","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","","0.0382","0.0272","","","0.0716","0.0753","","","","","","1.073","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1571400","9.2665","0.0011","16.7883","0.0016","6.7319","0.0009","90","","90","","90","","1047.3","0.2","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H5.5 N0.5 O -","- C6 H5.5 N0.5 O -","- C48 H44 N4 O8 -","8","1","","Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng","Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.","Chemical science","2024","15","17","6515","6521","10.1039/d4sc01355g","","x-ray","0.71073","MoKα","","0.0687","0.0499","","","0.1216","0.1358","","","","","","1.022","","","","has coordinates,has disorder","291561","2024-05-05","01:34:55",""
"2000322","6.279","0.004","7.306","0.005","11.177","0.007","90","","90","","90","","512.7","0.6","","","","","","","","","","","","4","P b c m","","","","","","- La2 O4 Se Si -","- La2 O4 Se Si -","- La8 O16 Se4 Si4 -","4","0.5","ST0474","Brennan, T. D.; Ibers, J. A.","Lanthanum orthosilicate selenide, La~2~SeSiO~4~","Acta Crystallographica Section C","1991","47","5","1062","1064","10.1107/S010827019001201X","","","0.7093","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000688","9.328","0.001","19.348","0.003","25.939","0.005","90","","90","","90","","4681.4","1.3","","","","","","","","","","","","3","P b c m","","","","","","- C53 H68 O5 -","- C54 H47 O5 -","- C216 H188 O20 -","4","0.5","AS0555","Armah, A. E.; Suzuki, K.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.","Structure of <i>p</i>-<i>tert</i>-butylbishomooxacalix[4]arene-<i>m</i>-xylene (1:1) complex","Acta Crystallographica Section C","1992","48","8","1474","1476","10.1107/S0108270192000179","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001382","7.851","0.002","15.851","0.003","26.854","0.003","90","","90","","90","","3341.9","1.1","293","","","","","","","","","","","6","P b c m","-P 2c 2b","","","μ-oxamidato-bis-[1,4,7-trimethyl-1,4,7-triazacyclononane copper(II)] (triiodide)(iodide)","","- C20 H44 Cu2 I4 N8 O2 -","- C20 H42 Cu2 I4 N6 O4 -","- C80 H168 Cu8 I16 N24 O16 -","4","0.5","SH1044","Flörke, U.; Haupt, H.-J.; Karpenstein, I.; Chaudhuri, P.","Ring cleavage of imidazole to oxamide by reaction with dioxygen in the presence of a Cu^I^‒amine complex. Structure of μ-oxamidato-bis[(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II)] triiodide iodide","Acta Crystallographica Section C","1993","49","9","1625","1627","10.1107/S0108270193002562","","","0.71073","MoKα","","","0.06","","","0.045","","","","","1.622","1.622","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002170","11.897","0.002","14.168","0.003","10.147","0.003","90","","90","","90","","1710.3","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","$-mue3-seleno-tri-$-mue-diseleno-hexachlorotrirhenium(V) chloride *","","- Cl7 Re3 Se7 -","- Cl7 Re3 Se7 -","- Cl28 Re12 Se28 -","4","0.5","","Beck, J; Mueller-Buschbaum, K","Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3E7X7 (E=S,Se; X=Cl,Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1212","1216","10.1002/(SICI)1521-3749(199907)625:7<1212::AID-ZAAC1212>3.0.CO;2-0","","","","","","0.0339","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004207","4.663","0.001","13.275","0.002","20.551","0.003","90","","90","","90","","1272.1","0.4","296","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","0.5","BK1105","Lalancette, R. A.; Thompson, H. W.; Coté, M. L.","<i>cis</i>-2-Oxo-1,3-cyclohexanedipropionic Acid: Structure and Hydrogen-Bonding Pattern of a δ-Keto 1,9-Diacid","Acta Crystallographica Section C","1995","51","12","2617","2619","10.1107/S0108270195008493","","","0.71073","MoKα","","","0.049","","","0.053","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004749","10.75","0.003","14.477","0.006","6.875","0.003","90","","90","","90","","1069.9","0.7","295","","","","","","","","","","","4","P b c m","-P 2c 2b","","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.054","","","0.054","","","","","0.88","0.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005564","8.021","0.002","16.864","0.003","8.311","0.002","90","","90","","90","","1124.2","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","catena-((μ~2~-succinato)(diethylenetriamine)copper(II))","","- C8 H17 Cu N3 O4 -","- C8 H17 Cu N3 O4 -","- C32 H68 Cu4 N12 O16 -","4","0.5","AB1387","Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.","<i>catena</i>-Poly[[(diethylenetriamine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","1996","52","11","2689","2691","10.1107/S0108270196008505","","","0.71069","MoKα","","0.0414","0.0279","","0.089","0.0685","","","","1.163","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006585","9.134","0.001","12.328","0.001","10.314","0.001","90","","90","","90","","1161.4","0.19","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","titanium endo-isodicyclopentadienide trichloride","(η^5^-endo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","0.5","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.038","","","","0.03","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009042","8.668","0.004","18.944","0.002","18.196","0.001","90","","90","","90","","2987.9","1.4","296.2","","296.2","","","","","","","","","6","P b c m","-P 2c 2b","57","","tetrakis(isopropylthio)-p-benzoquinonesilver(I) perchlorate","","- C21 H34 Ag Cl O7 S4 -","- C21 H34 Ag Cl O7 S4 -","- C84 H136 Ag4 Cl4 O28 S16 -","4","0.5","OB1009","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu","A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1999","55","10","1623","1625","10.1107/S0108270199005624","","","0.7107","MoKα","","0.193","0.0698","","","","0.1899","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009194","10.9776","0.0001","14.0734","0.0002","17.3262","0.0002","90","","90","","90","","2676.76","0.05","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","11-carboxylatomethyl-15-carboxymethyl- 11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^octacosa- 4,6,8,17,19,21,25,27-octene bromide","","- C27 H31 Br N2 O6 S -","- C27 H31 Br N2 O6 S -","- C108 H124 Br4 N8 O24 S4 -","4","0.5","SK1313","Yin-Han Zhang; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yu-Peng Tian; Fu-Xin Xie; Zu-Yao Chen","11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^]octacosa-4,6,8,17,19,21,25,27-octaene bromide","Acta Crystallographica Section C","1999","55","11","1839","1841","10.1107/S0108270199009117","","","0.71073","MoKα","","0.075","0.057","","","","0.182","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2011882","3.1546","0.0006","9.988","0.002","9.6769","0.0019","90","","90","","90","","304.9","0.1","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","Calcium dimanganese Oxide","Calcium dimanganese(III) Oxide","","- Ca Mn2 O4 -","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","4","0.5","IZ1001","Giesber, Henry G.; Pennington, William T.; Kolis, Joseph W.","Redetermination of CaMn~2~O~4~","Acta Crystallographica Section C","2001","57","4","329","330","10.1107/S0108270100011367","","","0.71073","MoKα","","0.0225","0.0224","","0.0515","","0.0515","","","1.332","","","1.332","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013491","5.9425","0.0018","12.436","0.002","14.999","0.002","90","","90","","90","","1108.4","0.4","298","2","298","2","","","","","","","","3","P b c m","-P 2c 2b","57","","cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic acid","","- C10 H12 O8 -","- C10 H12 O8 -","- C40 H48 O32 -","4","0.5","OB1124","Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami","<i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride","Acta Crystallographica Section C","2003","59","8","o435","o438","10.1107/S0108270103013362","","","1.54178","CuKα","","0.047","0.0407","","","0.1087","0.113","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013543","7.743","0.001","14.94","0.003","6.523","0.001","90","","90","","90","","754.6","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","2-Chloro-4,6-dimethoxy-1,3,5-triazine","","- C5 H6 Cl N3 O2 -","- C5 H6 Cl N3 O2 -","- C20 H24 Cl4 N12 O8 -","4","0.5","AV1154","Natalya Fridman; Moshe Kapon; Menahem Kaftory","2-Chloro-4,6-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o685","o686","10.1107/S0108270103024569","","","0.71073","MoKα","","0.0526","0.0305","","","0.0712","0.0748","","","","","","0.894","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013730","7.714","0.002","9.833","0.002","6.679","0.001","90","","90","","90","","506.61","0.18","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","5-Methylsulfanyl-1H-tetrazole (β-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0481","0.0311","","","0.0654","0.0668","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014530","6.3647","0.0006","7.2807","0.0007","11.2743","0.001","90","","90","","90","","522.45","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate telluride","Dicerium orthosilicate telluride","","- Ce2 O4 Si Te -","- Ce2 O4 Si Te -","- Ce8 O16 Si4 Te4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0237","0.0225","","","0.0561","0.0567","","","","","","1.339","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014531","6.225","0.0006","7.2354","0.0007","11.0739","0.001","90","","90","","90","","498.77","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate selenide","Dicerium orthosilicate selenide","","- Ce2 O4 Se Si -","- Ce2 O4 Se Si -","- Ce8 O16 Se4 Si4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0221","0.0211","","","0.0583","0.0586","","","","","","1.492","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015264","8.36","0.01","7.292","0.008","12.95","0.005","90","","90","","90","","789.4","1.3","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Dichloro(propane-1,3-diamine-κ^2^N,N')platinum(II)","","- C3 H10 Cl2 N2 Pt -","- C3 H10 Cl2 N2 Pt -","- C12 H40 Cl8 N8 Pt4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.016","","","","0.042","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015265","8.386","0.007","7.167","0.005","12.88","0.01","90","","90","","90","","774.1","1","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","dichloro(propane-1,3-diamine-κ^2^N,N')palladium(II)","","- C3 H10 Cl2 N2 Pd -","- C3 H10 Cl2 N2 Pd -","- C12 H40 Cl8 N8 Pd4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.017","","","","0.043","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016407","6.1299","0.0011","10.7515","0.0018","23.901","0.004","90","","90","","90","","1575.2","0.5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","sodium cacodylate trihydrate","penta-μ-aqua-disodium(I) bis(dimethylarsenate)","","- C2 H11 As Na O4.5 -","- C2 H11 As Na O4.5 -","- C16 H88 As8 Na8 O36 -","8","1","SF3063","Lennartson, Anders; Håkansson, Mikael","Investigation of commercial sodium cacodylate trihydrate: penta-μ-aqua-disodium(I) bis(dimethylarsenate) and di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)","Acta Crystallographica Section C","2008","64","1","m13","m16","10.1107/S0108270107055151","","","0.71073","MoKα","","0.0378","0.0326","","","0.0646","0.0667","","","","","","1.178","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2017101","5.1733","0.0003","13.1797","0.0007","16.1108","0.0009","90","","90","","90","","1098.48","0.11","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","Lithium zinc(II) pyrophosphate","dilithium(I) trizinc(II) bis[diphosphate(4-)]","","- Li2 O14 P4 Zn3 -","- Li2 O14 P4 Zn3 -","- Li8 O56 P16 Zn12 -","4","0.5","LG3007","Ji, Lina; Ma, Hongwei; Liang, Jingkui","Lithium zincopyrophosphate, Li~2~Zn~3~(P~2~O~7~)~2~","Acta Crystallographica Section C","2009","65","5","i30","i32","10.1107/S0108270109011457","","","0.71073","MoKα","","0.0248","0.0226","","","0.0619","0.0629","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017940","8.742","0.002","9.403","0.003","17.979","0.003","90","","90","","90","","1477.9","0.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Caesium aluminium dizirconium tetrakis[phosphate(V)]","","- Al Cs O16 P4 Zr2 -","- Al Cs O16 P4 Zr2 -","- Al4 Cs4 O64 P16 Zr8 -","4","0.5","KU3036","Zhao, Dan; Li, Fei-Fei; Zhang, Ai-Yun; Yang, Lei; Zhu, Rui","CsAlZr~2~(PO~4~)~4~: an anhydrous aluminium zirconium phosphate with a novel three-dimensional framework","Acta Crystallographica Section C","2011","67","1","i4","i6","10.1107/S0108270110050535","","","0.71073","MoKα","","0.0295","0.0279","","","0.0665","0.0675","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018034","9.7061","0.0015","17.855","0.003","10.4555","0.0016","90","","90","","90","","1812","0.5","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","<i>tert</i>-butylarsenium(V) tri-μ-chlorido-bis[trichloridotitanium(IV)]","","- C4 H12 As Cl9 Ti2 -","- C4 H12 As Cl9 Ti2 -","- C16 H48 As4 Cl36 Ti8 -","4","0.5","GG3254","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands","Acta Crystallographica Section C","2011","67","4","m96","m99","10.1107/S0108270111006639","","","0.71073","MoKα","","0.0638","0.0407","","","0.0766","0.0809","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018425","8.6346","0.0005","21.6152","0.0012","13.6021","0.0008","90","","90","","90","","2538.7","0.3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","dichlorido-2κ^2^<i>Cl</i>-μ-oxido-κ^2^<i>O</i>:<i>O</i>-tetraoxido- 1κ^2^<i>O</i>,2κ^2^<i>O</i>-[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- 1κ<i>N</i>^2^)methane]dimolybdenum(IV) acetonitrile monosolvate","","- C18 H25 Cl2 Mo2 N7 O5 -","- C18 H25 Cl2 Mo2 N7 O5 -","- C72 H100 Cl8 Mo8 N28 O20 -","4","0.5","SK3427","Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane","Acta Crystallographica Section C","2012","68","3","m73","m75","10.1107/S0108270112004507","","","0.71073","MoKα","","0.0459","0.0381","","","0.1075","0.1146","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018750","11.3011","0.0003","19.276","0.0004","6.6725","0.0002","90","","90","","90","","1453.54","0.07","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Diethyl 2-[(2-hydroxyanilino)methylidene]malonate","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","0.5","FN3116","Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran","Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates","Acta Crystallographica Section C","2013","69","1","70","73","10.1107/S0108270112047257","","","0.71073","MoKα","","0.0699","0.0487","","","0.1369","0.1543","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018761","6.091","0.002","11.622","0.004","16.8","0.005","90","","90","","90","","1189.3","0.7","93","2","93","1","","","","","","","","5","P b c m","-P 2c 2b","57","Triammonium formatotetraperoxidodimolybdate","Triammonium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H13 Mo2 N3 O13 -","- C H13 Mo2 N3 O13 -","- C4 H52 Mo8 N12 O52 -","4","0.5","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0189","0.0176","","","0.0427","0.0434","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018873","7.021","","17.218","","10.952","","90","","90","","90","","1323.96","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pb4 O (Pb2 (B O3)3 Cl)","","- B3 Cl O10 Pb6 -","- B3 Cl O10 Pb6 -","- B12 Cl4 O40 Pb24 -","4","0.5","","Behm, H.","Hexalead Chloride Triorthoborate Oxide, Pb4 O (Pb2 (B O3)3 Cl)","Acta Crystallographica C (39,1983-)","1983","39","","1317","1319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019897","4.1667","0.0004","12.6657","0.0011","20.3238","0.0018","90","","90","","90","","1072.57","0.17","120","","120","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pyrimidin-2-amine‒glutaric acid (1/1)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","0.5","LG3157","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0665","0.054","","","0.1364","0.149","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020051","8.4892","0.0001","12.1555","0.0002","12.0631","0.0002","90","","90","","90","","1244.8","0.03","300","2","299.93","","","","","","","","","6","P b c m","-P 2c 2b","57","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C24 H72 Cl4 Co4 N24 O16 -","4","0.5","LG3170","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0201","0.0193","","","0.0521","0.0529","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","152106","2020-10-21","18:00:00",""
"2020063","7.7042","0.0015","14.457","0.003","17.549","0.004","90","","90","","90","","1954.6","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Poly[4-dimethylamino-1-ethylpyridin-1-ium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C15 H15 Cd N11 -","- C15 H15 Cd N11 -","- C60 H60 Cd4 N44 -","4","0.5","YO3009","Wang, Hui-Ting; Zhou, Lin; Wang, Xiao-Li","A two-dimensional anionic Cd^II^ polymer constructed through dicyanamide coordination bridges","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013315","","","0.71073","MoKα","","0.0602","0.0448","","","0.0923","0.0982","","","","","","1.188","","","","has coordinates,has Fobs","152267","2020-10-21","18:00:00",""
"2020315","7.2703","0.0004","14.6512","0.0007","13.8246","0.0009","90","","90","","90","","1472.58","0.14","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)]","","- C10 H13 Co Cu N8 O -","- C10 H13 Co Cu N8 O -","- C40 H52 Co4 Cu4 N32 O4 -","4","0.5","KY3089","Qin, Ying-Lian; Yao, Chen-Zhong; Yang, Bin-Wu; Qin, Jian-Fang; Gong, Qiao-Juan","Synthesis, crystal structure and magnetic properties of a two-dimensional cyanide-based heterometallic coordination polymer with cationic piperazinium ligands: poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)]","Acta Crystallographica Section C","2016","72","1","21","27","10.1107/S2053229615021361","","","0.71073","MoKα","","0.0344","0.0316","","","0.1055","0.1078","","","","","","1.103","","","","has coordinates,has Fobs","176626","2020-10-21","18:00:00",""
"2020990","8.8317","0.0014","24.261","0.003","6.9706","0.0014","90","","90","","90","","1493.6","0.4","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","","(<i>E</i>)-1-<i>tert</i>-butyl-5-[(4-chlorobenzylidene)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H16 Cl N3 -","- C16 H16 Cl N3 -","- C64 H64 Cl4 N12 -","4","0.5","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.056","0.049","","","0.1325","0.1393","","","","","","1.088","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2102807","8.047","0.002","13.998","0.003","19.558","0.002","90","","90","","90","","2203.1","0.8","299","2","299","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Br5 Cs2 Eu H20 O10 -","- Br5 Cs2 Eu H20 O10 -","- Br20 Cs8 Eu4 H80 O40 -","4","0.5","WS5050","Ehrenberg, Helmut; Fuess, Hartmut; Hesse, Sabine; Zimmermann, Joerg; von Seggern, Heinz; Knapp, Michael","Structures of CsEuBr~3~ and its degradation product Cs~2~EuBr~5~·10H~2~O","Acta Crystallographica Section B","2007","63","2","201","204","10.1107/S0108768106049032","","","0.71073","MoKα","","0.1504","0.0542","","","0.0795","0.0978","","","","","","0.928","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2103143","6.638","0.001","8.309","0.002","28.776","0.006","90","","90","","90","","1587.1","0.6","110","2","110","2","","","","","","","","4","P b c m","-P 2c 2b","57","[Bis(ethylenedithio)tetrathiafulvalene] thiocyanate 1:0.77","","","- C10.77 H8 N0.77 S8.77 -","- C10.7 H8 N0.808 S8.771 -","- C42.8 H32 N3.232 S35.084 -","4","0.5","AV0048","Kazheva, Olga N.; Canadell, Enric; Aleksandrov, Grigorii G.; Kushch, Nataliya D.; Dyachenko, Oleg A.","Quasi-three-dimensional network of molecular interactions and electronic structure of a new organic semiconductor, ET(NCS)~0.77~","Acta Crystallographica Section B","2002","58","1","148","152","10.1107/S0108768101019322","","","0.71069","MoKα","","0.0654","0.0569","","","0.1348","0.1412","","","","","","0.884","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104984","8.341","0.002","26.389","0.005","15.145","0.003","90","","90","","90","","3333.6","1.2","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C34 H15 F20 O4 Ta -","- C34 H15 F20 O4 Ta -","- C136 H60 F80 O16 Ta4 -","4","0.5","ZB5019","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol","Acta Crystallographica Section B","2011","67","5","416","424","10.1107/S0108768111029259","","","0.71073","MoKα","","0.0813","0.0451","","","0.0888","0.1006","","","","","","1.013","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2106954","7.379","","5.574","","15.19","","90","","90","","90","","624.773","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Ta2 S","","- S Ta2 -","- S Ta2 -","- S12 Ta24 -","12","1.5","","Franzen, H.F.; Smeggil, J.G.","The Crystal Structure of Ta2 S","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1736","1741","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107249","11.868","","11.851","","16.752","","90","","90","","90","","2356.13","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","1","","Iizumi, M.; Koetzle, T.F.; Chikazumi, S.; Shirane, G.; Matsui, M.; Todo, S.","Structure of magnetite (Fe3 O4) below the Verwey transition temperature","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2121","2133","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200409","9.891","0.002","15.443","0.001","20.664","0.002","90","","90","","90","","3156.4","0.7","296.2","","","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C26 H24 Cd2 Cl2 N4 O9 -","- C26 H18 Cd2 Cl2 N4 O9 -","- C104 H72 Cd8 Cl8 N16 O36 -","4","0.5","CF6068","Odoko, Mamiko; Isomoto, Noriko; Okabe, Nobuo","Di-μ-chloro-bis[(2-pyridinecarboxylato-<i>N,O</i>)(2-pyridinecarboxylic acid-<i>N,O</i>)cadmium(II)] ethanol solvate","Acta Crystallographica Section E","2001","57","8","m371","m372","10.1107/S1600536801011904","","","0.7107","MoKα","","","0.0352","","","","0.1059","","","","","","1.579","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203316","4.6375","0.0006","11.4064","0.0019","7.1965","0.0011","90","","90","","90","","380.67","0.1","170","2","170","2","","","","","","","","4","P b c m","-P 2c 2b","57","mercuric hydroxide chlorate","mercury(II) hydroxide chlorate(V)","","- Cl H Hg O4 -","- Cl H Hg O4 -","- Cl4 H4 Hg4 O16 -","4","0.5","","Göbbels, Dirk; Wickleder, Mathias S.","Redetermination of mercury(II) hydroxide chlorate(V)","Acta Crystallographica, Section E","2004","60","3","i40","i41","10.1107/S1600536804002648","","","0.71073","MoKα","","0.0269","0.0195","","","0.0406","0.0427","","","","","","0.967","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2208465","10.4696","0.0009","12.6989","0.0011","7.2309","0.0006","90","","90","","90","","961.37","0.14","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Diammine[pyridine-2,6-dicarboxylato-κ^3^N,O,O']zinc(II)","","- C7 H9 N3 O4 Zn -","- C7 H9 N3 O4 Zn -","- C28 H36 N12 O16 Zn4 -","4","0.5","XU6111","Xiang, Jing; Lin, Xiang-Cheng","Diammine[pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^]zinc(II)","Acta Crystallographica Section E","2006","62","3","m593","m594","10.1107/S1600536806004557","","","0.71073","MoKα","","0.031","0.028","","","0.072","0.074","","","","","","1.158","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208501","12.921","0.0004","6.345","0.0009","12.503","0.0009","90","","90","","90","","1025.04","0.17","298","2","298","2","","","","","","","","3","P b c m","-P 2c 2b","57","","lanthanum palladium triantimony","","- La Pd Sb3 -","- La Pd Sb3 -","- La8 Pd8 Sb24 -","8","1","BR2001","Thomas, Evan Lyle; Gautreaux, Dixie P.; Chan, Julia Y.","The layered intermetallic compound LaPdSb~3~","Acta Crystallographica Section E","2006","62","4","i96","i98","10.1107/S1600536806009421","","","0.71073","MoKα","","0.09","0.0454","","","0.0893","0.1009","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210125","7.9181","0.0003","30.848","0.002","6.3894","0.0004","90","","90","","90","","1560.66","0.15","292","2","292","2","","","","","","","","5","P b c m","-P 2c 2b","57","","3-nitrophenylanilinium perchlorate‒3-nitroaniline (1/1)","","- C12 H13 Cl N4 O8 -","- C12 H13 Cl N4 O8 -","- C48 H52 Cl4 N16 O32 -","4","0.5","BT2172","Bao, Feng; Chen, Ying; Ng, Seik Weng","A cocrystal of 3-nitrophenylanilinium perchlorate and 3-nitroaniline","Acta Crystallographica Section E","2006","62","9","o4186","o4187","10.1107/S1600536806033873","","","0.71073","MoKα","","0.068","0.065","","","0.194","0.196","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211616","7.237","0.002","23.877","0.006","13.848","0.008","90","","90","","90","","2392.9","1.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","catena-Poly[[[aqua(pyrazino[2,3-f][1,10]phenanthroline-κ^2^N,N')copper(II)]- μ-isophthalato-κ^2^O:O'] N,N-dimethylformamide solvate monohydrate]","","- C25 H23 Cu N5 O7 -","- C25 H23 Cu N5 O7 -","- C100 H92 Cu4 N20 O28 -","4","0.5","SJ2148","Guang-Bo Che; Zhan-Lin Xu; Ng, Seik Weng","<i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate monohydrate]","Acta Crystallographica Section E","2006","62","12","m3197","m3199","10.1107/S1600536806045107","","","0.71073","MoKα","","0.055","0.038","","","0.1","0.107","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213992","6.5783","0.0001","12.8191","0.0002","18.4454","0.0003","90","","90","","90","","1555.46","0.04","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[hydronium [μ-(ethylenediaminetetraacetato- κ^8^N,N',O,O',O'',O''':O'''',O''''')erbate(III)] monohydrate]","","- C10 H17 Er N2 O10 -","- C10 H12 Er N2 O10 -","- C40 H48 Er4 N8 O40 -","4","0.5","WN2139","You, Xiu-Li; Wang, Li-Hua; Ng, Seik Weng","Poly[hydronium [μ-(ethylenediaminetetraacetato-κ^8^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''':<i>O</i>'''',<i>O</i>''''')erbate(III)] monohydrate]","Acta Crystallographica Section E","2007","63","6","m1713","m1713","10.1107/S1600536807024361","","","0.71073","MoKα","","0.028","0.022","","","0.052","0.055","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213993","6.5924","0.0001","12.845","0.0001","18.4246","0.0002","90","","90","","90","","1560.18","0.03","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[hydronium [μ-(ethylenediaminetetraacetato- κ^8^N,N',O,O',O'',O''':O'''',O''''')holmate(III)] monohydrate]","","- C10 H17 Ho N2 O10 -","- C10 H12 Ho N2 O10 -","- C40 H48 Ho4 N8 O40 -","4","0.5","WN2140","You, Xiu-Li; Wang, Li-Hua; Ng, Seik Weng","Poly[hydronium [μ-(ethylenediaminetetraacetato-κ^8^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''':<i>O</i>'''',<i>O</i>''''')holmate(III)] monohydrate]","Acta Crystallographica Section E","2007","63","6","m1714","m1714","10.1107/S1600536807024373","","","0.71073","MoKα","","0.019","0.017","","","0.045","0.045","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214212","6.6271","0.0003","12.9233","0.0006","18.5496","0.0009","90","","90","","90","","1588.66","0.13","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[hydronium [dysprosium(III)-μ~3~-(ethylenediaminetetraacetato-\ κ^8^N,N',O,O',O'',O''':O'''':O''''')] monohydrate]","","- C10 H17 Dy N2 O10 -","- C10 H12 Dy N2 O10 -","- C40 H48 Dy4 N8 O40 -","4","0.5","HB2422","You, Xiu-Li; Ng, Seik Weng","Poly[hydronium [dysprosium(III)-μ~3~-(ethylenediaminetetraacetato-κ^8^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''':<i>O</i>'''':<i>O</i>''''')] monohydrate]","Acta Crystallographica Section E","2007","63","7","m1819","m1819","10.1107/S1600536807025044","","","0.71073","MoKα","","0.018","0.017","","","0.05","0.05","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215816","8.8554","0.0003","7.8466","0.0003","16.6251","0.0005","90","","90","","90","","1155.19","0.07","120","2","120","2","","","","","","","","6","P b c m","-P 2c 2b","57","","2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate","","- C3 H15 N2 O7.5 P2 Zn -","- C3 H15 N2 O7.5 P2 Zn -","- C12 H60 N8 O30 P8 Zn4 -","4","0.5","BT2549","Holtby, Andrew S.; Harrison, William T. A.","2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate","Acta Crystallographica Section E","2007","63","11","m2779","m2779","10.1107/S1600536807051197","","","0.71073","MoKα","","0.0312","0.0284","","","0.0623","0.0638","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2218556","7.8084","0.0003","8.7109","0.0003","6.0232","0.0001","90","","90","","90","","409.69","0.02","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","<i>N</i>-Hydroxy-<i>N</i>-methylammonium chloride","","- C H6 Cl N O -","- C H6 Cl N O -","- C4 H24 Cl4 N4 O4 -","4","0.5","TK2270","Ng, Seik Weng","<i>N</i>-Hydroxy-<i>N</i>-methylammonium chloride","Acta Crystallographica Section E","2008","64","6","o1059","","10.1107/S160053680801355X","","","0.71073","MoKα","","0.027","0.024","","","0.068","0.07","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218957","12.88","0.003","14.299","0.003","6.6328","0.0014","90","","90","","90","","1221.6","0.5","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","(<i>Z</i>)-3-Ferrocenyl-2-(4-pyridyl)propenenitrile","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","0.5","CS2083","Liu, Yong-Hong; Sun, Gui-You; Liu, Jian-Feng; Ye, Jun; Liu, Xiao-Lan","Methyl 2-[(<i>E</i>)-(4-nitrophenyl)hydrazono]-3-oxobutyrate","Acta Crystallographica Section E","2008","64","8","o1608","","10.1107/S160053680802312X","","","0.71073","MoKα","","0.0761","0.0416","","","0.1016","0.1206","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219944","16.375","0.003","15.313","0.003","6.5176","0.0013","90","","90","","90","","1634.3","0.5","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2-(2<i>H</i>-Tetrazol-5-yl)pyridinium chloride","","- C6 H6 Cl N5 -","- C3 H3 Cl0.5 N2.5 -","- C48 H48 Cl8 N40 -","16","2","NC2115","Dai, Jing; Wen, Xiao-Chun","2-(2<i>H</i>-Tetrazol-5-yl)pyridinium chloride","Acta Crystallographica Section E","2008","64","11","o2113","","10.1107/S1600536808032649","","","0.71073","MoKα","","0.0913","0.0619","","","0.1333","0.1482","","","","","","1.14","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2221679","7.9177","0.0016","30.843","0.006","6.3924","0.0013","90","","90","","90","","1561.1","0.5","290","2","290","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Bis(3-nitroanilinium) sulfate","","- C12 H14 N4 O8 S -","- C12 H14 N4 O8 S -","- C48 H56 N16 O32 S4 -","4","0.5","HB2912","Feng, Lingling; Hou, Yubang; Yong, Xuejian; Bao, Feng","Bis(3-nitroanilinium) sulfate","Acta Crystallographica Section E","2009","65","5","o1086","","10.1107/S1600536809013762","","","0.71073","MoKα","","0.0648","0.0614","","","0.1416","0.1441","","","","","","1.171","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223565","4.537","0.0015","17.729","0.005","9.778","0.002","90","","90","","90","","786.5","0.4","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","","5-<i>p</i>-tolyl-1<i>H</i>-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","0.5","SU2134","Hu, Dong-Yue; Chu, Xiao-Wei; Qu, Zhi-Rong","5-<i>p</i>-Tolyl-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2009","65","10","o2463","","10.1107/S1600536809036411","","","0.71073","MoKα","","0.0598","0.0483","","","0.1088","0.1154","","","","","","1.122","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230161","10.703","0.002","13.472","0.003","15.151","0.003","90","","90","","90","","2184.6","0.8","293","2","293","2","100","","","","","","","6","P b c m","-P 2c 2b","57","","Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate","","- C20 H18 Co F6 N6 P -","- C20 H18 Co F6 N6 P -","- C80 H72 Co4 F24 N24 P4 -","4","0.5","VM2083","Yu, Fan; Li, Bao","Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","5","m566","","10.1107/S1600536811012001","","","0.71073","MoKα","","0.0265","0.0253","","","0.069","0.0698","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234612","11.859","0.002","7.2154","0.0014","19.508","0.004","90","","90","","90","","1669.2","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2-Trifluoromethyl-1<i>H</i>-benzimidazole","","- C8 H5 F3 N2 -","- C8 H5 F3 N2 -","- C64 H40 F24 N16 -","8","1","GO2052","Liu, Ming-Liang","2-Trifluoromethyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","5","o1518","","10.1107/S1600536812017357","","","0.71073","MoKα","","0.1127","0.0707","","","0.1467","0.1676","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235924","7.595","0.0015","12.822","0.003","17.34","0.004","90","","90","","90","","1688.6","0.6","295","2","295","2","","","","","","","","4","P b c m","-P 2c 2b","57","","4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","0.5","MW2074","Xu, Wei; Qi, Jin-Li","4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate","Acta Crystallographica Section E","2012","68","8","o2319","","10.1107/S1600536812029339","","","0.71073","MoKα","","0.0616","0.0416","","","0.1022","0.1182","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236516","10.148","0.0011","11.0016","0.0011","21.183","0.002","90","","90","","90","","2365","0.4","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~4~-3,5,9,11-tetraoxo- 4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10- diido)disilver(I)]","","- C26 H22 Ag2 N6 O4 -","- C26 H22 Ag2 N6 O4 -","- C104 H88 Ag8 N24 O16 -","4","0.5","NG5293","Zhang, Yongmei","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~4~-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido)disilver(I)]","Acta Crystallographica Section E","2012","68","10","m1289","m1290","10.1107/S1600536812039669","","","0.71073","MoKα","","0.0709","0.0338","","","0.0775","0.0935","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236548","8.31","0.0017","17.018","0.003","7.316","0.0015","90","","90","","90","","1034.6","0.4","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2,3,6-Trichloro-5-(trichloromethyl)pyridine","","- C6 H Cl6 N -","- C6 H Cl6 N -","- C24 H4 Cl24 N4 -","4","0.5","PV2577","Zhu, Xue-mei; Pei, Li-jun; Cai, Zhao-sheng; Song, Zhan-qian; Shang, Shi-bin","2,3,6-Trichloro-5-(trichloromethyl)pyridine","Acta Crystallographica Section E","2012","68","9","o2723","","10.1107/S1600536812035404","","","0.71073","MoKα","","0.0558","0.0398","","","0.1107","0.1234","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236765","7.3987","0.0002","14.7348","0.0004","18.7286","0.0004","90","","90","","90","","2041.76","0.09","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Bis(4-aminopyridinium) tetraiodidocadmate monohydrate","","- C10 H16 Cd I4 N4 O -","- C10 H16 Cd I4 N4 O -","- C40 H64 Cd4 I16 N16 O4 -","4","0.5","ZL2495","Sun, Qiaozhen; Liao, Songyi; Yao, Junjun; Wang, Junke; Fang, Qiongjiali","Bis(4-aminopyridinium) tetraiodidocadmate monohydrate","Acta Crystallographica Section E","2012","68","9","m1160","m1161","10.1107/S1600536812034447","","","0.71073","MoKα","","0.0268","0.025","","","0.0634","0.0643","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238707","6.5865","0.0002","17.2263","0.0006","14.7778","0.0006","90","","90","","90","","1676.7","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Natrium selenite pentahydrate","Disodium selenate(IV) pentahydrate","","- H10 Na2 O8 Se -","- H10 Na2 O8 Se -","- H80 Na16 O64 Se8 -","8","1","BT6939","Mereiter, Kurt","Sodium selenite pentahydrate, Na~2~SeO~3~·5H~2~O","Acta Crystallographica Section E","2013","69","11","i77","i78","10.1107/S1600536813028602","","","0.71073","MoKα","","0.0161","0.0154","","","0.0389","0.0391","","","","","","1.068","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239273","8.6775","0.0007","12.4069","0.001","6.1995","0.0005","90","","90","","90","","667.44","0.09","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2-Methyl-4-nitropyridine <i>N</i>-oxide","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","0.5","","Peukert, Max; Seichter, Wilhelm; Weber, Edwin","Redetermination of 2-methyl-4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section E","2014","70","4","o426","o427","10.1107/S1600536814004450","","","0.71073","MoKα","","0.0538","0.0485","","","0.1397","0.1467","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240237","7.9309","0.0014","15.335","0.003","6.7158","0.0012","90","","90","","90","","816.8","0.3","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","1-Methyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C28 H32 N16 S4 -","4","0.5","TK5348","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1-methyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2014","70","12","o1281","","10.1107/S1600536814025239","","","0.71073","MoKα","","0.0517","0.0423","","","0.1173","0.1287","","","","","","1.088","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240994","8.8682","0.0006","9.823","0.0006","6.5427","0.0004","90","","90","","90","","569.95","0.06","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","4-Amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C3 H6 N4 S -","- C3 H6 N4 S -","- C12 H24 N16 S4 -","4","0.5","HB7466","Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher","The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","9","1003","1009","10.1107/S205698901501422X","","","0.71073","MoKα","","0.0383","0.0341","","","0.0812","0.0857","","","","","","1.138","","","","has coordinates,has Fobs","153381","2020-10-21","18:00:00",""
"2242287","16.148","0.013","8.631","0.009","7.674","0.01","90","","90","","90","","1070","2","297","2","297","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate","","- C9 H15 K O3 -","- C9 H15 K O3 -","- C36 H60 K4 O12 -","4","0.5","PK2603","Corfield, Peter W. R.; Kershaw, Richard A.","Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2017","73","9","1357","1362","10.1107/S2056989017011756","","","0.7107","MoKα","","0.0562","0.0341","","","0.0856","0.096","","","","","","1.004","","","","has coordinates,has disorder","199898","2020-10-21","18:00:00",""
"2243048","4.5787","0.0008","23.325","0.005","9.1828","0.0017","90","","90","","90","","980.7","0.3","93","2","93","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[piperazin-1-ium [di-μ-bromido-caesium]]","","- C4 H11 Br2 Cs N2 -","- C4 H11 Br2 Cs N2 -","- C16 H44 Br8 Cs4 N8 -","4","0.5","SU5506","Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms","Acta Crystallographica Section E","2019","75","8","1249","1252","10.1107/S2056989019010375","","","0.71073","MoKα","","0.0216","0.021","","","0.0548","0.0551","","","","","","1.098","","","","has coordinates,has Fobs","217326","2020-10-21","18:00:00",""
"2243049","4.4675","0.0013","23.036","0.007","9.021","0.003","90","","90","","90","","928.4","0.5","93","2","93","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[piperazin-1-ium [di-μ-bromido-rubidium]]","","- C4 H11 Br2 N2 Rb -","- C4 H11 Br2 N2 Rb -","- C16 H44 Br8 N8 Rb4 -","4","0.5","SU5506","Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms","Acta Crystallographica Section E","2019","75","8","1249","1252","10.1107/S2056989019010375","","","0.71073","MoKα","","0.0283","0.0228","","","0.0561","0.0572","","","","","","0.944","","","","has coordinates,has Fobs","217326","2020-10-21","18:00:00",""
"2243979","6.0092","0.0002","13.6227","0.0005","13.4716","0.0005","90","","90","","90","","1102.81","0.07","105","2","105","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Phosphanetricarbonitrile–1,4-diazabicyclo[2.2.2]octane (1/1)","","- C9 H12 N5 P -","- C9 H12 N5 P -","- C36 H48 N20 P4 -","4","0.5","YY2005","Purdy, Andrew P.; Butcher, Ray J.; Klug, Christopher A.","The structures of 1:1 and 1:2 adducts of phosphanetricarbonitrile with 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section E","2021","77","12","1190","1196","10.1107/S2056989021011464","","","0.71073","MoKα","","0.0327","0.0277","","","0.0662","0.0682","","","","","","1.079","","","","has coordinates,has Fobs","271900","2022-01-06","23:06:12",""
"2300462","8.87","","16.48","","19.48","","90","","90","","90","","2847.54","","293","","293","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Ag5 Mg33 -","- Ag5 Mg33 -","- Ag20 Mg132 -","4","0.5","","Samuha, Shmuel; Krimer, Yaakov; Meshi, Louisa","Strategies for full structure solution of intermetallic compounds using precession electron diffraction zonal data","Journal of Applied Crystallography","2014","47","3","1032","1041","10.1107/S1600576714009200","","electron","0.0251","electron","","0.2932","0.2932","","","0.4447","0.4447","","","","0","0","44.99","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2310181","10.06","","19.45","","8.34","","90","","90","","90","","1631.86","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Hg7 K5 -","- Hg7 K5 -","- Hg28 K20 -","4","0.5","","Duwell, E.J.; Baenziger, N.C.","The crystal structure of K5 Hg7","Acta Crystallographica (1,1948-23,1967)","1960","13","","476","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310369","4.684","","9.172","","7.83","","90","","90","","90","","336.39","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Cu C N (N2 H4)","","- C H4 Cu N3 -","- C Cu N3 -","- C4 Cu4 N12 -","4","0.5","","Cromer, D.T.; Roof, R.B.jr.; Larson, A.C.","The Crystal Structure of the Copper(I) Cyanide Hydrazine Complex, Cu C N (N2 H4)","Acta Crystallographica (1,1948-23,1967)","1966","20","","279","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310393","6.259","","7.124","","10.99","","90","","90","","90","","490.034","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (Cr O4) Cl","","- Ca2 Cl Cr O4 -","- Ca2 Cl Cr O4 -","- Ca8 Cl4 Cr4 O16 -","4","0.5","","Greenblatt, M.; Banks, E.; Post, B.","The crystal structures of the spodiosite analogs, Ca2 Cr O4 Cl and Ca2 P O4 Cl","Acta Crystallographica (1,1948-23,1967)","1967","23","","166","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310394","6.185","","6.983","","10.816","","90","","90","","90","","467.141","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (P O4) Cl","","- Ca2 Cl O4 P -","- Ca2 Cl O4 P -","- Ca8 Cl4 O16 P4 -","4","0.5","","Greenblatt, M.; Post, B.; Banks, E.","The crystal structures of the spodiosite analogs, Ca2 Cr O4 Cl and Ca2 P O4 Cl","Acta Crystallographica (1,1948-23,1967)","1967","23","","166","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310433","5.876","","5.476","","4.743","","90","","90","","90","","152.615","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Pb O","","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Leciejewicz, J.","Neutron-diffraction study of orthorhombic lead monoxide","Acta Crystallographica (1,1948-23,1967)","1961","14","","66","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311040","5.891","","5.489","","4.775","","90","","90","","90","","154.403","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Pb O","","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Kay, M.I.","A neutron diffraction study of orthorhombic Pb O","Acta Crystallographica (1,1948-23,1967)","1961","14","","80","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000167","4.6226","0.001","12.6213","0.003","5.0321","0.001","90","","90","","90","","293.59","0.11","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sr (Al D5)","","- Al D5 Sr -","- Al D5 Sr -","- Al4 D20 Sr4 -","4","0.5","","Sato, Toyoto; Takagi, Shigeyuki; Sorby, Magnus H.; Deledda, Stefano; Hauback, Bjorn C.; Orimo, Shin-ichi","Crystal Structural Determination of SrAlD5 with Corner-sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction","Crystals","2018","8","","89","","10.3390/cryst8020089","","","","","","","","","","","","","","","","","","","","","has coordinates","206345","2020-10-21","18:00:00",""
"3000328","2.8202","","9.4378","","9.382","","90","","90","","90","","249.716","","293","","293","","","","","","","","","2","P b c m","-P 2c 2b","57","","iron oxide","","- Fe3 O4 -","- Fe6 O8 -","- Fe12 O16 -","2","0.25","","Paul, Tanmoy","A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses","Scientific Reports","2022","","","4851","","","","","","cuKα","","","","","","","","","11.0044","","","","","","","","has coordinates","277016","2022-07-30","18:30:00",""
"4000248","6.7796","0.0001","17.2821","0.0004","24.6754","0.0006","90","","90","","90","","2891.1","","150","","150","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C16 H24 F4 N2 O15 P2 U3 -","- C16 H24 F4 N2 O15 P2 U3 -","- C64 H96 F16 N8 O60 P8 U12 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm021711u","","","0.71073","MoKα","","","0.0252","","","","0.0589","","","","","","0.9126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000497","7.1959","0.0002","9.7542","0.0003","12.8326","0.0004","90","","90","","90","","900.72","0.05","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Co3 H6 O12 S2 -","- Co3 H6 O12 S2 -","- Co12 H24 O48 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm047790m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000575","12.981","0.003","6.1396","0.0012","5.9926","0.0012","90","","90","","90","","477.6","0.16","295","2","295","2","","","","","","","","3","P b c m","-P 2c 2b","57","ytterbium chromium antimonide","ytterbium chromium triantimonide","","- Cr Sb3 Yb -","- Cr Sb3 Yb -","- Cr4 Sb12 Yb4 -","4","0.5","","Crerar, Shane J.; Deakin, Laura; Mar, Arthur","Structure and Physical Properties of Ternary Antimonide YbCr~3~Sb~3~","Chemistry of Materials","2005","17","10","2780","2784","10.1021/cm0506151","","","0.71073","MoKα","","0.071","0.059","","","0.155","0.1613","","","","","","1.173","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000920","5.3675","0.0001","11.1072","0.0003","14.7787","0.0003","90","","90","","90","","881.07","0.03","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Ca2 Co Fe O5 -","- Ca2 Co Fe O5 -","- Ca16 Co8 Fe8 O40 -","8","1","","Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew P.; Britten, James F.; Cranswick, Lachlan M. D.; Garlea, V. Ovidiu","Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5","Chemistry of Materials","2010","22","21","6008","","10.1021/cm1023025","","","0.71073","MoKα","","0.0668","0.0329","","","0.0767","0.091","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001613","12.2473","0.0005","25.914","","25.9141","0.0009","90","","90","","90","","8224.5","0.4","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H28 Cu4 O24 -","- C37 H20 Cu4 O24 -","- C148 H80 Cu16 O96 -","4","0.5","","Zhuang, Wenjuan; Yuan, Daqiang; Liu, Dahuan; Zhong, Chongli; Li, Jian-Rong; Zhou, Hong-Cai","Robust Metal‒Organic Framework with An Octatopic Ligand for Gas Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation","Chemistry of Materials","2012","24","1","18","","10.1021/cm2008889","","","0.71073","MoKα","","0.1198","0.0508","","","0.0964","0.1066","","","","","","0.735","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001953","7.1443","0.0006","14.051","0.0012","34.143","0.003","90","","90","","90","","3427.4","0.5","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11079_0m","","","- C46 H30 F6 -","- C46 H30 F6 -","- C184 H120 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.1207","0.0952","","","0.2648","0.2828","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001954","7.5317","0.001","14.634","0.002","32.424","0.004","90","","90","","90","","3573.7","0.8","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11008a","","","- C48 H34 F6 -","- C48 H34 F6 -","- C192 H136 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0976","0.0761","","","0.2043","0.2221","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002954","6.7934","0.0007","13.8808","0.0015","18.685","0.002","90","","90","","90","","1762","0.3","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","DD115","di(4-aminopyridine)tetrabromomercurate","","- C10 H16 Br4 Hg N4 O -","- C10 H16 Br4 Hg N4 O -","- C40 H64 Br16 Hg4 N16 O4 -","4","0.5","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.0238","0.0172","","","0.0322","0.0338","","","","","","1.01","","","","has coordinates","220378","2020-10-21","18:00:00",""
"4023191","17.6837","0.0002","20.8217","0.0002","19.9034","0.0002","90","","90","","90","","7328.53","0.13","150","2","150","2","","","","","","","synthesis as described","4","P b c m","-P 2c 2b","57","Badjic 1579","","","- C39 H30 N6 O3 -","- C39 H30 N6 O3 -","- C312 H240 N48 O24 -","8","1","","Zhiqing Yan; Troy McCracken; Shijing Xia; Veselin Maslak; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjič","Supramolecular Catalysis at Work: Diastereoselective Synthesis of a Molecular Bowl with Dynamic Inner Space","Journal of Organic Chemistry","2008","73","","355","363","10.1021/jo701538g","","x-ray","0.71073","MoKα","","0.0989","0.0583","","","0.1599","0.175","","","","","","1.066","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4025138","13.0465","0.001","13.8969","0.001","6.7162","0.0005","90","","90","","90","","1217.69","0.16","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H10 Br N O2 S -","- C12 H10 Br N O2 S -","- C48 H40 Br4 N4 O8 S4 -","4","0.5","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0234","0.0219","","","0.0523","0.0531","","","","","","1.123","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025230","8.8766","0.001","12.1306","0.0012","22.447","0.003","90","","90","","90","","2417.1","0.5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H29 F12 N5 P2 -","- C16 H29 F12 N5 P2 -","- C64 H116 F48 N20 P8 -","4","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0391","0.0317","","","0.0823","0.0879","","","","","","1.018","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4031569","12.9709","","38.72","","21.4221","","90","","90","","90","","10758.9","","","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","K4 Na7 ((Si Fe3 W9 (O H)3 O34)2 (O H)3) O40.8","","- Fe6 H9 K4 Na7 O117.8 Si2 W18 -","- Fe6 K4 Na7 O117.8 Si2 W18 -","- Fe24 K16 Na28 O471.2 Si8 W72 -","4","0.5","","Anderson, T.M.; Ammam, M.; Cao, R.; Neiwert, W.A.; Hardcastle, K.I.; Hill, C.L.; Nadjo, L.; Keita, B.","Structural and Electrochemical Studies of Dimerization and Rotational Isomerization in Multi-Iron Silicotungstates","European Journal of Inorganic Chemistry","2005","2005","","1770","1775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4034658","8.2188","0.0005","19.2559","0.0009","6.6689","0.0004","90","","90","","90","","1055.42","0.1","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C32 H20 Cl4 F12 N4 O8 S4 -","8","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.044","0.0369","","","0.088","0.0941","","","","","","1.107","","","","has coordinates","223135","2020-10-21","18:00:00",""
"4060120","14.4371","0.0013","15.9432","0.0015","6.7245","0.0006","90","","90","","90","","1547.8","0.2","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H8 Au Cl N3 -","- C4 H8 Au Cl N3 -","- C32 H64 Au8 Cl8 N24 -","8","1","","Wang, Harrison M. J.; Vasam, Chandra Sekhar; Tsai, Thomas Y. R.; Chen, Shih-Hua; Chang, A. H. H.; Lin, Ivan J. B.","Gold(I) N-Heterocyclic Carbene and Carbazolate Complexes","Organometallics","2005","24","4","486","493","10.1021/om049221u","","","0.71073","MoKα","","0.177","0.1692","","","0.4129","0.4224","","","","","","1.85","","","","has coordinates","188742","2020-10-21","18:00:00",""
"4060817","9.894","0.002","19.736","0.003","18.098","0.002","90","","90","","90","","3533","1","296.2","","296.2","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C30 H48 Cl Ir3 S4 -","- C30 H48 Cl Ir3 S4 -","- C120 H192 Cl4 Ir12 S16 -","4","0.5","","Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu","Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters","Organometallics","2002","21","4","694","699","10.1021/om0108550","","","0.7107","MoKα","","0.0327","0.0327","","","0.034","0.034","","","","","","1.298","","","","has coordinates","134049","2020-10-21","18:00:00",""
"4061468","8.3304","0.0001","18.5959","0.0002","10.1241","0.0001","90","","90","","90","","1568.34","0.03","133","1","133","1","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C17 H21 N Zr -","- C17 H21 N Zr -","- C68 H84 N4 Zr4 -","4","0.5","","Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R.","Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding","Organometallics","2005","24","13","3163","3171","10.1021/om050192c","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061766","9.8632","0.0004","18.413","0.001","17.507","0.001","90","","90","","90","","3179.4","0.8","170","","170","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C28 H49 N5 Si2 Ti -","- C28 H48.5 N5 Si2 Ti -","- C112 H194 N20 Si8 Ti4 -","4","0.5","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0574","","","0.0434","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4062278","10.9519","0.0011","12.084","0.0012","25.473","0.003","90","0.001","90","0.001","90","0.001","3371.2","0.6","163","2","163","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H49 F3 Si -","- C36 H49 F3 Si -","- C144 H196 F12 Si4 -","4","0.5","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062281","10.9666","0.001","12.1283","0.001","25.463","0.002","90","0.001","90","0.001","90","0.001","3386.8","0.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C18 H25.5 F0.76 I0.14 Si0.36 -","- C18 H25.5 F0.752 Si0.896 -","- C144 H204 F6.016 Si7.168 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4065790","7.2245","0.0019","13.747","0.004","16.602","0.004","90","","90","","90","","1648.8","0.8","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H18 F6 N3 Os P -","- C12 H19 F5.94 N3 Os P -","- C48 H76 F23.76 N12 Os4 P4 -","4","0.5","","Batuecas, María; Esteruelas, Miguel A.; García-Yebra, Cristina; Oñate, Enrique","Redox Isomerization of Allylic Alcohols Catalyzed by Osmium and Ruthenium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Amine or Phosphoramidite Group: X-ray Structure of an η3-1-Hydroxyallyl-Metal-Hydride Intermediate","Organometallics","2010","29","9","2166","","10.1021/om100126t","","","0.71073","MoKα","","0.04","0.0361","","","0.0916","0.0938","","","","","","1.086","","","","has coordinates,has disorder","178550","2020-10-21","18:00:00",""
"4069507","9.2495","0.0018","20.802","0.004","12.514","0.003","90","","90","","90","","2407.8","0.9","180","","180","","","","","","","","synthesis as described","6","P b c m","-P 2c 2b","57","","","","- C25 H29 Cl2 N2 P Ru -","- C25 H29 Cl2 N2 P Ru -","- C100 H116 Cl8 N8 P4 Ru4 -","4","0.5","","Arquier, Damien; Vendier, Laure; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Bastin, Stéphanie; Igau, Alain","Crucial Role of the Amidine Moiety in Methylenamino Phosphine-Type Ligands for the Synthesis of Tethered η6-Arene-η1-PRuthenium(II) Complexes: Experimental and Theoretical Studies","Organometallics","2009","28","17","4945","","10.1021/om900231c","","","0.71073","MoKα","","0.0916","0.0661","","","0.1642","0.1795","","","","","","0.997","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069914","10.956","0.002","24.239","0.005","15.34","0.003","90","","90","","90","","4073.7","1.4","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C28 H61 B10 Cl2 Li O2 Zr -","- C28 H61 B10 Cl2 Li O2 Zr -","- C112 H244 B40 Cl8 Li4 O8 Zr4 -","4","0.5","","Ren, Shikuo; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Zirconium−Carboryne Complexes","Organometallics","2009","28","19","5749","","10.1021/om900504g","","","0.71073","MoKα","","0.1831","0.0628","","","0.1452","0.1833","","","","","","0.957","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4071836","8.4528","0.0003","15.0376","0.0006","23.8627","0.0009","90","","90","","90","","3033.2","0.2","298","2","571","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C25 H39 Cl4 Ir2 N3 O -","- C25 H39 Cl4 Ir2 N3 O -","- C100 H156 Cl16 Ir8 N12 O4 -","4","0.5","","Zanardi, Alessandro; Corberán, Rosa; Mata, José A.; Peris, Eduardo","Homo- and Heterodinuclear Complexes with Triazolyl-diylidene. An Easy Approach to Tandem Catalysts⊥","Organometallics","2008","27","14","3570","","10.1021/om800411v","","x-ray","0.71073","MoKα","","0.0381","0.0297","","","0.0807","0.0854","","","","","","1.183","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4072663","6.1509","0.0003","13.5685","0.0006","13.3136","0.0006","90","","90","","90","","1111.13","0.09","198","2","198","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C10 H20 Os -","- C10 H20 Os -","- C40 H80 Os4 -","4","0.5","","Gross, Christopher L.; Girolami, Gregory S.","Synthesis and Characterization of Osmium Polyhydrides. X-ray Crystal Structures of (C5Me5)OsH5and (C5Me5)2Os2H4","Organometallics","2007","26","1","160","","10.1021/om060920b","","","0.71073","MoKα","","0.0342","0.027","","0.066","","0.0622","","","1.148","","","1.153","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4073486","14.1464","0.0018","20.208","0.002","29.49","0.004","90","","90","","90","","8430.3","1.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","(C4H3S-3)CCAg · 5AgC2F5CO2 · 4H2O","","","- C21 H3 Ag6 F25 O14 S -","- C21 H3 Ag6 F25 O14 S -","- C168 H24 Ag48 F200 O112 S8 -","8","1","","Zhao, Liang; Mak, Thomas C. W.","Silver(I)−Thiophene π Interaction in the Assembly of Coordination Networks with the Supramolecular Synthons R−C⋮C⊃Agn(R = 2- or 3-thienyl;n= 4)†","Organometallics","2007","26","18","4439","","10.1021/om700370p","","","0.71073","MoKα","","0.0914","0.0541","","","0.1473","0.1847","","","","","","1.035","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4074898","6.4292","0.0002","18.6655","0.0004","19.2969","0.0005","90","","90","","90","","2315.71","0.11","143","2","143","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C22 H22 Ag Au P2 -","- C22 H22 Ag Au P2 -","- C88 H88 Ag4 Au4 P8 -","4","0.5","","Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker","Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study","Organometallics","2006","25","4","1004","","10.1021/om050985z","","","0.71073","MoKα","","0.0577","0.0523","","","0.1032","0.1061","","","","","","1.128","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4075690","10.36","0.001","18.713","0.005","23.102","0.003","90","","90","","90","","4478.7","1.4","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C46 H43 Cl4 I O P2 Pd -","- C46 H43 Cl4 I O P2 Pd -","- C184 H172 Cl16 I4 O4 P8 Pd4 -","4","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0975","0.0626","","","0.1417","0.1621","","","","","","1.013","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4077523","8.703","0.0002","19.521","0.0003","12.441","0.0003","90","","90","","90","","2113.62","0.08","293","2","110","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C11 H15 Br0.77 Cl0.23 Mo -","- C11 H15 Br0.774 Cl0.226 Mo -","- C88 H120 Br6.192 Cl1.808 Mo8 -","8","1","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity","Organometallics","2000","19","19","3842","","10.1021/om000329t","","","0.71073","MoKα","","0.0368","0.029","","","0.0641","0.0671","","","","","","1.079","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077699","10.9496","0.0004","12.0899","0.0005","25.4843","0.0009","90","","90","","90","","3373.6","0.2","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H49 F3 Si -","- C36 H49 F3.003 Si -","- C144 H196 F12.012 Si4 -","4","0.5","","Pietschnig, Rudolf; West, Robert; Powell, Douglas R.","Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne","Organometallics","2000","19","14","2724","","10.1021/om990924z","","","0.71073","MoKα","","0.0672","0.0569","","","0.1433","0.1481","","","","","","1.106","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4078100","9.3869","0.0001","16.6437","0.0004","15.1145","0.0003","90","","90","","90","","2361.38","0.08","223","2","223","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H42 Al N Si -","- C20 H42 Al N Si -","- C80 H168 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","","0.0719","0.0561","","","0.1246","0.1358","","","","","","1.038","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4085241","18.2713","0.0007","18.7533","0.0009","16.8241","0.0008","90","","90","","90","","5764.7","0.4","290","2","290","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C22 H62 B22 Hg N2 -","- C22 H62 B22 Hg N2 -","- C88 H248 B88 Hg4 N8 -","4","0.5","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.0622","0.0443","","","0.1437","0.149","","","","","","1.17","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4087580","11.1118","0.0004","18.4875","0.0007","22.6886","0.0008","90","","90","","90","","4660.9","0.3","273","2","273","2","","","","","","","","7","P b c m","-P 2c 2b","57","Pd-NHC complex","","","- C43 H41 Cl4 I3 N2 P2 Pd -","- C43 H41 Cl4 I3 N2 P2 Pd -","- C172 H164 Cl16 I12 N8 P8 Pd4 -","4","0.5","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0733","0.062","","","0.1572","0.1641","","","","","","1.113","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087628","9.0903","0.0004","18.0138","0.0008","22.3303","0.001","90","","90","","90","","3656.6","0.3","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C31 H61 Cl N2 O4 Os P2 -","- C31 H61 Cl N2 O4 Os P2 -","- C124 H244 Cl4 N8 O16 Os4 P8 -","4","0.5","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.0334","0.0269","","","0.052","0.0548","","","","","","1.079","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4100265","10.556","0.002","24.47","0.0013","13.1219","0.0016","90","","90","","90","","3389.3","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C29 H50 B10 N2 O Zr -","- C29 H50 B10 N2 O Zr -","- C116 H200 B40 N8 O4 Zr4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4102155","10.2876","0.0003","13.1974","0.0004","15.9965","0.0005","90","","90","","90","","2171.84","0.11","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C3 H7 B11 Cl12 -","- C3 H7 B11 Cl12 -","- C12 H28 B44 Cl48 -","4","0.5","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","Dialkyl Chloronium Ions","Journal of the American Chemical Society","2010","132","","4062","4063","10.1021/ja100297b","","","0.71073","MoKα","","0.0301","0.0245","","","0.0603","0.0628","","","","","","1.061","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4104184","11.139","0.0003","18.6226","0.0004","21.2712","0.0005","90","","90","","90","","4412.44","0.18","133","2","133","2","","","","","","","","6","P b c m","-P 2c 2b","57","(DIPP-nacnac)Ca(DIPP)N=BH2.THF","","","- C45 H68 B Ca N3 O -","- C45 H68 B Ca N3 O -","- C180 H272 B4 Ca4 N12 O4 -","4","0.5","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.0553","0.0429","","","0.1081","0.1144","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104227","10.1359","0.0002","14.4793","0.0002","19.7264","0.0003","90","","90","","90","","2895.06","0.08","173","","","","","","","","","","LOC ETH Zurich","8","P b c m","-P 2c 2b","57","","","","- C21 H23 Cl6 F3 N2 O3 Pt S -","- C21 H23 Cl6 F3 N2 O3 Pt S -","- C84 H92 Cl24 F12 N8 O12 Pt4 S4 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0511","0.0456","","","0.1552","0.1604","","","","","","1.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104617","12.22","0.002","11.51","0.002","15.874","0.003","90","","90","","90","","2232.7","0.7","253","2","253","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H19 Au F6 N5 P -","- C22 H8 Au F6 N3 P -","- C88 H32 Au4 F24 N12 P4 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0358","0.0317","","","0.0792","0.0808","","","","","","1.073","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4105456","6.1146","0.0003","13.5142","0.001","13.7921","0.001","90","","90","","90","","1139.7","0.13","123.1","","123.1","0.2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cl8 Ga P -","- Cl8 Ga P -","- Cl32 Ga4 P4 -","4","0.5","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0338","","","","0.0376","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106283","10.4204","0.0004","22.6271","0.0008","16.3644","0.0006","90","","90","","90","","3858.5","0.2","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","[(CF3PY5Me2)Co(OH2)](OTf)2","","","- C35 H36 Co F9 N5 O10 S2 -","- C35 H36 Co F9 N5 O10 S2 -","- C140 H144 Co4 F36 N20 O40 S8 -","4","0.5","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0298","0.0262","","","0.0641","0.0667","","","","","","1.099","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4107235","15.5873","0.0006","28.0448","0.0012","21.4267","0.001","90","","90","","90","","9366.5","0.7","120","2","120","2","","","","","","","","8","P b c m","-P 2c 2b","57","4","compound 4 in the manuscript","","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C200 H396 Cl12 F24 Fe12 O24 P48 S8 -","4","0.5","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0749","0.0543","","","0.1783","0.195","","","","","","1.054","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107606","8.6134","0.0003","16.7404","0.0006","12.0404","0.0004","90","","90","","90","","1736.13","0.1","120","2","120","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H24 Cl3 Fe P Si -","- C12 H22 Cl3 Fe P Si -","- C48 H88 Cl12 Fe4 P4 Si4 -","4","0.5","","Dmitry V. Gutsulyak; Lyudmila G. Kuzmina; Judith A. K. Howard; Sergei F. Vyboishchikov; Georgii I. Nikonov","Cp(Pri2MeP)FeH2SiR3: Nonclassical Iron Silyl Dihydride","Journal of the American Chemical Society","2008","130","","3732","3733","10.1021/ja800983n","","","0.71073","MoKα","","0.0573","0.0381","","","0.0892","0.0946","","","","","","1.067","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4112721","7.479","0.005","15.246","0.013","19.93","0.02","90","","90","","90","","2273","3","173","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C52 H120 Br8 N8 Ni8 O8 P8 -","4","0.5","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.083","","","","0.236","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113234","10.5319","0.0002","18.005","0.0005","7.3227","0.0001","90","","90","","90","","1388.58","0.05","143","2","143","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C11 H11 F3 O3 P2 S -","- C11 H11 F3 O3 P2 S -","- C44 H44 F12 O12 P8 S4 -","4","0.5","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0394","0.0374","","","0.0934","0.0947","","","","","","1.06","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113793","9.997","0.002","6.997","0.001","10.332","0.002","90","","90","","90","","722.7","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C3 H10 N2 Te Zn -","- C3 H10 N2 Te Zn -","- C12 H40 N8 Te4 Zn4 -","4","0.5","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0968","0.0527","","","0.1145","0.1253","","","","","","1.172","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4115144","6.5279","0.0013","12.935","0.003","12.849","0.003","90","","90","","90","","1084.9","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H18 Cl3 N3 O -","- C4 H18 Cl3 N3 O -","- C16 H72 Cl12 N12 O4 -","4","0.5","","Colin A. Bremner; Michael Simpson; William T. A. Harrison","New Molecular Perovskites: Cubic C4N2H12.NH4Cl3.H2O and 2-H Hexagonal C6N2H14.NH4Cl3","Journal of the American Chemical Society","2002","124","","10960","10961","10.1021/ja027484e","","","0.71073","MoKα","","0.05","0.0307","","","0.0758","0.0817","","","","","","0.938","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115594","5.957","0.001","15.17","0.001","7.964","0.001","90","","90","","90","","719.69","0.16","193","2","193","2","","","","","","","","3","P b c m","-P 2c 2b","57","Tetrafluorochlorine(V+)hexafluoroantimonate(V+)","","","- Cl F10 Sb -","- Cl F10 Sb -","- Cl4 F40 Sb4 -","4","0.5","","Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau","Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid","Journal of the American Chemical Society","2001","123","","6338","6348","10.1021/ja003347a","","","0.71073","MoKα","","0.0227","0.022","","0.0496","0.0493","","","","1.147","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115861","7.5278","0.0013","8.1269","0.0014","6.0546","0.0011","90","","90","","90","","370.41","0.11","107","2","107","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.32 Dy Te2 -","- Cu0.316 Dy Te2 -","- Cu1.264 Dy4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0278","0.0229","","","0.0555","0.0574","","","","","","0.94","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115862","7.567","0.0015","8.211","0.0016","6.0893","0.0012","90","","90","","90","","378.34","0.13","107","2","107","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.33 Gd Te2 -","- Cu0.328 Gd Te2 -","- Cu1.312 Gd4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.033","0.023","","","0.0451","0.0487","","","","","","0.95","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115863","7.7063","0.0013","8.5882","0.0014","6.3115","0.001","90","","90","","90","","417.72","0.12","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.4 La Te2 -","- Cu0.404 La Te2 -","- Cu1.616 La4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0299","0.0288","","","0.0745","0.075","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115864","7.6349","0.0007","8.398","0.0008","6.1838","0.0006","90","","90","","90","","396.49","0.07","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.37 Nd Te2 -","- Cu0.372 Nd Te2 -","- Cu1.488 Nd4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0208","0.0199","","","0.0484","0.0488","","","","","","1.215","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115865","7.6003","0.001","8.3085","0.0011","6.1412","0.0008","90","","90","","90","","387.8","0.09","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.34 Sm Te2 -","- Cu0.338 Sm Te2 -","- Cu1.352 Sm4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0258","0.0253","","","0.0684","0.0687","","","","","","1.341","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4116172","12.018","0.0014","8.6571","0.0006","13.973","0.002","90","","90","","90","","1453.8","0.3","295","","295","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C13 H15 F3 Mo O3 S -","- C12.5 H14.5 F2.5 Mo0.5 O2.5 S0.5 -","- C50 H58 F10 Mo2 O10 S2 -","4","0.5","","Christoph Balzarek; Timothy J. R. Weakley; David R. Tyler","C-H Bond Activation in Aqueous Solution: Kinetics and Mechanism of H/D Exchange in Alcohols Catalyzed by Molybdocenes","Journal of the American Chemical Society","2000","122","","9427","9434","10.1021/ja001535v","","","0.71073","MoKα","","0.044","0.029","","0.034","","0.033","","","1.51","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116870","13.4268","0.0002","25.8258","0.0001","14.5918","0.0002","90","","90","","90","","5059.82","0.1","213","2","213","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C31 H25 B Cl13 N8 Zr6 -","- C31 H25 B Cl13 N8 Zr6 -","- C124 H100 B4 Cl52 N32 Zr24 -","4","0.5","","Xiaobing Xie; Joseph H. Reibenspies; Timothy Hughbanks","Probing the Coordination Chemistry of [Zr6BCl12]+: A Cluster Especially Amenable to NMR Study","Journal of the American Chemical Society","1998","120","","11391","11400","10.1021/ja981736n","","","0.71073","MoKα","","0.1046","0.0625","","0.1228","0.1038","","","","1.206","1.244","1.244","","","","","has coordinates,has disorder","178939","2020-10-21","18:00:00",""
"4117902","4.6377","0.0003","8.0574","0.0006","15.4299","0.0012","90","","90","","90","","576.58","0.07","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H F2 K O4 -","- C4 H F2 K O4 -","- C16 H4 F8 K4 O16 -","4","0.5","","Charles L. Perrin; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Hydrogen-Bond Symmetry in Difluoromaleate Monoanion","Journal of the American Chemical Society","2012","134","","7766","7772","10.1021/ja2117848","","","1.54178","CuKα","","0.0478","0.0427","","","0.112","0.1143","","","","","","1.012","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4122292","18.1032","0.0012","28.586","0.002","21.3729","0.0013","90","","90","","90","","11060.4","1.3","100","2","100","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C86 H73 F36 N9 P6 -","- C86 H73 F36 N9 P6 -","- C344 H292 F144 N36 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1569","0.1084","","","0.3388","0.3714","","","","","","1.338","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4126952","6.4415","0.0015","13.071","0.003","14.001","0.003","90","","90","","90","","1178.8","0.5","250","","250","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0625","0.0445","","","0.1137","0.1271","","","","","","1.038","","","","has coordinates","204640","2020-10-21","18:00:00",""
"4127241","15.1332","0.0018","15.1","0.0018","6.5509","0.0008","90","","90","","90","","1497","0.3","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","0.5","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0639","0.0388","","","0.084","0.0969","","","","","","1.032","","","","has coordinates,has disorder","223192","2020-10-21","18:00:00",""
"4129004","10.9033","0.0009","12.0359","0.0011","25.14","0.002","90","","90","","90","","3299.1","0.5","100","","100","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H49 N O -","- C37 H49 N O -","- C148 H196 N4 O4 -","4","0.5","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0572","0.0443","","","0.1142","0.1223","","","","","","1.04","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4132086","11.2912","0.0002","25.8683","0.0004","27.1074","0.0004","90","","90","","90","","7917.6","0.2","133","2","133","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C79 H117 K N6 Ni2 O13 -","- C79 H117 K N6 Ni2 O13 -","- C316 H468 K4 N24 Ni8 O52 -","4","0.5","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.06","0.0418","","","0.0994","0.1144","","","","","","1.114","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132436","9.842","0.002","13.966","0.003","12.181","0.003","90","","90","","90","","1674.3","0.6","200","2","200","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C14 H20 F6 Fe N P -","- C14 H20 F6 Fe N P -","- C56 H80 F24 Fe4 N4 P4 -","4","0.5","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0595","0.0518","","","0.1401","0.1484","","","","","","1.003","","","","has coordinates,has disorder","242420","2020-10-21","18:00:00",""
"4133010","7.236","0.0003","26.5714","0.0013","26.8768","0.0009","90","","90","","90","","5167.6","0.4","137.1","","137.1","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C45 H59 B11 Br5 N O2 -","- C45 H59 B11 Br5 N O2 -","- C180 H236 B44 Br20 N4 O8 -","4","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0998","0.0835","","","0.1537","0.16","","","","","","1.184","","","","has coordinates,has disorder","242863","2020-10-21","18:00:00",""
"4133933","8.5562","0.0003","13.8694","0.0006","6.9835","0.0003","90","","90","","90","","828.73","0.06","98","2","98","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C5 H5 B F4 K N O -","- C5 H5 B F4 K N O -","- C20 H20 B4 F16 K4 N4 O4 -","4","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0229","0.0229","","","0.0634","0.0634","","","","","","1.031","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4134989","10.7896","0.0006","8.1584","0.0004","10.5876","0.0006","90","","90","","90","","931.98","0.09","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0523","0.0325","","","0.0932","0.1017","","","","","","1.044","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134994","10.9328","0.0006","8.215","0.0005","10.4944","0.0005","90","","90","","90","","942.53","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H12 F I N -","- C6 H12 F I N -","- C24 H48 F4 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0531","0.0373","","","0.1216","0.1319","","","","","","1.117","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4301129","18.8212","0.0003","14.3326","0.0004","20.2184","0.0004","90","","90","","90","","5454","0.2","150","2","150","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C54 H48 Cd F6 N12 O6 S2 -","- C54 H48 Cd F6 N12 O6 S2 -","- C216 H192 Cd4 F24 N48 O24 S8 -","4","0.5","","Qing Wang; Jianyong Zhang; Chun-Feng Zhuang; Yu Tang; Cheng-Yong Su","Guest Inclusion and Interpenetration Tuning of Cd(II)/Mn(II) Coordination Grid Networks Assembled from a Rigid Linear Diimidazole Schiff Base Ligand","Inorganic Chemistry","2009","48","","287","295","10.1021/ic801770n","","","0.71073","MoKα","","0.1408","0.1031","","","0.2422","0.2542","","","","","","1.038","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301966","9.5853","0.0001","15.7998","0.0002","19.5797","0.0002","90","","90","","90","","2965.26","0.06","153","1","153","1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C21 H45 F6 N2 P3 Pd -","- C21 H45 F5.998 N2 P3 Pd -","- C84 H180 F23.992 N8 P12 Pd4 -","4","0.5","","Alexander N. Marziale; Eberhardt Herdtweck; Jörg Eppinger; Sven Schneider","Palladium N(CH2CH2PiPr2)2-Dialkylamides: Synthesis, Structural Characterization, and Reactivity","Inorganic Chemistry","2009","48","","3699","3709","10.1021/ic802286u","","","0.71073","MoKα","","0.0419","0.0353","","","0.0782","0.0828","","","","","","1.158","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4303798","15.066","0.004","7.59","0.002","13.341","0.004","90","","90","","90","","1525.6","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Fe La4 S10 Sb2 -","- Fe La4 S10 Sb2 -","- Fe4 La16 S40 Sb8 -","4","0.5","","Hua-Jun Zhao; Long-Hua Li; Li-Ming Wu; Ling Chen","Syntheses, Crystal and Electronic Structures, and Physical Properties of Two Quaternary Chalcogenides: La4FeSb2Q10 (Q = S, Se)","Inorganic Chemistry","2009","48","","11518","11524","10.1021/ic900784t","","","0.71073","MoKα","","0.0247","0.0174","","","0.0409","0.0435","","","","","","1.075","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303799","15.596","0.005","7.869","0.002","13.96","0.004","90","","90","","90","","1713.2","0.9","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Fe La4 Sb2 Se10 -","- Fe La4 Sb2 Se10 -","- Fe4 La16 Sb8 Se40 -","4","0.5","","Hua-Jun Zhao; Long-Hua Li; Li-Ming Wu; Ling Chen","Syntheses, Crystal and Electronic Structures, and Physical Properties of Two Quaternary Chalcogenides: La4FeSb2Q10 (Q = S, Se)","Inorganic Chemistry","2009","48","","11518","11524","10.1021/ic900784t","","","0.71073","MoKα","","0.1139","0.104","","","0.2454","0.2496","","","","","","1.138","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4305599","11.0116","0.0003","15.8601","0.0004","13.7977","0.0004","90","","90","","90","","2409.7","0.11","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C12 H22 B N6 Na O3 S6 -","- C12 H22 B N6 Na O3 S6 -","- C48 H88 B4 N24 Na4 O12 S24 -","4","0.5","","Rosalice M. Silva; Chengeto Gwengo; Sergey V. Lindeman; Mark D. Smith; Gary J. Long; Fernande Grandjean; James R. Gardinier","A Second-Generation Janus Scorpionate Ligand: Controlling Coordination Modes in Iron(II) Complexes by Steric Modulation","Inorganic Chemistry","2008","47","","7233","7242","10.1021/ic8005794","","","1.54178","CuKα","","0.0303","0.0268","","","0.0696","0.0715","","","","","","0.975","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305661","6.5488","0.0006","9.4281","0.0008","10.6417","0.0009","90","","90","","90","","657.05","0.1","298","2","298","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H3 Cl Cu N2 O2 -","- C5 H3 Cl Cu N2 O2 -","- C20 H12 Cl4 Cu4 N8 O8 -","4","0.5","","José Suárez-Varela; Antonio J. Mota; Hakima Aouryaghal; Joan Cano; A. Rodríguez-Diéguez; Dominique Luneau; Enrique Colacio","Anion Influence on the Structure and Magnetic Properties of a Series of Multidimensional Pyrimidine-2-carboxylato-Bridged Copper(II) Complexes","Inorganic Chemistry","2008","47","","8143","8158","10.1021/ic800625w","","","0.71073","MoKα","","0.0271","0.0249","","","0.0745","0.0763","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306836","11.994","0.003","18.333","0.004","17.22","0.004","90","","90","","90","","3786.4","1.5","123","2","123","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C29 H56 Fe Mn N10 O8 -","- C29 H24 Fe Mn N10 O8 -","- C116 H96 Fe4 Mn4 N40 O32 -","4","0.5","","Wei-Wei Ni; Zhong-Hai Ni; Ai-Li Cui; Xin Liang; Hui-Zhong Kou","Cyanide-Bridged Mn(III)-Fe(III) Bimetallic Complexes Based on the Pentacyano(1-methylimidazole)ferrate(III) Building Block: Structure and Magnetic Characterizations","Inorganic Chemistry","2007","46","","22","33","10.1021/ic060575i","","","0.71073","MoKα","","0.0832","0.0735","","","0.1573","0.1619","","","","","","1.16","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4307077","12.917","0.0002","6.121","0.0005","12.093","0.0006","90","","90","","90","","956.13","0.09","298","2","298","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Ce Ni Sb3 -","- Ce Ni Sb3 -","- Ce8 Ni8 Sb24 -","8","1","","Evan Lyle Thomas; Dixie P. Gautreaux; Han-Oh Lee; Zachary Fisk; Julia Y. Chan","Discovery of β-LnNiSb3 (Ln = La, Ce): Crystal Growth, Structure, and Magnetic and Transport Behavior","Inorganic Chemistry","2007","46","","3010","3016","10.1021/ic0615832","","","0.71073","MoKα","","0.0311","0.0282","","","0.0716","0.0729","","","","","","1.188","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307078","13.097","0.0002","6.14","0.0004","12.127","0.0004","90","","90","","90","","975.2","0.07","298","2","298","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- La Ni Sb3 -","- La Ni Sb3 -","- La8 Ni8 Sb24 -","8","1","","Evan Lyle Thomas; Dixie P. Gautreaux; Han-Oh Lee; Zachary Fisk; Julia Y. Chan","Discovery of β-LnNiSb3 (Ln = La, Ce): Crystal Growth, Structure, and Magnetic and Transport Behavior","Inorganic Chemistry","2007","46","","3010","3016","10.1021/ic0615832","","","0.71073","MoKα","","0.0704","0.0627","","","0.1779","0.1926","","","","","","1.11","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307515","15.4018","0.0002","10.4556","0.0001","23.1113","0.0003","90","","90","","90","","3721.73","0.08","120","","120","","","","","","","","synthesis as described","5","P b c m","-P 2c 2b","57","(salen)Zn(py)","","","- C41 H51 N3 O2 Zn -","- C41 H51 N3 O2 Zn -","- C164 H204 N12 O8 Zn4 -","4","0.5","","Meaghan E. Germain; Thomas R. Vargo; Peter G. Khalifah; Michael J. Knapp","Fluorescent Detection of Nitroaromatics and 2,3-Dimethyl- 2,3-dinitrobutane (DMNB) by a Zinc Complex: (salophen)Zn","Inorganic Chemistry","2007","46","","4422","4429","10.1021/ic062012c","","x-ray","0.71073","MoKα","","0.0429","0.0327","","","0.0799","0.0859","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308129","6.808","0.002","16.888","0.006","23.286","0.008","90","","90","","90","","2677.3","1.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- H28 Na2 O28 Rb4 U2 -","- Na2 O27 Rb4 U2 -","- Na8 O108 Rb16 U8 -","4","0.5","","Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns","Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes","Inorganic Chemistry","2007","46","","3657","3662","10.1021/ic070118h","","","0.71073","MoKα","","0.0712","0.0376","","","0.082","0.1065","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308591","13.1274","0.0007","12.2635","0.0007","22.2328","0.0012","90","","90","","90","","3579.2","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- H K5 O17 Si4 U2 -","- H K5 O17 Si4 U2 -","- H8 K40 O136 Si32 U16 -","8","1","","Chih-Shan Chen; Hsien-Ming Kao; Kwang-Hwa Lii","K5(UO2)2[Si4O12(OH)]: A Uranyl Silicate Containing Chains of Four Silicate Tetrahedra Linked by SiO...HOSi Hydrogen Bonds","Inorganic Chemistry","2005","44","","935","940","10.1021/ic0487880","","","0.71073","MoKα","","0.0504","0.0331","","","0.0857","0.0914","","","","","","1.011","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4309232","10.954","0.002","12.06","0.002","25.553","0.005","90","","90","","90","","3375.7","1.1","200","3","200","3","","","","","","","","5","P b c m","-P 2c 2b","57","","2,6-Bis(2,4,6-triisopropylphenyl)benzenetellurenyl azide","","- C36 H49 I N3 Te -","- C36 H49 I0.258 N2.226 Te0.742 -","- C144 H196 I1.032 N8.904 Te2.968 -","4","0.5","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","x-ray","0.71073","MoKα","","0.0618","0.0419","","","0.1011","0.1072","","","","","","0.999","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4310876","7.4812","0.0004","9.8688","0.0005","24.1052","0.0012","90","","90","","90","","1779.7","0.16","293","2","293","2","","","","","","","NiO+H2SO4+DABCO+EG+H2O+HF","7","P b c m","-P 2c 2b","57","Layered NiSo4 with DABCO","","","- C6 H18 F2 N2 Ni3 O14 S3 -","- C3 H9 F N Ni1.5 O7 S1.5 -","- C24 H72 F8 N8 Ni12 O56 S12 -","8","1","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0729","0.0449","","0.1144","0.1001","","","","1.083","1.149","1.149","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4311899","8.2923","0.0012","11.872","0.0017","15.0289","0.0019","90","","90","","90","","1479.5","0.4","173","2","173","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C8 H12 Cl2 N5 O V -","- C8 H12 Cl2 N5 O V -","- C32 H48 Cl8 N20 O4 V4 -","4","0.5","","Trevor W. Hayton; Brian O. Patrick; Peter Legzdins","New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride","Inorganic Chemistry","2004","43","","7227","7233","10.1021/ic0491534","","","0.71073","MoKα","","0.0454","0.0278","","","0.0565","0.06","","","","","","0.906","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4312330","7.1485","0.0003","9.6844","0.0004","12.6643","0.0003","90","","90","","90","","876.74","0.06","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","nickel hydroxysulfate","","- H6 Ni3 O12 S2 -","- H6 Ni3 O12 S2 -","- H24 Ni12 O48 S8 -","4","0.5","","Serge Vilminot; Mireille Richard-Plouet; Gilles André; Dariusz Swierczynski; Françoise Bourée-Vigneron; Mohamedally Kurmoo","Hydrothermal Synthesis in the System Ni(OH)2-NiSO4: Nuclear and Magnetic Structures and Magnetic Properties of Ni3(OH)2(SO4)2(H2O)2","Inorganic Chemistry","2003","42","","6859","6867","10.1021/ic0345469","","","0.71069","MoKα","","0.0335","0.0319","","0.0847","0.0835","","","","1.12","1.137","1.137","","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4312769","10.3233","0.0008","19.973","0.002","6.454","0.0005","90","","90","","90","","1330.7","0.2","173.2","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C12 H8 N4 Pt S2 -","- C12 H8 N4 Pt S2 -","- C48 H32 N16 Pt4 S8 -","4","0.5","","Shinobu Kishi; Masako Kato","Thermal and Photo Control of the Linkage Isomerism of Bis(thiocyanato)(2,2'-bipyridine)platinum(II)","Inorganic Chemistry","2003","42","","8728","8734","10.1021/ic034524m","","","0.7107","MoKα","","","0.0364","","","","0.0675","","","","","","1.257","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313178","8.422","0.003","18.193","0.003","13.876","0.003","90","","90","","90","","2126.1","1","293.2","","293.2","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C19 H19 Cu N3 O5 S -","- C15.5 H16.5 Cu0.5 N2.5 O4 S0.5 -","- C62 H66 Cu2 N10 O16 S2 -","4","0.5","","Masahito Kodera; Yuuji Kajita; Yoshimitsu Tachi; Koji Kano","Structural Modulation of Cu(I) and Cu(II) Complexes of Sterically Hindered Tripyridine Ligands by the Bridgehead Alkyl Groups","Inorganic Chemistry","2003","42","","1193","1203","10.1021/ic026008m","","","0.7107","MoKα","","0.069","0.069","","0.083","","0.083","","","1.539","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313491","5.961","0.001","17.493","0.003","8.049","0.002","90","","90","","90","","839.3","0.3","295","2","295","2","","","","","","","","4","P b c m","-P 2c 2b","57","","(acetonitrile)(tricyanomethanide)silver(I)","","- C6 H3 Ag N4 -","- C6 H3 Ag N4 -","- C24 H12 Ag4 N16 -","4","0.5","","Brendan F. Abrahams; Stuart R. Batten; Bernard F. Hoskins; Richard Robson","AgC(CN)3- Based Coordination Polymers","Inorganic Chemistry","2003","42","","2654","2664","10.1021/ic026189s","","","0.71069","MoKα","","0.1123","0.0665","","","0.1435","0.1581","","","","","","0.967","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4315078","9.2408","0.0007","19.726","0.0015","19.3697","0.0016","90","","90","","90","","3530.8","0.5","138","2","138","2","","","","","","","","6","P b c m","-P 2c 2b","57","(N(C2H5)4)[MoO(Cl4C6O2)2(C4H8O)](C4H8O)","","","- C28 H36 Cl8 Mo N O7 -","- C24 H8 Cl8 Mo N O6 -","- C96 H32 Cl32 Mo4 N4 O24 -","4","0.5","","Jason Christ; Corinne Epps; Victoria Pritchard; Derek Schmeh; Cortlandt Pierpont; Ebbe Nordlander","Synthesis and Reactivity of Catecholate Complexes Containing Quadruply Bonded Metal Ions","Inorganic Chemistry","2010","49","","2029","2031","10.1021/ic902328m","","","0.71073","MoKα","","0.0936","0.0726","","","0.2185","0.2262","","","","","","1.054","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4316566","8.5157","0.0004","15.6838","0.0008","7.398","0.0004","90","","90","","90","","988.07","0.09","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H8 N2 O8 U -","- C4 N2 O8 U -","- C16 N8 O32 U4 -","4","0.5","","Clare E. Rowland; Christopher L. Cahill","Capturing Hydrolysis Products in the Solid State: Effects of pH on Uranyl Squarates under Ambient Conditions","Inorganic Chemistry","2010","49","","8668","8673","10.1021/ic1000792","","","0.71073","MoKα","","0.0274","0.0191","","","0.0465","0.0478","","","","","","1.06","","","","has coordinates,has disorder","179245","2020-10-21","18:00:00",""
"4319073","9.4515","0.001","11.9016","0.0012","23.214","0.002","90","","90","","90","","2611.3","0.4","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","[MoO(dmpe)2Cl]Cl.5H2O at 100K","","","- C12 H42 Cl2 Mo O6 P4 -","- C12 H32 Cl2 Mo O6 P4 -","- C48 H128 Cl8 Mo4 O24 P16 -","4","0.5","","Ryan E. Da Re; Michael D. Hopkins","Electronic Spectra and Structures of d2 Molybdenum-Oxo Complexes. Effects of Structural Distortions on Orbital Energies, Two-Electron Terms, and the Mixing of Singlet and Triplet States","Inorganic Chemistry","2002","41","","6973","6985","10.1021/ic020565r","","","0.71073","MoKα","","0.0427","0.0419","","","0.1207","0.1213","","","","","","1.183","","","","has coordinates","288534","2023-12-24","00:05:04",""
"4321225","8.773","0.002","14.345","0.004","15.934","0.003","90","","90","","90","","2005.3","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","Compound 7a","","","- C14 H32 Cl N2 S3 V -","- C14.62 H20 Cl N2 S3 V -","- C58.48 H80 Cl4 N8 S12 V4 -","4","0.5","","Sian C. Davies; David L. Hughes; Zofia Janas; Lucjan B. Jerzykiewicz; Raymond L. Richards; J. Roger Sanders; James E. Silverston; Piotr Sobota","Vanadium Complexes of the N(CH2CH2S)33- and O(CH2CH2S)22- Ligands with Coligands Relevant to Nitrogen Fixation Processes","Inorganic Chemistry","2000","39","","3485","3498","10.1021/ic9909476","","","0.71069","MoKα","","0.0534","0.0354","","0.1176","0.1025","","","","1.113","1.152","1.152","","","","","has coordinates,has disorder","179315","2020-10-21","18:00:00",""
"4323369","9.024","0.003","21.886","0.008","23.184","0.006","90","","90","","90","","4579","3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C41 H77 Co N7 -","- C20.5 H35.5 Co0.5 N3.5 -","- C164 H284 Co4 N28 -","8","1","","Ingrid K. Meier; Ronald M. Pearlstein; Dorai Ramprasad; Guido P. Pez","Tetrabutylammonium Tetracyanocobaltate(II) Dioxygen Carriers","Inorganic Chemistry","1997","36","","1707","1714","10.1021/ic9608004","","","0.71073","MoKα","","0.2122","0.1013","","0.3022","0.2523","","","","1.383","1.715","1.715","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323771","13.989","0.002","18.304","0.001","6.682","0.003","90","","90","","90","","1711","0.8","20","","20","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H13 N4 O0.5 Pt -","- C96 H60 N16 O4 Pt4 -","- C96 H60 N16 O4 Pt4 -","","","","Masako Kato; Kumiko Sasano; Chizuko Kosuge; Mikio Yamazaki; Shigenobu Yano; Masaru Kimura","Crystal Structures and Luminescence Properties of Platinum(II) Complexes Containing 3,3'-Biisoquinoline","Inorganic Chemistry","1996","35","","116","123","10.1021/ic9507124","","","0.7107","MoKalpha","","","0.039","","","0.034","","","","","2.4","2.4","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324294","7.1544","0.0003","7.1619","0.0003","16.8551","0.0007","90","","90","","90","","863.64","0.06","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","Dirhenium(VII)-pentaoxide-bis(sulfate)","","","- O13 Re2 S2 -","- O13 Re2 S2 -","- O52 Re8 S8 -","4","0.5","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.019","0.0179","","","0.0393","0.0396","","","","","","1.283","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324608","10.6762","0.0016","28.242","0.005","34.079","0.006","90","","90","","90","","10275","3","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C94 H48 N8 O37 Y3 -","- C94 H48 N8 O37 Y3 -","- C376 H192 N32 O148 Y12 -","4","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.103","0.0852","","","0.2349","0.2585","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324609","10.7029","0.0019","28.176","0.005","34.014","0.006","90","","90","","90","","10257","3","78","2","78","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C90 H102 Dy3 N7 O36 -","- C90 H102 Dy3 N7 O36.001 -","- C360 H408 Dy12 N28 O144.004 -","4","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.0808","0.0768","","","0.1572","0.1592","","","","","","1.011","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4326189","7.1464","0.0007","15.0609","0.0015","5.438","0.0005","90","","90","","90","","585.3","0.1","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Cu O7 Sr Te2 -","- Cu O7 Sr Te2 -","- Cu4 O28 Sr4 Te8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Michael A. Hayward; P. Shiv Halasyamani","""A"" Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)","Inorganic Chemistry","2011","50","","8663","8670","10.1021/ic2012217","","","0.71073","MoKα","","0.0273","0.0265","","","0.0654","0.0658","","","","","","1.136","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326190","7.2033","0.0005","15.0468","0.001","5.4691","0.0004","90","","90","","90","","592.78","0.07","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Cu O7 Pb Te2 -","- Cu O7 Pb Te2 -","- Cu4 O28 Pb4 Te8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Michael A. Hayward; P. Shiv Halasyamani","""A"" Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)","Inorganic Chemistry","2011","50","","8663","8670","10.1021/ic2012217","","","0.71073","MoKα","","0.0216","0.0211","","","0.0519","0.0522","","","","","","1.176","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4327633","11.312","0.001","13.545","0.004","16.615","0.003","90","","90","","90","","2545.8","0.9","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","4","","","- C18 H23 Cu F12 N5 P2 -","- C18 H23 Cu F12 N5 P2 -","- C72 H92 Cu4 F48 N20 P8 -","4","0.5","","Jason A. Halfen; Joseph M. Uhan; Derek C. Fox; Mark P. Mehn; Lawrence Que","Copper(II) Complexes of Pyridyl-Appended Diazacycloalkanes: Synthesis, Characterization, and Application to Catalytic Olefin Aziridination","Inorganic Chemistry","2000","39","","4913","4920","10.1021/ic000664+","","","0.71073","MoKα","","0.1276","0.054","","","0.1258","0.1535","","","","","","1.008","","","","has coordinates,has disorder","179379","2020-10-21","18:00:00",""
"4327920","6.7311","0.0002","14.7242","0.0004","19.1681","0.0006","90","","90","","90","","1899.75","0.1","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C8 H20 Al2 Cl6 O4 -","- C8 H20 Al2 Cl6 O4 -","- C32 H80 Al8 Cl24 O16 -","4","0.5","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0374","0.0329","","","0.0787","0.0812","","","","","","1.124","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328071","15.225","0.005","21.585","0.006","23.839","0.007","90","","90","","90","","7834","4","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C31 H71 Cl3 Co6 Er N11.5 O38.25 -","- C31 H61.5 Cl3 Co6 Er N11.5 O38.25 -","- C124 H246 Cl12 Co24 Er4 N46 O153 -","4","0.5","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.104","0.0691","","","0.2093","0.2336","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329663","12.16","0.0011","26.468","0.003","26.331","0.002","90","","90","","90","","8474.7","1.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C41 H36 O24 S2 Zn4 -","- C41 H20 O24 S2 Zn4 -","- C164 H80 O96 S8 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0682","0.048","","","0.1228","0.1278","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329664","12.383","0.0011","26.271","0.002","26.278","0.002","90","","90","","90","","8548.6","1.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C43 H38 N2 O24 Zn4 -","- C43 H34 N2 O24 Zn4 -","- C172 H136 N8 O96 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0767","0.0484","","","0.1226","0.1288","","","","","","0.994","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329665","12.31","0.0007","26.25","0.0014","26.341","0.0014","90","","90","","90","","8511.8","0.8","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H42 N2 O24 Zn4 -","- C45 H38 N2 O24 Zn4 -","- C180 H152 N8 O96 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0605","0.0377","","","0.0863","0.0892","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329666","12.5059","0.0003","26.1708","0.0006","26.2509","0.0005","90","","90","","90","","8591.6","0.3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C41 H36 O24 Zn4 -","- C41 H30 O24 Zn4 -","- C164 H120 O96 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0869","0.0633","","","0.1977","0.216","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329716","13.2137","0.0008","20.9757","0.0011","33.2416","0.0018","90","","90","","90","","9213.5","0.9","296","2","296","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C36 H84 Ag11 F6 I4 O12 P7 S12 -","- C36 H84 Ag11 F6 I4 O12 P7 S12 -","- C144 H336 Ag44 F24 I16 O48 P28 S48 -","4","0.5","","Yi-Juan Li; Camille Latouche; Samia Kahlal; Jian-Hong Liao; Rajendra Singh Dhayal; Jean-Yves Saillard; C. W. Liu","A μ9-Iodide in a Tricapped Trigonal-Prismatic Geometry","Inorganic Chemistry","2012","51","","7439","7441","10.1021/ic3007475","","","0.71073","MoKα","","0.1026","0.0644","","","0.1945","0.2229","","","","","","1.168","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329717","13.3742","0.0017","21.242","0.003","33.657","0.006","90","","90","","90","","9562","2","296","2","296","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C37.5 H87 Ag11 F6 I4 O12.5 P7 Se12 -","- C37.5 H87 Ag11 F6 I4 O12.5 P7 Se12 -","- C150 H348 Ag44 F24 I16 O50 P28 Se48 -","4","0.5","","Yi-Juan Li; Camille Latouche; Samia Kahlal; Jian-Hong Liao; Rajendra Singh Dhayal; Jean-Yves Saillard; C. W. Liu","A μ9-Iodide in a Tricapped Trigonal-Prismatic Geometry","Inorganic Chemistry","2012","51","","7439","7441","10.1021/ic3007475","","","0.71073","MoKα","","0.1523","0.0562","","","0.1418","0.206","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331381","4.383","0.002","12.193","0.002","11.18","0.002","90","","90","","90","","597.5","0.3","180","2","180","2","","","","","","","","3","P b c m","-P 2c 2b","57","cyclotriborazane","","","- B3 H12 N3 -","- B3 H12 N3 -","- B12 H48 N12 -","4","0.5","","Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore","New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl","Inorganic Chemistry","2012","51","","13430","13436","10.1021/ic302308v","","","0.71073","MoKα","","0.0939","0.0445","","","0.0963","0.1144","","","","","","1.012","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331940","7.5867","0.0004","19.9574","0.001","17.9726","0.0009","90","","90","","90","","2721.2","0.2","193","2","193","2","","","","","","","","5","P b c m","-P 2c 2b","57","cesium uranyl copper phosphate","","","- Cs3.14 Cu O27 P5 U3 -","- Cs6.276 Cu2 O54 P10 U6 -","- Cs12.552 Cu4 O108 P20 U12 -","2","0.25","","Shvareva, Tatiana Y.; Albrecht-Schmitt, Thomas E.","General Route to Three-Dimensional Framework Uranyl Transition Metal Phosphates with Atypical Structural Motifs: The Case Examples of Cs2{(UO2)4[Co(H2O)2]2(HPO4)(PO4)4} and Cs3+x[(UO2)3CuH4-x(PO4)5]·H2O","Inorganic Chemistry","2006","45","5","1900","1902","10.1021/ic051922b","","","0.71073","MoKα","","0.044","0.0354","","","0.0813","0.0835","","","","","","1.053","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4332837","9.3168","0.0016","23.612","0.005","16.71","0.005","90","","90","","90","","3676","1.5","103.1","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C27 H39 Cu F12 N4 O5 P2 -","- C27 H31 Cu F12 N4 O5 P2 -","- C108 H124 Cu4 F48 N16 O20 P8 -","4","0.5","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.71075","MoKα","","","0.0628","","","","0.1335","","","","","","0.751","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332989","6.5594","0.0004","14.2465","0.0011","11.3892","0.0008","90","","90","","90","","1064.3","0.13","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C2 H12 Mo2 O10 Sn -","- C2 H6 Mo2 O10 Sn -","- C8 H24 Mo8 O40 Sn4 -","4","0.5","","Reinoso, Santiago; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich","Hybrid Organic−Inorganic Assemblies Based on Molybdates and Dimethyltin Linkers","Inorganic Chemistry","2006","45","22","9014","9019","10.1021/ic061191v","","","0.71073","MoKα","","0.0377","0.03","","","0.0773","0.0824","","","","","","1.116","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333298","7.6334","0.0015","13.929","0.003","10.926","0.002","90","","90","","90","","1161.7","0.4","293","","293","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C14 H10 Fe N2 -","- C14 H10 Fe N2 -","- C56 H40 Fe4 N8 -","4","0.5","","Nemykin, Victor N.; Makarova, Elena A.; Grosland, Jeffrey O.; Hadt, Ryan G.; Koposov, Alexey Y.","Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes.","Inorganic chemistry","2007","46","23","9591","9601","10.1021/ic700558v","","","0.71073","MoKα","","0.1279","0.0975","","0.2482","0.2283","0.2283","","","","","","1.0154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333556","8.15","0.008","16.321","0.017","23.29","0.02","90","","90","","90","","3098","5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","[(SIDipp)Au(CN)]","","","- C29 H40 Au Cl2 N3 -","- C29 H40 Au Cl2 N3 -","- C116 H160 Au4 Cl8 N12 -","4","0.5","","Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias","End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines","Inorganic Chemistry","2013","52","","729","742","10.1021/ic301869v","","","0.71073","MoKα","","0.0365","0.0306","","","0.0735","0.0761","","","","","","1.103","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4336378","11.5148","0.0013","28.109","0.003","14.1707","0.0016","90","","90","","90","","4586.6","0.9","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","VI(PMe3)2(NtBu)2","","","- C14 H36 I N2 P2 V -","- C14 H36 I N2 P2 V -","- C112 H288 I8 N16 P16 V8 -","8","1","","Henry S. La Pierre; Stefan G. Minasian; Mark Abubekerov; Stosh A. Kozimor; David K. Shuh; Tolek Tyliszczak; John Arnold; Robert G. Bergman; F. Dean Toste","Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy","Inorganic Chemistry","2013","52","","11650","11660","10.1021/ic4020543","","","0.71073","MoKα","","0.0627","0.0342","","","0.0572","0.0676","","","","","","1.074","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4337636","13.983","0.005","20.167","0.005","17.063","0.005","90","","90","","90","","4812","3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H81 Ce2 O9 -","- C36 H83 Ce2 O9 -","- C144 H332 Ce8 O36 -","4","0.5","","Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Octakis(tert-butoxo)dicerium(IV) [Ce2(O(t)Bu)8]: Synthesis, Characterization, Decomposition, and Reactivity.","Inorganic chemistry","2014","53","6","2751","2753","10.1021/ic4025876","","","0.71073","MoKα","","0.0612","0.0405","","","0.1001","0.1108","","","","","","1.014","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4338324","8.765","0.005","14.126","0.009","5.714","0.003","90","","90","","90","","707.5","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- H0 N4 O24 Pb12 -","- N4 O24 Pb12 -","- N4 O24 Pb12 -","1","0.125","","Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan","Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.","Inorganic chemistry","2014","53","10","5222","5228","10.1021/ic5004116","","","0.71073","MoKα","","0.0577","0.0488","","","0.1324","0.1372","","","","","","1.128","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4340861","12.7742","0.0005","11.6626","0.0005","13.5228","0.0005","90","","90","","90","","2014.63","0.14","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C12 H31 B11 N2 -","- C12 H31 B11 N2 -","- C48 H124 B44 N8 -","4","0.5","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.0479","0.0429","","","0.1191","0.1285","","","","","","1.081","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4342235","12.6011","0.0013","17.2874","0.0018","13.7364","0.0014","90","","90","","90","","2992.3","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C12.56 H9.76 O7 V -","- C12.56 H8.8 O7 V -","- C100.48 H70.4 O56 V8 -","8","1","","Kaveevivitchai, Watchareeya; Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Two Distinct Redox Intercalation Reactions of Hydroquinone with Porous Vanadium Benzenedicarboxylate MIL-47.","Inorganic chemistry","2015","54","4","1822","1828","10.1021/ic502730y","","","0.71073","MoKα","","0.0944","0.053","","","0.1685","0.2124","","","","","","1.054","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342474","10.9087","0.0013","12.0442","0.0014","25.283","0.003","90","","90","","90","","3321.8","0.7","100","","100","","","","","","","","","3","P b c m","-P 2c 2b","57","CNArTripp2","","","- C37 H49 N -","- C37 H49 N -","- C148 H196 N4 -","4","0.5","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0633","0.0454","","","0.1143","0.1264","","","","","","1.043","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4343665","6.359","","9.765","","6.667","","90","","90","","90","","413.992","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Na2 N2 O3 H2 O","","- H2 N2 Na2 O4 -","- H2 N2 Na2 O4 -","- H8 N8 Na8 O16 -","4","0.5","","Hope, H.; Sequeira, M.R.","Angeli's salt. Crystal structure of sodium trioxodinitrate (II) monohydrate, Na2 N2 O3 H2 O","Inorganic Chemistry","1973","12","","286","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","145348","2020-10-21","18:00:00",""
"4343944","4.7938","","9.5339","","7.9101","","90","","90","","90","","361.52","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Cs O O C H","","- C H Cs O2 -","- C H Cs O2 -","- C4 H4 Cs4 O8 -","4","0.5","","Wilson, M.P.; Alcock, N.W.; Rodger, P.M.","Structure of anhydrous alkali-metal formates","Inorganic Chemistry","2006","45","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343945","4.6172","","9.1822","","7.3525","","90","","90","","90","","311.717","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Rb (H C O O)","","- C H O2 Rb -","- C H O2 Rb -","- C4 H4 O8 Rb4 -","4","0.5","","Wilson, M.P.; Alcock, N.W.; Rodger, P.M.","Structure of anhydrous alkali-metal formates","Inorganic Chemistry","2006","45","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344187","6.318","","7.108","","11.058","","90","","90","","90","","496.596","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (As O4) Cl","","- As Ca2 Cl O4 -","- As Ca2 Cl O4 -","- As4 Ca8 Cl4 O16 -","4","0.5","","Banks, E.; Greenblatt, M.; Post, B.","The crystal structures of synthetic spodiosites. Ca2 V O4 Cl and Ca2 As O4 Cl","Inorganic Chemistry","1970","9","","2259","2264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344188","6.311","","7.14","","11.052","","90","","90","","90","","498.009","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (V O4) Cl","","- Ca2 Cl O4 V -","- Ca2 Cl O4 V -","- Ca8 Cl4 O16 V4 -","4","0.5","","Banks, E.; Post, B.; Greenblatt, M.","The crystal structures of synthetic spodiosites. Ca2 V O4 Cl and Ca2 As O4 Cl","Inorganic Chemistry","1970","9","","2259","2264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344331","4.735","","9.209","","11.227","","90","","90","","90","","489.549","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K Te F5","","- F5 K Te -","- F5 K Te -","- F20 K4 Te4 -","4","0.5","","Mastin, S.H.; Ryan, R.R.; Asprey, L.B.","Crystal Structure of Potassium Pentafluorotellurate (K Te F5)","Inorganic Chemistry","1970","9","","2100","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344590","5.9786","0.0012","17.991","0.004","31.423","0.006","90","","90","","90","","3379.9","1.2","200","","200","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H49 N5 Ni -","- C36 H49 N5 Ni -","- C144 H196 N20 Ni4 -","4","0.5","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0546","0.0358","","","0.0816","0.0909","","","","","","1.073","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4345923","12.344","0.0002","8.29446","0.00013","23.7201","0.0005","90","","90","","90","","2428.63","0.07","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C23 H14 N3 O6 Tb -","- C23 H14 N3 O6 Tb -","- C92 H56 N12 O24 Tb4 -","4","0.5","","Ye, Jia-Wen; Lin, Jiao-Min; Mo, Zong-Wen; He, Chun-Ting; Zhou, Hao-Long; Zhang, Jie-Peng; Chen, Xiao-Ming","Mixed-Lanthanide Porous Coordination Polymers Showing Range-Tunable Ratiometric Luminescence for O2 Sensing.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00252","","","1.54184","CuKα","","0.0422","0.0404","","","0.115","0.1164","","","","","","1.029","","","","has coordinates,has disorder","198947","2020-10-21","18:00:00",""
"4346321","11.286","","15.727","","18.232","","90","","90","","90","","3236.09","","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H51 B3 O Ru3 -","- C31 H51 B3 O Ru3 -","- C124 H204 B12 O4 Ru12 -","4","0.5","","Yuvaraj, K.; Roy, Dipak Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","Homometallic Cubane Clusters: Participation of Three-Coordinated Hydrogen in 60-Valence Electron Cubane Core.","Inorganic chemistry","2015","54","17","8673","8678","10.1021/acs.inorgchem.5b01298","","","0.71073","MoKα","","0.1379","0.0792","","","0.1812","0.2347","","","","","","1.086","","","","has coordinates","231727","2020-10-21","18:00:00",""
"4347139","13.0966","0.0008","21.1127","0.0013","14.9035","0.0008","90","","90","","90","","4120.9","0.4","296","2","296","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C18 H36 Cl2 Cu2 N6 Na6 O27 -","- C18 H36 Cl2 Cu2 N6 Na6 O27 -","- C72 H144 Cl8 Cu8 N24 Na24 O108 -","4","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.0622","0.05","","","0.1362","0.1459","","","","","","1.034","","","","has coordinates","232181","2020-10-21","18:00:00",""
"4347462","24.0875","0.0009","27.8262","0.0008","30.3154","0.0013","90","","90","","90","","20319.3","1.3","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H105 Eu5 O45 -","- C164 H105 Eu5 O45 -","- C656 H420 Eu20 O180 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","","0.71073","MoKα","","0.1726","0.0945","","","0.2173","0.2751","","","","","","1.021","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347463","24.435","0.002","27.255","0.003","30.407","0.003","90","","90","","90","","20250","3","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H105 Dy5 O47 -","- C164 H105 Dy5 O47 -","- C656 H420 Dy20 O188 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","","0.71075","MoKα","","0.0807","0.0769","","","0.2183","0.2224","","","","","","1.127","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347464","23.9063","0.0006","27.4059","0.0005","30.321","0.0004","90","","90","","90","","19865.5","0.7","125","4","125","4","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H110.8 O48 Yb5 -","- C164 H110.802 O48 Yb5 -","- C656 H443.208 O192 Yb20 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","x-ray","0.71073","MoKα","","0.0995","0.0731","","","0.2001","0.2265","","","","","","1.028","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4348330","7.016","0.0002","18.7659","0.0006","23.7144","0.0007","90","","90","","90","","3122.27","0.16","100","","100","1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C33 H51 Co N3 O -","- C33 H51 Co N3 O -","- C132 H204 Co4 N12 O4 -","4","0.5","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0696","0.0588","","","0.1539","0.1619","","","","","","1.1","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348442","7.7142","0.0004","17.3166","0.0007","17.257","0.0008","90","","90","","90","","2305.25","0.19","173","2","173","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H23 I N5 P S2 -","- C20 H24 I N5 P S2 -","- C80 H96 I4 N20 P4 S8 -","4","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0216","0.0208","","","0.0546","0.0556","","","","","","1.064","","","","has coordinates","232921","2020-10-21","18:00:00",""
"4348734","11.7987","0.0003","42.8341","0.0012","20.1806","0.0005","90","","90","","90","","10199","0.5","120","","120","","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C46 H79 Cu I N3 O P3 V -","- C46 H79 Cu I N3 O P3 V -","- C368 H632 Cu8 I8 N24 O8 P24 V8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0608","0.0424","","0.1188","0.0934","0.1188","","","","","","1","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4349266","11.9135","0.0006","11.2559","0.0008","48.174","0.002","90","","90","","90","","6460","0.6","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C68 H56 Cl N16 O8 Ru2 -","- C68 H56 Cl N16 O8 Ru2 -","- C272 H224 Cl4 N64 O32 Ru8 -","4","0.5","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","1.54184","CuKα","","0.1079","0.0733","","","0.1711","0.1957","","","","","","1.007","","","","has coordinates","233789","2020-10-21","18:00:00",""
"4349313","4.6402","0.0012","13.168","0.003","13.503","0.003","90","","90","","90","","825.1","0.3","128","2","128","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H10 F4 O2 S -","- C4 H10 F4 O2 S -","- C16 H40 F16 O8 S4 -","4","0.5","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.0228","0.0197","","","0.0549","0.0575","","","","","","1.127","","","","has coordinates","233845","2020-10-21","18:00:00",""
"4350277","11.542","0.0015","14.977","0.002","22.309","0.003","90","","90","","90","","3856.4","0.9","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H51 O6 Yb3 -","- C37 H51 O6 Yb3 -","- C148 H204 O24 Yb12 -","4","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.066","0.0372","","","0.0791","0.1018","","","","","","1.108","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350787","10.0015","0.0012","32.004","0.004","26.426","0.003","90","","90","","90","","8458.6","1.8","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(2-(1-naphthyl)ethynyl)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum toluene solvate dihydrate","","- C98 H100 B3 O12 Ta3 -","- C118 H126 B3 O12 Ta3 -","- C472 H504 B12 O48 Ta12 -","4","0.5","","Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine","On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities","Inorganic Chemistry","2012","51","","10384","10393","10.1021/ic3015755","","","","","","","0.0584","","","0.0584","","","","","","","","","","","has coordinates","260383","2021-01-03","16:04:15",""
"4501223","12.297","0.0005","26.057","0.0012","26.084","0.0012","90","","90","","90","","8357.9","0.6","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H20 Cu4 O24 -","- C37 H20 Cu4 O24 -","- C148 H80 Cu16 O96 -","4","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0873","0.0839","","","0.2668","0.2715","","","","","","1.081","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501224","12.4105","0.0005","26.2172","0.0012","26.2215","0.0012","90","","90","","90","","8531.7","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H20 O24 Zn4 -","- C37 H20 O24 Zn4 -","- C148 H80 O96 Zn16 -","4","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0829","0.0761","","","0.2367","0.2488","","","","","","1.144","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4504333","6.3449","0.0005","10.4301","0.0007","6.6211","0.0005","90","","90","","90","","438.17","0.06","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C H3 N5 O Zn -","- C H3 N5 O Zn -","- C4 H12 N20 O4 Zn4 -","4","0.5","","Wang, Xian−Wen; Chen, Jing-Zhong; Liu, Jian-Hong","Photoluminescent Zn(II) Metal−Organic Frameworks Built from Tetrazole Ligand: 2D Four-Connected Regular Honeycomb (4363)-net","Crystal Growth & Design","2007","7","7","1227","","10.1021/cg070330w","","","0.71073","MoKα","","0.0233","0.02","","","0.0556","0.058","","","","","","1.157","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504406","6.6799","0.0005","17.8844","0.0014","14.9376","0.0012","90","","90","","90","","1784.5","0.2","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H8 Cd2 Cl3 Cu N10 -","- C12 H8 Cd2 Cl3 Cu N10 -","- C48 H32 Cd8 Cl12 Cu4 N40 -","4","0.5","","Tang, Yun-Zhi; Wang, Guo-Xi; Ye, Qiong; Xiong, Ren-Gen; Yuan, Rong-Xin","Heterometallic Tetrazole Coordination Polymer Formed through 2 + 3 Cycloaddition Reaction between Inorganic Complexes in the Presence of Lewis Acid","Crystal Growth & Design","2007","7","12","2382","2386","10.1021/cg070528g","","","0.71073","MoKα","","0.0226","0.0214","","","0.055","0.0556","","","","","","1.063","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4506792","7.3","0.009","19.11","0.02","34.17","0.04","90","","90","","90","","4767","10","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C216 H164 Co8 N16 O52 -","- C216 H164 Co8 N16 O52 -","- C216 H164 Co8 N16 O52 -","1","0.125","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.1402","0.1091","","","0.2297","0.2479","","","","","","1.06","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4507293","5.3331","0.0005","6.8981","0.0004","18.1411","0.0016","90","","90","","90","","667.38","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H2 Ca O4 S -","- C6 H2 Ca O4 S -","- C24 H8 Ca4 O16 S4 -","4","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.71073","MoKα","","0.0367","0.0289","","","0.0715","0.0768","","","","","","1.063","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507545","10.4621","0.001","16.608","0.0015","13.9436","0.0013","90","","90","","90","","2422.8","0.4","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","1","","","- C24 H23 Cd N3 O7 -","- C24 H23 Cd N3 O7 -","- C96 H92 Cd4 N12 O28 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0615","0.0473","","","0.1185","0.1246","","","","","","1.14","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507547","10.3913","0.0008","16.7981","0.0013","13.8612","0.0011","90","","90","","90","","2419.5","0.3","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","3","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C84 H64 Cd4 N8 O24 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0657","0.0551","","","0.1421","0.1493","","","","","","1.101","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507966","12.2612","0.0006","16.8753","0.0008","18.5387","0.0009","90","","90","","90","","3835.9","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H38 Cu2 N4 O17 -","- C31 H38 Cu2 N4 O17 -","- C124 H152 Cu8 N16 O68 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0567","0.0425","","","0.131","0.1432","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508334","14.1354","0.0005","21.1391","0.0007","14.212","0.0005","90","","90","","90","","4246.7","0.3","100","2","100","2","","","","","","","","2","P b c m","-P 2c 2b","57","D5h-C90.CS2","","","- C91 S2 -","- C91 S2 -","- C364 S8 -","4","0.5","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","0.7749","synchrotron","","0.0955","0.0873","","","0.2354","0.2387","","","","","","1.157","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4509005","8.783","0.002","24.64","0.006","14.613","0.004","90","","90","","90","","3162.4","1.4","298","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H34 N4 O4 Zn -","- C31 H34 N4 O4 Zn -","- C124 H136 N16 O16 Zn4 -","4","0.5","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71073","MoKα","","0.1399","0.0877","","","0.1928","0.2179","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509284","11.408","0.001","35.106","0.0015","14.3493","0.0012","90","","90","","90","","5746.7","0.7","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C32 H50 Cs2 N20 O35 U4 -","- C32 H40 Cs2 N20 O35 U4 -","- C128 H160 Cs8 N80 O140 U16 -","4","0.5","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0792","0.0417","","","0.0998","0.1103","","","","","","1.026","","","","has coordinates,has disorder","179628","2020-10-21","18:00:00",""
"4509606","9.852","0.002","26.378","0.005","13.548","0.003","90","","90","","90","","3520.8","1.3","298","2","298","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C8 H22 Cd5 Cl2 N40 O3 -","- C8 H15 Cd5 Cl2 N40 O2.8 -","- C32 H60 Cd20 Cl8 N160 O11.2 -","4","0.5","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0869","0.0853","","","0.2367","0.2379","","","","","","1.339","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4512407","11.632","0.002","27.86","0.006","31.017","0.007","90","","90","","90","","10052","4","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C46 H30 Co2 N2 O8 -","- C46 H30 Co2 N2 O8 -","- C368 H240 Co16 N16 O64 -","8","1","","Jasuja, Himanshu; Jiao, Yang; Burtch, Nicholas C.; Huang, You-gui; Walton, Krista S.","Synthesis of cobalt-, nickel-, copper-, and zinc-based, water-stable, pillared metal-organic frameworks.","Langmuir : the ACS journal of surfaces and colloids","2014","30","47","14300","14307","10.1021/la503269f","","","0.71073","MoKα","","0.0914","0.063","","","0.1517","0.1625","","","","","","1.071","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4514128","4.5071","0.0009","7.7017","0.0015","15.921","0.003","90","","90","","90","","552.66","0.19","25","","12","","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0377","0.0264","","0.0644","0.047","0.0436","","","","","","1","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4516766","5.9577","0.0003","24.1397","0.0013","9.4019","0.0005","90","","90","","90","","1352.15","0.12","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C11 H19 Cs O4 -","- C11 H19 Cs O4 -","- C44 H76 Cs4 O16 -","4","0.5","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0506","0.0291","","","0.0412","0.0453","","","","","","1.07","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4518013","7.301","0.005","20.365","0.015","24.831","0.018","90","","90","","90","","3692","5","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C96 H56 Co4 N48 O32 -","4","0.5","","Li, Yong-Zhi; Wang, Gang-Ding; Shi, Wen-Juan; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Efficient C<sub>2</sub>H<i> <sub>n</sub> </i> Hydrocarbons and VOC Adsorption and Separation in an MOF with Lewis Basic and Acidic Decorated Active Sites.","ACS applied materials & interfaces","2020","12","37","41785","41793","10.1021/acsami.0c12992","","","0.71073","MoKα","","0.1065","0.0574","","","0.1448","0.172","","","","","","1","","","","has coordinates","256980","2020-10-21","18:00:00",""
"4519089","3.8139","0.0002","24.994","0.003","14.5959","0.0008","90","","90","","90","","1391.3","0.2","100","0.1","100","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C9 H5 F3 Fe3 Li O10 -","- C9 H5 F3 Fe3 Li O10 -","- C36 H20 F12 Fe12 Li4 O40 -","4","0.5","","Jiang, Xue; Wu, Ben; Bai, Peng; Lyu, Jiafei; Guo, Xianghai","Novel Fluorine-Pillared Metal-Organic Framework for Highly Effective Lithium Enrichment from Brine.","ACS applied materials & interfaces","2021","13","40","47793","47799","10.1021/acsami.1c17080","","x-ray","1.54184","CuKα","","0.2382","0.223","","","0.5019","0.5185","","","","","","2.396","","","","has coordinates","270228","2021-11-03","20:03:48",""
"4519090","3.811","0.0005","25.004","0.005","14.585","0.0013","90","","90","","90","","1389.8","0.4","100","0.1","100","0.1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C9 H5 F3 Fe3 O10 -","- C9 H5 F3 Fe3 O10 -","- C36 H20 F12 Fe12 O40 -","4","0.5","","Jiang, Xue; Wu, Ben; Bai, Peng; Lyu, Jiafei; Guo, Xianghai","Novel Fluorine-Pillared Metal-Organic Framework for Highly Effective Lithium Enrichment from Brine.","ACS applied materials & interfaces","2021","13","40","47793","47799","10.1021/acsami.1c17080","","x-ray","1.54184","CuKα","","0.205","0.1848","","","0.4317","0.45","","","","","","1.86","","","","has coordinates","270229","2021-11-03","20:04:21",""
"4519147","6.8374","0.0006","18.2868","0.0015","18.8324","0.0016","90","","90","","90","","2354.7","0.3","225","2","225.27","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C19 H24 B10 O5 -","- C19 H24 B10 O5 -","- C76 H96 B40 O20 -","4","0.5","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","1.34138","GaKα","","0.1419","0.1123","","","0.2766","0.2961","","","","","","1.202","","","","has coordinates","271026","2021-12-03","20:44:08",""
"5000049","6.3925","0.0017","5.3424","0.0014","10.733","0.003","90","","90","","90","","366.546","","","","113","","","","","","","","","3","P b c m","-P 2c 2b","57","","Acetone","","- C3 H6 O -","- C5 H12 O -","- C20 H48 O4 -","4","0.5","","J.C.Huffman","","Private Communication","2001","","","","","","","","","","","","0.0491","","","0.0491","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"6000296","9.5525","","12.6348","","7.7033","","90","","90","","90","","929.74","","","","","","","","","","","","","3","P b c m","","","","","","- B4 La5 N9 -","","","","","","Reckeweg, O.; Meyer, H. J.","The nitrido borates Ln(3)B(2)N(4) (Ln = La-Nd) and La5B4N9: syntheses, structures, and properties","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","866","874","10.1002/(SICI)1521-3749(199906)625:6<866::AID-ZAAC866>3.0.CO;2-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000401","4.9504","","13.335","","16.482","","90","","90","","90","","1088.04","","","","","","","","","","","","","3","P b c m","","","","","","- O7 P2 Zn2 -","","","","","","Bataille, T.; Benard-Rocherulle, P.; Louer, D.","Thermal behavior of zinc phenylphosphonate and structure determination of gamma-Zn2P2O7 from X-ray powder diffraction data","Journal of Solid State Chemistry","1998","140","","62","70","10.1006/jssc.1998.7854","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000465","9.2769","","14.798","","14.611","","90","","90","","90","","2005.79","","","","","","","","","","","","","7","P b c m","","","","","","- C4 H16 Al3 Mg N3 O17 P4 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28","Journal of Materials Chemistry","2001","11","","1242","1247","10.1039/b008728i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000466","9.2186","","14.8652","","14.5811","","90","","90","","90","","1998.14","","","","","","","","","","","","","7","P b c m","","","","","","- C4 H14 Al3 Mg N3 O16 P4 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28","Journal of Materials Chemistry","2001","11","","1242","1247","10.1039/b008728i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000505","8.642","","19.346","","7.114","","90","","90","","90","","1189.38","","","","","","","","","","","","","7","P b c m","","","","","","- C3 H14 F Ga N2 O8 P2 -","","","","","","Walton, R. I.; Millange, F.; O'hare, D.; Paulet, C.; Loiseau, T.; Ferey, G.","Synthesis, structures, and reactivity of two compounds containing the tancoite-like [Ga(HPO4)(2)F](2-)(infinity) chain","Chemistry of Materials","2000","12","","1977","1984","10.1021/cm000195+","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000521","4.076","","13.3801","","6.7215","","90","","90","","90","","366.57","","","","1.5","","","","","","","","","2","P b c m","","","","","","- D2 S -","","","","","","Cockcroft, J. K.; Fitch, A. N.","The solid-phases of deuterium sulfide by powder neutron-diffraction","Zeitschrift für Kristallographie","1990","193","1-4","1","19","10.1524/zkri.1990.193.14.1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000652","6.8022","0.0005","7.0526","0.0007","42.037","0.0003","90","","90","","90","","2016.65","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cl La S -","- Cl La S -","- Cl24 La24 S24 -","24","3","","Lissner, Falk; Schleid, Thomas","Sulfide chlorides (MSCl) of the light lanthanides (M = La-Pr)","Zeitschrift Für Anorganische Und Allgemeine Chemie","1998","624","3","452","456","10.1002/(SICI)1521-3749(199803)624:3<452::AID-ZAAC452>3.0.CO;2-A","","","0.7107","MoKα","","0.069","","","0.043","","","","0.087","","","","","","","","has coordinates","209292","2020-10-21","18:00:00",""
"7001844","15.25","0.0005","17.888","0.0006","6.4355","0.0002","90","","90","","90","","1755.55","0.1","295","2","295","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H6 Ag N O5 S -","- C5 H4 Ag N O5 S -","- C40 H32 Ag8 N8 O40 S8 -","8","1","","Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","A series of silver(i) pyridone-sulfonates with 1-D “butterfly” chain, 2-D lamellar network and 3-D pillared layered frameworks: syntheses, structures and characterizations","Dalton Transactions","2009","","33","6552","6561","10.1039/b907389b","","","0.71073","MoKα","","0.0791","0.0699","","","0.2185","0.232","","","","","","1.07","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7004670","6.2002","0.0015","12.596","0.003","10.443","0.003","90","","90","","90","","815.6","0.4","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","","trichloro(dimethylselenide)gallium(III)","","- C2 H6 Cl3 Ga Se -","- C2 H6 Cl3 Ga Se -","- C8 H24 Cl12 Ga4 Se4 -","4","0.5","","Gurnani, Chitra; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, characterisation and structures of thio-, seleno- and telluro-ether complexes of gallium(iii)","Dalton Transactions","2008","","44","6274","6282","10.1039/b810005e","","","0.71073","MoKα","","0.0253","0.0216","","","0.0513","0.0536","","","","","","1.076","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7006289","15.001","0.007","14.016","0.007","20.654","0.01","90","","90","","90","","4343","4","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C26 H27 Ag2 Cl4 Co N13 O19 -","- C26 H25 Ag2 Cl4 Co N13 O19 -","- C104 H100 Ag8 Cl16 Co4 N52 O76 -","4","0.5","","Beauchamp, Derek A.; Loeb, Stephen J.","Coordination polymers with 4,4'-bipyrimidine. Using a combination of endo- and exodentate donors to build a one-dimensional Ag(I) ladder and a heterometallic Co(II)Ag(I)2 network.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4760","4762","10.1039/b711960g","","","0.71073","MoKα","","0.1049","0.1037","","","0.2461","0.2468","","","","","","1.299","","","","has coordinates,has disorder","179766","2020-10-21","18:00:00",""
"7006645","10.8783","0.0009","19.9993","0.0016","22.3327","0.0018","90","","90","","90","","4858.7","0.7","100","2","100","2","","","","","","","","9","P b c m","-P 2c 2b","57","","","","- C49 H45 B Cl5 F4 N Ni O P2 -","- C49 H45 B Cl5 F4 N Ni O P2 -","- C196 H180 B4 Cl20 F16 N4 Ni4 O4 P8 -","4","0.5","","Schneider, Sabine K.; Julius, Gerrit R.; Loschen, Christoph; Raubenheimer, Helgard G.; Frenking, Gernot; Herrmann, Wolfgang A.","A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1226","1233","10.1039/b512419k","","","0.71073","MoKα","","0.1018","0.0608","","","0.1345","0.152","","","","","","1.028","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7008363","8.139","0.002","15.891","0.004","17.5","0.005","90","","90","","90","","2263.4","1","213","2","213","2","","","","","","","","5","P b c m","-P 2c 2b","57","Pd3(OAc)6CH2Cl2","","","- C13 H20 Cl2 O12 Pd3 -","- C13 H20 Cl2 O12 Pd3 -","- C52 H80 Cl8 O48 Pd12 -","4","0.5","","Bakhmutov, Vladimir I.; Berry, John F.; Cotton, F. Albert; Ibragimov, Sergey; Murillo, Carlos A.","Non-trivial behavior of palladium(II) acetate.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1989","1992","10.1039/b502122g","","","0.71073","MoKα","","0.0244","0.0214","","","0.0563","0.0583","","","","","","1.005","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7009954","7.698","0.011","15.134","0.017","19.061","0.023","90","","90","","90","","2221","5","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C16 H21 Cl F6 N3 P Ru S3 -","- C16 H21 Cl F6 N3 P Ru S3 -","- C64 H84 Cl4 F24 N12 P4 Ru4 S12 -","4","0.5","","Madureira, João; Santos, Teresa M.; Goodfellow, Brian J.; Lucena, Mónica; Pedrosa de Jesus, Júlio; Santana-Marques, Maria G.; Drew, Michael G. B.; Félix, Vítor","Structural characterisation of new RuII[9]aneS3 polypyridylic complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4422","","10.1039/b004752j","","","0.71073","MoKα","","0.0634","0.0446","","","0.1197","0.1296","","","","","","1.11","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7010160","8.7922","0.0009","14.3189","0.0011","15.9028","0.0014","90.002","0.007","89.993","0.008","89.992","0.008","2002.1","0.3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C14 H32 Cl Fe N S3 -","- C14 H32 Cl Fe N2 S3 -","- C56 H128 Cl4 Fe4 N8 S12 -","4","0.5","","Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Iron, cobalt and vanadium complexes of the N(CH2CH2S)33− ligand with chloride, azide, cyanide and carbonyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","24","4694","","10.1039/b006591i","","","0.71069","MoKα","","0.054","0.0396","","0.1125","0.1008","","","","1.066","1.115","1.115","","","","","has coordinates,has disorder","179805","2020-10-21","18:00:00",""
"7010162","8.853","0.0007","14.18","0.0011","15.869","0.0015","90","","90","","90","","1992.1","0.3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C15 H32 Fe N2 O S3 -","- C15 H32 Fe N2 O S3 -","- C60 H128 Fe4 N8 O4 S12 -","4","0.5","","Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Iron, cobalt and vanadium complexes of the N(CH2CH2S)33− ligand with chloride, azide, cyanide and carbonyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","24","4694","","10.1039/b006591i","","","0.71069","Mo-Kα","","0.082","0.0462","","0.1234","0.1029","","","","1.033","1.142","1.142","","","","","has coordinates,has disorder","179805","2020-10-21","18:00:00",""
"7010165","8.865","0.0011","14.1311","0.0014","15.757","0.002","90","0.008","90","0.009","90","0.009","1973.9","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C15 H32 Co N3 S3 -","- C15 H32 Co N3 S3 -","- C60 H128 Co4 N12 S12 -","4","0.5","","Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Iron, cobalt and vanadium complexes of the N(CH2CH2S)33− ligand with chloride, azide, cyanide and carbonyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","24","4694","","10.1039/b006591i","","","0.71069","Mo-Kα","","0.1006","0.0459","","0.1232","0.0945","","","","0.972","1.066","1.066","","","","","has coordinates,has disorder","179805","2020-10-21","18:00:00",""
"7010388","14.4825","0.0011","13.6742","0.001","16.886","0.0014","90","","90","","90","","3344","0.4","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C37 H27 Co2 N O6 P2 -","- C37 H27 Co2 N O6 P2 -","- C148 H108 Co8 N4 O24 P8 -","4","0.5","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0353","0.0322","","","0.0765","0.0794","","","","","","1.071","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7011091","8.9215","0.0009","14.1773","0.0014","15.7017","0.0013","90","","90","","90","","1986","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","Complex 6","","","- C15 H32 Fe N3 S3 -","- C15 H32 Fe N3 S3 -","- C60 H128 Fe4 N12 S12 -","4","0.5","","Sian C. Davies; David L. Hughes; Raymond L. Richards; J. Roger Sanders","Dinuclear iron and vanadium complexes of the N(CH2CH2S)33− ligand with bridging oxide, nitride or cyanide","J. Chem. Soc., Dalton Trans.","2002","","7","1442","1447","10.1039/b107399k","","","0.71069","Mo-Kα","","0.0886","0.046","","0.1232","0.0994","","","","1.021","1.128","1.128","","","","","has coordinates,has disorder","179814","2020-10-21","18:00:00",""
"7012221","8.89","0.004","6.243","0.004","14.452","0.005","90","","90","","90","","802.1","0.7","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","silver(i)sodium(i)croconate solvated","","- C5 H4 Ag Na O7 -","- C5 H4 Ag Na O7 -","- C20 H16 Ag4 Na4 O28 -","4","0.5","","Maji, Tapas Kumar; Konar, Sanjit; Mostafa, Golam; Zangrando, Ennio; Lu, Tian-Huey; Ray Chaudhuri, Nirmalendu","Self-assembly of new three-dimensional molecular architectures of Cd(II) and Ag(I)‒Na(I) using croconate as a building block","Dalton Transactions","2003","","2","171","","10.1039/b208933p","","","0.71073","mokα","","0.0427","0.038","","","0.1049","0.1099","","","","","","1.081","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013769","10.973","0.001","20.054","0.001","22.59","0.001","90","0.01","90","0.01","90","0.01","4971","0.6","175","2","175","2","","","","","","","","9","P b c m","-P 2c 2b","57","Chloro(2-methoxy-N-methylquinolin-4- yl)bis(triphenylphosphine) palladium(ii)","Chloro(2-methoxy-N-methylquinolin-4-yl)bis(triphenylphosphine) palladium(II)","","- C49 H45 B Cl5 F4 N O P2 Pd -","- C49 H45 B Cl5 F4 N O P2 Pd -","- C196 H180 B4 Cl20 F16 N4 O4 P8 Pd4 -","4","0.5","","Meyer, Wolfgang H.; Deetlefs, Maggel; Pohlmann, Michael; Scholz, Roland; Esterhuysen, Matthias W.; Julius, Gerrit R.; Raubenheimer, Helgard G.","Preparation and characterisation of palladium, platinum and manganese di(organo)carbene complexes from quinolinone and quinolinium precursors.","Dalton transactions (Cambridge, England : 2003)","2004","","3","413","420","10.1039/b314217p","","","0.71073","MoKα","","0.0423","0.0332","","","0.0916","0.097","","","","","","1.083","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7017502","7.1273","0.0007","14.2131","0.0009","34.705","0.002","90","","90","","90","","3515.7","0.5","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H27 Ag5 N10 O18 S4 -","- C20 H27 Ag5 N10 O18 S4 -","- C80 H108 Ag20 N40 O72 S16 -","4","0.5","","Leszczyński, Piotr J; Budzianowski, Armand; Dobrzycki, Lukasz; Cyrański, Michał K; Derzsi, Mariana; Grochala, Wojciech","Thermal and chemical decomposition of di(pyrazine)silver(II) peroxydisulfate and unusual crystal structure of a Ag(I) by-product.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","396","402","10.1039/c1dt10744e","","","0.71073","MoKα","","0.0904","0.0702","","","0.2242","0.232","","","","","","1.119","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7018022","7.8153","0.0002","10.2643","0.0003","8.6098","0.0002","90","","90","","90","","690.67","0.03","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Al7 Mo Pd2 -","- Al16.1348 Mo2 Pd3.8652 -","- Al32.2696 Mo4 Pd7.7304 -","2","0.25","","Khan, Atta U.; Rogl, P.; Giester, G.","Crystal structure of novel compounds in the systems Zr-Cu-Al, Mo-Pd-Al and partial phase equilibria in the Mo-Pd-Al system.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2296","2303","10.1039/c1dt11972a","","","0.71073","MoKα","","0.0511","0.0287","","","0.0402","0.0437","","","","","","1.043","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7025929","12.47","0.0002","6.135","0.0004","12.064","0.0004","90","","90","","90","","922.94","0.07","298","5","298","5","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Fe Gd Sb3 -","- Fe Gd Sb3 -","- Fe8 Gd8 Sb24 -","8","1","","Phelan, W. Adam; Nguyen, Giang V.; Karki, Amar B.; Young, David P.; Chan, Julia Y.","Synthesis, structure, magnetic and transport properties of LnFeSb3 (Ln = Pr, Nd, Sm, Gd, and Tb)‒tuning of anisotropic long-range magnetic order as a function of Ln.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6403","6409","10.1039/c0dt00058b","","","0.71073","MoKα","","0.0343","0.0288","","","0.0651","0.0706","","","","","","1.156","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7025930","12.679","0.0002","6.163","0.0003","12.137","0.0003","90","","90","","90","","948.39","0.05","298","5","298","5","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Fe Nd Sb3 -","- Fe Nd Sb3 -","- Fe8 Nd8 Sb24 -","8","1","","Phelan, W. Adam; Nguyen, Giang V.; Karki, Amar B.; Young, David P.; Chan, Julia Y.","Synthesis, structure, magnetic and transport properties of LnFeSb3 (Ln = Pr, Nd, Sm, Gd, and Tb)‒tuning of anisotropic long-range magnetic order as a function of Ln.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6403","6409","10.1039/c0dt00058b","","","0.71073","MoKα","","0.0419","0.0379","","","0.1033","0.1125","","","","","","1.12","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7025931","12.749","0.0002","6.173","0.0004","12.159","0.0005","90","","90","","90","","956.91","0.07","298","5","298","5","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Fe Pr Sb3 -","- Fe Pr Sb3 -","- Fe8 Pr8 Sb24 -","8","1","","Phelan, W. Adam; Nguyen, Giang V.; Karki, Amar B.; Young, David P.; Chan, Julia Y.","Synthesis, structure, magnetic and transport properties of LnFeSb3 (Ln = Pr, Nd, Sm, Gd, and Tb)‒tuning of anisotropic long-range magnetic order as a function of Ln.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6403","6409","10.1039/c0dt00058b","","","0.71073","MoKα","","0.0365","0.0348","","","0.0952","0.1043","","","","","","1.248","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7025932","12.549","0.0001","6.144","0.0004","12.091","0.0004","90","","90","","90","","932.23","0.07","298","5","298","5","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Fe Sb3 Sm -","- Fe Sb3 Sm -","- Fe8 Sb24 Sm8 -","8","1","","Phelan, W. Adam; Nguyen, Giang V.; Karki, Amar B.; Young, David P.; Chan, Julia Y.","Synthesis, structure, magnetic and transport properties of LnFeSb3 (Ln = Pr, Nd, Sm, Gd, and Tb)‒tuning of anisotropic long-range magnetic order as a function of Ln.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6403","6409","10.1039/c0dt00058b","","","0.71073","MoKα","","0.0327","0.0301","","","0.076","0.0819","","","","","","1.189","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7025933","12.392","0.0002","6.122","0.0004","12.023","0.0004","90","","90","","90","","912.11","0.07","298","5","298","5","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Fe Sb3 Tb -","- Fe Sb3 Tb -","- Fe8 Sb24 Tb8 -","8","1","","Phelan, W. Adam; Nguyen, Giang V.; Karki, Amar B.; Young, David P.; Chan, Julia Y.","Synthesis, structure, magnetic and transport properties of LnFeSb3 (Ln = Pr, Nd, Sm, Gd, and Tb)‒tuning of anisotropic long-range magnetic order as a function of Ln.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6403","6409","10.1039/c0dt00058b","","","0.71073","MoKα","","0.0612","0.0582","","","0.1585","0.163","","","","","","1.129","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7026264","7.077","0.002","14.62","0.005","7.305","0.002","90","","90","","90","","755.8","0.4","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- I La O9 V2 -","- I La O9 V2 -","- I4 La4 O36 V8 -","4","0.5","","Sun, Chuan-Fu; Hu, Ting; Xu, Xiang; Mao, Jiang-Gao","Syntheses, crystal structures, and properties of three new lanthanum(III) vanadium iodates.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7960","7967","10.1039/c0dt00305k","","","0.71073","MoKα","","0.0241","0.023","","","0.0577","0.0586","","","","","","1.169","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026799","8.5581","0.0008","18.0603","0.0009","7.4262","0.0006","90","","90","","90","","1147.81","0.15","120","2","120","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C5 H12 Cl2 N2 O Pt S -","- C5 H12 Cl2 N2 O Pt S -","- C20 H48 Cl8 N8 O4 Pt4 S4 -","4","0.5","","Anisimova, Tatyana B.; Bokach, Nadezhda A.; Luzyanin, Konstantin V.; Haukka, Matti; Kukushkin, Vadim Yu","Push-pull nitrile ligands exhibit specific hydration patterns.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10790","10798","10.1039/c0dt00711k","","","0.71073","MoKα","","0.0366","0.0249","","","0.0538","0.0576","","","","","","1.09","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7028112","12.506","0.007","13.946","0.003","13.755","0.003","90","","90","","90","","2399","1.5","173","2","173","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C14 H35 Al I2 O Si3 -","- C14 H35 Al I2 O Si3 -","- C56 H140 Al4 I8 O4 Si12 -","4","0.5","","Al-Juaid, Salih S.; Eaborn, Colin; Gorrell, Ian B.; Hawkes, Simon A.; Hitchcock, Peter B.; Smith, J. David","Reactions of the alkyltrihydroaluminate [Li(thf )2{AlH3[C(SiMe3)3]}]2. Crystal structures of [Li(tmen)2][AlH3{C(SiMe3)3}], [AlBr2{C(SiMe3)3}]·thf, [AlI2{C(SiMe3)3}]·thf, [Li(thf )2(μ-NHPh)2{AlH[C(SiMe3)3]}] and [Li(thf )4][Al(NHPh)3{C(SiMe3)3}]","Journal of the Chemical Society, Dalton Transactions","1998","","14","2411","","10.1039/a802145g","","","0.71073","MoKα","","0.0444","0.0302","","0.0821","0.0762","","","","1.064","1.104","1.104","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028114","12.558","0.004","13.394","0.004","13.434","0.006","90","","90","","90","","2259.6","1.4","173","2","173","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C14 H35 Al Br2 O Si3 -","- C14 H35 Al Br2 O Si3 -","- C56 H140 Al4 Br8 O4 Si12 -","4","0.5","","Al-Juaid, Salih S.; Eaborn, Colin; Gorrell, Ian B.; Hawkes, Simon A.; Hitchcock, Peter B.; Smith, J. David","Reactions of the alkyltrihydroaluminate [Li(thf )2{AlH3[C(SiMe3)3]}]2. Crystal structures of [Li(tmen)2][AlH3{C(SiMe3)3}], [AlBr2{C(SiMe3)3}]·thf, [AlI2{C(SiMe3)3}]·thf, [Li(thf )2(μ-NHPh)2{AlH[C(SiMe3)3]}] and [Li(thf )4][Al(NHPh)3{C(SiMe3)3}]","Journal of the Chemical Society, Dalton Transactions","1998","","14","2411","","10.1039/a802145g","","","0.71073","MoKα","","0.162","0.065","","0.1344","0.1024","","","","1.041","1.146","1.146","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7029106","6.205","0.004","12.603","0.008","10.479","0.006","90","","90","","90","","819.5","0.9","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","trichloro(dimethylselenide)aluminium","","- C2 H6 Al Cl3 Se -","- C2 H6 Al Cl3 Se -","- C8 H24 Al4 Cl12 Se4 -","4","0.5","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0426","0.0387","","","0.0927","0.0956","","","","","","1.128","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029109","6.2476","0.0013","13.114","0.003","10.514","0.002","90","","90","","90","","861.4","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","[(Methyltellanyl)methane]trichloroaluminium(III)","","- C2 H6 Al Cl3 Te -","- C2 H6 Al Cl3 Te -","- C8 H24 Al4 Cl12 Te4 -","4","0.5","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0223","0.0183","","","0.0342","0.0353","","","","","","1.007","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029110","6.562","0.003","13.4","0.005","10.724","0.004","90","","90","","90","","943","0.7","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","[(Methyltellanyl)methane]tribromoaluminium(III)","","- C2 H6 Al Br3 Te -","- C2 H6 Al Br3 Te -","- C8 H24 Al4 Br12 Te4 -","4","0.5","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0684","0.0648","","","0.1633","0.1678","","","","","","1.092","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029932","10.7261","0.0009","18.1929","0.0015","20.3465","0.0018","90","","90","","90","","3970.4","0.6","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C32 H52 B10 N2 -","- C32 H52 B10 N2 -","- C128 H208 B40 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1161","0.0664","","","0.175","0.1982","","","","","","1.002","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7031394","9.399","0.007","12.413","0.009","13.5909","0.001","90","","90","","90","","1585.6","1.7","100","","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- H7.5 I0.5 Lu2 O6.5 -","- I0.5 Lu2 O6.5 -","- I4 Lu16 O52 -","8","1","","Southworth, Faye Y.; Wilson, Claire; Coles, Simon J.; Fogg, Andrew M.","Synthesis and characterisation of a new anion exchangeable layered hydroxyiodide.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10451","10455","10.1039/c4dt00123k","","","0.6889","","","0.1148","0.0833","","","0.2135","0.2367","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032816","8.299","0.0006","17.4242","0.0013","15.3765","0.0012","90","","90","","90","","2223.5","0.3","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C18 H32 F6 P S Sb -","- C18 H32 F6 P S Sb -","- C72 H128 F24 P4 S4 Sb4 -","4","0.5","","Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.","Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","110","118","10.1039/c4dt02253j","","","0.71073","MoKα","","0.1729","0.1274","","","0.2614","0.2782","","","","","","1.206","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7033853","20.7677","0.0015","11.7553","0.0009","28.509","0.002","90","","90","","90","","6959.9","0.9","291","2","291","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C56 H40 Co N8 O6 -","- C56 H40 Co N8 O6 -","- C224 H160 Co4 N32 O24 -","4","0.5","","Zheng, Meng-Xi; Gao, Xiang-Jing; Zhang, Chuan-Lei; Qin, Ling; Zheng, He-Gen","Assembly of various degrees of interpenetration of Co-MOFs based on mononuclear or dinuclear cluster units: magnetic properties and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4751","4758","10.1039/c4dt04011b","","","0.71073","MoKα","","0.0496","0.0484","","","0.1235","0.1238","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7037339","8.015","0.002","13.868","0.002","15.566","0.003","90","","90","","90","","1730.2","0.6","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","[MeIAl{(4-Me-NCOC6H3)2CH}]","Iodo methyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C18 H16 Al I N2 O2 -","- C18 H16 Al I N2 O2 -","- C72 H64 Al4 I4 N8 O8 -","4","0.5","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.56086","AgKα","","0.0294","0.0222","","","0.0516","0.0542","","","","","","1.081","","","","has coordinates,has disorder","181744","2020-10-21","18:00:00",""
"7037360","13.3693","0.0004","20.9222","0.0006","24.82","0.0008","90","","90","","90","","6942.5","0.4","150","2","150","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C69 H110 Mg N3 Na O6 Si -","- C69 H110 Mg N3 Na O6 Si -","- C276 H440 Mg4 N12 Na4 O24 Si4 -","4","0.5","","Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva","Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6175","6182","10.1039/c5dt04044b","","","0.71073","MoKα","","0.092","0.0672","","","0.1723","0.1919","","","","","","1.04","","","","has coordinates,has disorder","181732","2020-10-21","18:00:00",""
"7043127","9.7799","0.001","15.9328","0.0017","43.47","0.004","90","","90","","90","","6773.5","1.2","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C25 H28.5 Cl3 Co N6.5 O12.5 -","- C25 H27.5 Cl3 Co N6.5 O12.5 -","- C200 H220 Cl24 Co8 N52 O100 -","8","1","","S, Anjana; Saloisanei, Donring; Panda, Sanjib; Varghese, Babu; Murthy, Narasimha N.","Controlling oxidation of bis-tridentate cobalt(II) complexes having bis(2-pyridylalkyl)amines: Ligand vs. metal oxidation","Dalton Trans.","2017","","","","","10.1039/C7DT01792H","","","0.71073","MoKα","","0.1655","0.1084","","","0.2445","0.2735","","","","","","1.097","","","","has coordinates,has disorder","196991","2020-10-21","18:00:00",""
"7043987","9.1904","0.0003","18.4142","0.0007","7.998","0.0003","90","","90","","90","","1353.53","0.08","294","2","294.36","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C11 H13 Cd N O8 -","- C11 H13 Cd N O8 -","- C44 H52 Cd4 N4 O32 -","4","0.5","","Cao, Li-Hui; Li, Hai-Yang; Xu, Hong; Wei, Yong-Li; Zang, Shuang-Quan","Diverse dissolution-recrystallization structural transformations and sequential Förster resonance energy transfer behavior of a luminescent porous Cd-MOF","Dalton Transactions","2017","46","35","11656","11663","10.1039/c7dt02697h","","","0.71073","MoKα","","0.0439","0.0353","","","0.0902","0.0942","","","","","","1.055","","","","has coordinates,has disorder","218748","2020-10-21","18:00:00",""
"7044702","10.739","0.011","9.967","0.011","14.35","0.015","90","","90","","90","","1536","3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C20 H56 Cl12 K4 N8 O48 -","4","0.5","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.1264","0.121","","","0.3235","0.3286","","","","","","1.247","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7044704","10.682","0.01","9.876","0.01","14.264","0.014","90","","90","","90","","1505","3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C20 H56 Cl12 K4 N8 O48 -","4","0.5","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.1254","0.0896","","","0.2411","0.2758","","","","","","1.193","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7045446","7.292","0.003","10.039","0.003","10.396","0.004","90","","90","","90","","761","0.5","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B2 Cs2 La Li O6 -","- B2 Cs2 La Li O6 -","- B8 Cs8 La4 Li4 O24 -","4","0.5","","Ma, Ruru; Yang, Yun; Hu, Cong; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie","LiCs<sub>2</sub>La(BO<sub>3</sub>)<sub>2</sub> and Li<sub>3</sub>K<sub>9</sub>La<sub>3</sub>(BO<sub>3</sub>)<sub>7</sub>: new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3512","3520","10.1039/c7dt04830k","","","0.71073","MoKα","","0.0183","0.0164","","","0.0376","0.0383","","","","","","1.117","","","","has coordinates","229243","2020-10-21","18:00:00",""
"7046054","4.553","0.005","17.8","0.02","8.797","0.011","90","","90","","90","","712.9","1.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Bi2 F5 K O3 Se -","- Bi2 F5 K O3 Se -","- Bi8 F20 K4 O12 Se4 -","4","0.5","","Shi, Shuangshuang; Luo, Min; Lin, Chensheng; Ye, Ning","A cation size effect on the framework structures in ABi<sub>2</sub>SeO<sub>3</sub>F<sub>5</sub> (A = K and Rb): first examples of alkali metal bismuth selenite fluorides.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6598","6604","10.1039/c8dt00450a","","","0.71073","MoKα","","0.0418","0.0385","","","0.0881","0.0903","","","","","","1.186","","","","has coordinates","229878","2020-10-21","18:00:00",""
"7046287","9.8257","0.0002","14.6666","0.0003","23.2957","0.0004","90","","90","","90","","3357.13","0.11","250","","250","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C9 H12 Bi2 I9 N3 S3 -","- C9.0012 H12 Bi2 I9 N3.0004 S3 -","- C36.0048 H48 Bi8 I36 N12.0016 S12 -","4","0.5","","Li, Tianyue; Wang, Qifei; Nichol, Gary S.; Morrison, Carole A.; Han, Hongwei; Hu, Yue; Robertson, Neil","Extending lead-free hybrid photovoltaic materials to new structures: thiazolium, aminothiazolium and imidazolium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7050","7058","10.1039/c8dt00864g","","x-ray","0.71073","MoKα","","0.0609","0.059","","","0.1151","0.1159","","","","","","1.332","","","","has coordinates,has disorder","229703","2020-10-21","18:00:00",""
"7046925","16.1584","0.0006","24.8434","0.0011","23.591","0.001","90","","90","","90","","9470.1","0.7","153","2","153","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C60 H151 Na O28 Sn12 -","- C60 H140 Na O28 Sn12 -","- C240 H560 Na4 O112 Sn48 -","4","0.5","","Hutchison, Danielle C.; Stern, Rebecca D.; Olsen, Morgan R.; Zakharov, Lev N.; Persson, Kristin A.; Nyman, May","Alkyltin clusters: the less symmetric Keggin isomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9804","9813","10.1039/c8dt01950a","","","1.54178","CuKα","","0.1143","0.072","","","0.1765","0.2131","","","","","","1.056","","","","has coordinates,has disorder","229170","2020-10-21","18:00:00",""
"7047329","9.8238","0.0011","12.5892","0.0016","20.661","0.003","90","","90","","90","","2555.2","0.6","173","2","173","2","","","","","","","","3","P b c m","-P 2c 2b","57","Tetrapropylammonium uranyl oxyfluoride","","","- F7 O7 U3 -","- F7 O7 U3 -","- F28 O28 U12 -","4","0.5","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0321","0.0213","","","0.0426","0.0449","","","","","","0.975","","","","has coordinates,has disorder","210040","2020-10-21","18:00:00",""
"7047441","15.142","0.003","10.635","0.002","19.47","0.004","90","","90","","90","","3135.4","1.1","98","2","98","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H25 Fe Gd N14 O11.5 -","- C20 H25 Fe Gd N14 O11.5 -","- C80 H100 Fe4 Gd4 N56 O46 -","4","0.5","","Shiga, Takuya; Miyamoto, Haruka; Newton, Graham N.; Oshio, Hiroki","Two-electron redox-active tricyano iron(ii) complex with 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine as a building block for coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13402","13407","10.1039/c8dt02315h","","","0.71073","MoKα","","0.0896","0.0559","","","0.1277","0.1429","","","","","","1.101","","","","has coordinates","230015","2020-10-21","18:00:00",""
"7049914","8.186","0.0001","12.7339","0.0002","17.966","0.0003","90","","90","","90","","1872.77","0.05","180","2","180","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C16 H12 Cl F8 N2 P Ru -","- C16 H12 Cl F8 N2 P Ru -","- C64 H48 Cl4 F32 N8 P4 Ru4 -","4","0.5","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71073","MoKα","","0.0393","0.0324","","","0.0972","0.0995","","","","","","1.094","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7050140","7.997","0.003","14.278","0.002","17.219","0.002","90","","90","","90","","1966.1","0.8","296.2","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H22 Fe N2 O5 -","- C20 H17 Fe N2 O5 -","- C80 H68 Fe4 N8 O20 -","4","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0565","","","","0.1707","","","","","","1.162","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7051491","12.651","0.002","14.571","0.002","6.649","0.001","90","","90","","90","","1225.7","0.3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","0.5","","","","New Journal of Chemistry","1999","","","","","10.1039/a906111h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051765","8.7394","0.0004","27.7882","0.0016","31.3773","0.0016","90","","90","","90","","7620","0.7","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C85.5 H55 Cd Cl3 Cu2 N14 O6.5 -","- C85.5 H52 Cd Cl3 Cu2 N14 O6.5 -","- C342 H208 Cd4 Cl12 Cu8 N56 O26 -","4","0.5","","Deiters, Emmanuel; Bulach, Véronique; Wais Hosseini, Mir","Molecular tectonics: ribbon type coordination networks based on porphyrins bearing two pyridine or two pyridine N-oxide units","New Journal of Chemistry","2008","32","1","99","","10.1039/b708352a","","","0.71073","MoKα","","0.2138","0.1123","","","0.2858","0.3157","","","","","","1.566","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052565","11.4051","0.0003","19.155","0.0005","26.914","0.001","90","","90","","90","","5879.8","0.3","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C90 H8 Cl6 F24 -","- C90 H8 Cl6 F24 -","- C360 H32 Cl24 F96 -","4","0.5","","Goryunkov, Alexey A.; Samokhvalova, Nadezhda A.; Khavrel, Pavel A.; Belov, Nikita M.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Troyanov, Sergey I.","Regioselective near-equatorial chlorination of Cs-C70(CF3)8","New Journal of Chemistry","2011","35","1","32","","10.1039/c0nj00591f","","","0.905","synchrotron","","0.1015","0.0944","","","0.2129","0.2132","","","","","","1.135","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7054744","8.1715","0.0001","29.4539","0.0005","6.6398","0.0001","90","","90","","90","","1598.08","0.04","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H16 N3 O7 V -","- C14 H16 N3 O7 V -","- C56 H64 N12 O28 V4 -","4","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0429","0.0323","","","0.0825","0.0879","","","","","","1.054","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7055323","12.692","0.003","14.424","0.003","21.492","0.004","90","","90","","90","","3934.5","1.4","293","2","293","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C22 H12 Mn3 O16 -","- C22 H12 Mn3 O16 -","- C88 H48 Mn12 O64 -","4","0.5","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71073","MoKα","","0.1111","0.0852","","","0.173","0.1845","","","","","","1.151","","","","has coordinates,has disorder","181775","2020-10-21","18:00:00",""
"7055768","15.331","0.002","10.6223","0.0014","25.494","0.003","90","","90","","90","","4151.7","0.9","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","HbimcaPh2HBF4","3,6-Di-tert-butyl-1,8-bis(3-phenylimidazolium)carbazole bis(tetrafluoroborate)","","- C38 H39 B2 F8 N5 -","- C38 H39 B2 F8 N5 -","- C152 H156 B8 F32 N20 -","4","0.5","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.1015","0.0636","","","0.1224","0.1379","","","","","","1.078","","","","has coordinates","188258","2020-10-21","18:00:00",""
"7056637","4.2229","0.0006","13.994","0.002","42.276","0.006","90","","90","","90","","2498.3","0.6","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H16 Ba Cl6 O10 -","- C16 H16 Ba Cl6 O10 -","- C64 H64 Ba4 Cl24 O40 -","4","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","A facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ03046K","","","0.71073","MoKα","","0.0652","0.0589","","","0.1655","0.1764","","","","","","1.178","","","","has coordinates","201495","2020-10-21","18:00:00",""
"7057679","8.361","0.0011","15.124","0.002","6.2921","0.0008","90","","90","","90","","795.65","0.18","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C3 H4 N9 Na O3 -","- C3 H4 N9 Na O3 -","- C12 H16 N36 Na4 O12 -","4","0.5","","Zhao, Gang; He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Improving the density and properties of nitrogen-rich scaffolds by the introduction of a C‒NO2 group","New Journal of Chemistry","2018","42","19","16162","","10.1039/C8NJ03472A","","","0.71073","MoKα","","0.0557","0.0346","","","0.0828","0.0913","","","","","","1.064","","","","has coordinates","230323","2020-10-21","18:00:00",""
"7058584","11.6214","0.0004","13.4677","0.0005","25.1952","0.0008","90","","90","","90","","3943.4","0.2","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H36 N3 O8 V3 -","- C16 H12 O13 V3 -","- C64 H48 O52 V12 -","4","0.5","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.0555","0.0391","","","0.1073","0.1174","","","","","","1.053","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7062186","11.8872","0.0017","16.579","0.003","33.608","0.004","90","","90","","90","","6623.4","1.7","110","2","110","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H30 Cl4 N2 Zn -","- C31 H30 Cl4 N2 Zn -","- C248 H240 Cl32 N16 Zn8 -","8","1","","Zakrzewska, Małgorzata E.; André, Paulo J. L.; Gomes, Clara S. B.; Nunes, Ana V. M.; Rosa, Vitor","Zinc complexes bearing BIAN ligands as efficient catalysts for the formation of cyclic carbonates from CO2 and epoxides","New Journal of Chemistry","2023","47","14","6551","6562","10.1039/D2NJ05621F","","x-ray","0.71073","MoKα","","0.1555","0.0997","","","0.2804","0.3049","","","","","","1.062","","","","has coordinates","283406","2023-05-05","03:02:42",""
"7062755","12.4547","0.0005","12.4059","0.0005","17.6397","0.0007","90","","90","","90","","2725.54","0.19","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H22 Ir N O12 Ru3 -","- C20 H22 Ir N O12 Ru3 -","- C80 H88 Ir4 N4 O48 Ru12 -","4","0.5","","Forti, Francesca; Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Heterometallic Ru–Ir carbonyl clusters as catalyst precursors for hydrogenation and hydrogen transfer reactions","New Journal of Chemistry","2023","47","41","19289","19303","10.1039/D3NJ03478J","","","0.71073","MoKα","","0.0753","0.0734","","","0.1898","0.1915","","","","","","1.163","","","","has coordinates,has disorder","287365","2023-11-06","07:56:56",""
"7100348","9.8916","0.001","18.9476","0.0019","5.7848","0.0006","90","","90","","90","","1084.2","0.19","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C11 H5 Cu F5 N -","- C11 H5 Cu F5 N -","- C44 H20 Cu4 F20 N4 -","4","0.5","","Frieder Jaekle; Arnold Rheingold; Anand Sundararaman; Lev N. Zakharov","Competition of Cuprophilic and p-Stacking Interactions in the Formation of Supramolecular Stacks from Organocopper Complexes","Chemical Communications","2005","","","","","10.1039/b417532h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7102483","9.27","0.003","11.819","0.004","20.639","0.008","90","","90","","90","","2261.3","1.4","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C16 H26 Co N4 O8 S -","- C14 H18 Co N4 O6 S -","- C56 H72 Co4 N16 O24 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M","A new type of entanglement involving one-dimensional ribbons of rings catenated to a three-dimensional network in the nanoporous structure of [Co(bix)2(H2O)2](SO4).7H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene].","Chemical communications (Cambridge, England)","2004","","4","380","381","10.1039/b314322h","","","0.71073","MoKα","","0.0863","0.0518","","0.1532","0.1384","","","","0.991","","","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7103193","3.9034","0.0003","15.7268","0.0013","5.3245","0.0005","90","","90","","90","","326.86","0.05","150","","150","1","","","","","","","see paper","4","P b c m","-P 2c 2b","57","","Ag(CN)(NH3) at 150K (form II)","","- C H3 Ag N2 -","- C H3 Ag N2 -","- C4 H12 Ag4 N8 -","4","0.5","","Chippindale, Ann M; Head, Laura E; Hibble, Simon J","Simple linear asymmetrical complexes of silver(I): NC-Ag-NH3 and Br-Ag-NH3.","Chemical communications (Cambridge, England)","2008","","26","3010","3012","10.1039/b803500h","","","0.71073","MoKα","","0.0297","0.0154","","0.0171","0.017","0.017","","","","","","1.0466","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103494","4.9051","0.001","22.596","0.003","20.973","0.003","90","","90","","90","","2324.5","0.7","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","(1,4,8,11- tetrathiacyclotetradecane)bis(dichlorogermanium(ii)) dichloromethane solvate","(1,4,8,11-tetrathiacyclotetradecane)bis(dichlorogermanium(II)) dichloromethane solvate","","- C10.7 H21.41 Cl5.41 Ge2 S4 -","- C10.701 H21.4 Cl5.401 Ge2 S4 -","- C42.804 H85.6 Cl21.604 Ge8 S16 -","4","0.5","","Cheng, Fei; Hector, Andrew L; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Coordination networks derived from germanium(ii) thioether macrocyclic complexes-the first authenticated chalcogenoether complexes of Ge(ii).","Chemical communications (Cambridge, England)","2008","","43","5508","5510","10.1039/b809444f","","","0.71073","MoKα","","0.0876","0.0631","","","0.1405","0.1572","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103823","13.512","0.003","27.115","0.005","31.756","0.006","90","","90","","90","","11635","4","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C36 H77 Cd Cl2 I4 K3 N16 O10 -","- C36 H72 Cd Cl2 I4 K3 N16 O10 -","- C288 H576 Cd8 Cl16 I32 K24 N128 O80 -","8","1","","Bing-guang, Zhang; Dong, Guo; Chun-ying, Duan; Ping, Cai; Qing-jin, Meng","A novel pyramidal multiple alkali metal cluster [K3(H2O)]3+ stabilized within a capsule containing 16-nitrogen donors","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1836","1837","10.1039/b305001g","","","0.71073","MoKα","","0.1504","0.0759","","","0.1863","0.202","","","","","","1.022","","","","has coordinates,has disorder","288007","2023-12-04","16:16:51",""
"7104373","28.0524","0.0017","14.8658","0.0009","28.7818","0.0018","90","","90","","90","","12002.6","1.3","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C456 H308 Cu16 O142 -","- C456 H308 Cu16 O142 -","- C456 H308 Cu16 O142 -","1","0.125","","Mu, Bin; Li, Feng; Walton, Krista S","A novel metal-organic coordination polymer for selective adsorption of CO2 over CH4.","Chemical communications (Cambridge, England)","2009","34","18","2493","2495","10.1039/b819828d","","","0.71073","MoKα","","0.1021","0.0468","","","0.1425","0.1536","","","","","","1.012","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7106988","15.3345","0.0001","14.5465","0.0001","26.2229","0.0003","90","","90","","90","","5849.37","0.09","183","2","183","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C73 H85 Cu12 N27 O45 -","- C73 H85 Cu12 N27 O45 -","- C146 H170 Cu24 N54 O90 -","2","0.25","","Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke","Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes","Chem.Commun.","2011","47","","11882","","10.1039/c1cc14387e","","","0.71073","MoKα","","0.0773","0.0535","","","0.1738","0.182","","","","","","1.037","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7108415","12.2272","0.0014","14.8729","0.0017","6.6914","0.0008","90","","90","","90","","1216.9","0.2","120","","120","","","","","","","","","3","P b c m","-P 2c 2b","57","1-tert-butylindeno(2,1-c)pyran-3,9-dione","1-tert-butylindeno[2,1-c]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","0.5","","Na Wu; Antonios Messinis; Andrei S. Batsanov; Zhen Yang; Andrew Whiting; Todd B. Marder","Palladium(II)-catalysed tandem cyclization of electron-deficient aromatic enynes","Chem.Commun.","2012","48","","9986","","10.1039/c2cc35114e","","x-ray","0.71073","MoKα","K-L~3~","0.0698","0.0469","","","0.1029","0.1126","","","","","","1.044","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7110361","6.0102","0.0002","15.8808","0.0003","10.7925","0.0003","90","","90","","90","","1030.11","0.05","173","2","173","2","","","","","","","B. Luo / Prof. W. Gladfelter","5","P b c m","-P 2c 2b","57","98152a","","","- C7 H14 Cl2 Ga N -","- C7 H14 Cl2 Ga N -","- C28 H56 Cl8 Ga4 N4 -","4","0.5","","Luo, Bing; Young Jr., Victor G.; Gladfelter, Wayne L.","Syntheses and structures of quinuclidine-stabilized four- and five-coordinate mono- and di-chlorogallane","Chemical Communications","1999","","2","123","","10.1039/a807169a","","","0.71073","MoKα","","0.0407","0.0338","","0.084","0.0802","","","","1.152","1.172","1.172","","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110605","11.069","0.002","12.17","0.002","25.275","0.005","90","","90","","90","","3404.8","1.1","130","2","130","2","","","","","","","","4","P b c m","-P 2c 2b","57","Bert*GaCl2","","","- C36 H49 Cl2 Ga -","- C36 H49 Cl2 Ga -","- C144 H196 Cl8 Ga4 -","4","0.5","","Twamley, Brendan; Power, Philip P.","Characterization of 2,6-Trip2H3C6GaCl2, {2,6-Trip2H3C6InCl(μ-Cl)}2 and {2,6-Trip2H3C6GaCl(μ-OH)}2 (Trip = 2,4,6-triisopropylphenyl)","Chemical Communications","1999","","18","1805","","10.1039/a904212a","","","0.71073","MoKα","","0.1522","0.0676","","","0.0898","0.1096","","","","","","0.999","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7111512","6.328","0.003","31.404","0.014","24.166","0.011","90","","90","","90","","4802","4","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","(Ag(pyrimidine)2)3(BF4)(NTf2)2","","","- C28 H24 Ag3 B F16 N14 O8 S4 -","- C28 H24 Ag3 B F16 N14 O8 S4 -","- C112 H96 Ag12 B4 F64 N56 O32 S16 -","4","0.5","","Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.","Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?","Chemical Communications","2006","","46","4767","","10.1039/b608496f","","","0.71073","MoKα","","0.0821","0.0757","","","0.1473","0.1497","","","","","","1.36","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7112150","6.839","0.002","14.481","0.005","7.149","0.003","90","","90","","90","","708","0.4","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Thorium vanadate selenite","","","- O9 Se Th V2 -","- O9 Se Th V2 -","- O36 Se4 Th4 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0316","0.0239","","","0.0503","0.053","","","","","","1.057","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112151","7.0352","0.0006","14.5215","0.0011","7.2665","0.0006","90","","90","","90","","742.36","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Cerium vanadate iodate","","","- Ce I O9 V2 -","- Ce I O9 V2 -","- Ce4 I4 O36 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0203","0.0147","","","0.0318","0.033","","","","","","1.089","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112152","7.0009","0.0007","14.4453","0.0014","7.2344","0.0007","90","","90","","90","","731.62","0.12","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Praseodymium vanadate iodate","","","- I O9 Pr V2 -","- I O9 Pr V2 -","- I4 O36 Pr4 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0185","0.0147","","","0.0318","0.0327","","","","","","1.096","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112153","6.9863","0.0011","14.422","0.002","7.2237","0.0011","90","","90","","90","","727.83","0.19","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","neodymium vanadate iodate","","","- I Nd O9 V2 -","- I Nd O9 V2 -","- I4 Nd4 O36 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0241","0.02","","","0.0407","0.0416","","","","","","1.109","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112154","6.9439","0.001","14.303","0.002","7.188","0.001","90","","90","","90","","713.9","0.17","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Samarium vanadate iodate","","","- I O9 Sm V2 -","- I O9 Sm V2 -","- I4 O36 Sm4 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0225","0.0207","","","0.0568","0.0574","","","","","","1.22","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112155","6.9278","0.0004","14.2624","0.0009","7.172","0.0005","90","","90","","90","","708.64","0.08","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Europium vanadate iodate","","","- Eu I O9 V2 -","- Eu I O9 V2 -","- Eu4 I4 O36 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0183","0.0155","","","0.0343","0.035","","","","","","1.114","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112174","12.8859","0.00009","20.35542","0.00013","40.3562","0.0003","90","","90","","90","","10585.3","0.13","150","","150","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C52 H72 B Ga Hg N4 -","- C52 H72 B Ga Hg N4 -","- C416 H576 B8 Ga8 Hg8 N32 -","8","1","","Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge","Heavy metal boryl chemistry: complexes of cadmium, mercury and lead","Chem.Commun.","2014","50","","3841","","10.1039/C4CC00697F","","","1.5418","CuKα","","0.0486","0.0473","","0.049","0.0485","0.0484","","","","","","1.0243","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112971","7.1428","0.0019","14.203","0.004","35.245","0.01","90","","90","","90","","3575.6","1.7","298","2","298","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H26 Ag5 N10 O18 S4 -","- C20 H26 Ag5 N10 O18 S4 -","- C80 H104 Ag20 N40 O72 S16 -","4","0.5","","Sun, Di; Yang, Cheng-Feng; Xu, Hao-Ran; Zhao, Hai-Xia; Wei, Zhan-Hua; Zhang, Na; Yu, La-Jia; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization and property of a mixed-valent Ag(I)/Ag(II) coordination polymer.","Chemical communications (Cambridge, England)","2010","46","43","8168","8170","10.1039/c0cc02112a","","","0.71073","MoKα","","0.0536","0.0493","","","0.1096","0.1124","","","","","","1.073","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7114740","11.5309","0.0004","20.2376","0.0007","28.5051","0.0011","90","","90","","90","","6651.9","0.4","135","2","135","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C70 H52 Cl4 Cu F6 P5 -","- C73 H48 Cl2.89765 Cu F6 P5 -","- C292 H192 Cl11.5906 Cu4 F24 P20 -","4","0.5","","Schmitt, Elbert W.; Huffman, John C.; Zaleski, Jeffrey M.","Thermal reactivities of isostructural d10 metalloenediynes: metal-dependent Bergman cyclization","Chemical Communications","2001","","2","167","","10.1039/b008337m","","","0.71073","MoKα","","","0.0495","","","","0.061","","","","","","1.238","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115109","9.8632","0.0004","18.413","0.001","17.507","0.001","90","","90","","90","","3179.5","0.3","170","","170","","","","","","","","[Ti(NBu-t)(N2NN')] + H2N-2,6-C6H3Pri2 in C6D6","5","P b c m","-P 2c 2b","57","","[Ti(N-2,6-C6H3Pri2)(N2NN')]","","- C28 H49 N5 Si2 Ti -","- C28 H48.5 N5 Si2 Ti -","- C112 H194 N20 Si8 Ti4 -","4","0.5","","Skinner, Michael E. G.; Cowhig, David A.; Mountford, Philip","A new and versatile diamide‒diamine donor ligand set in early transition metal chemistry","Chemical Communications","2000","","13","1167","","10.1039/b002455o","","","0.71069","MoKα","","","0.0574","","","0.0434","","","","","1.1174","1.1174","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7116838","16.1402","0.0003","21.4116","0.0003","21.6902","0.0004","90","","90","","90","","7495.9","0.2","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H37 N8 O0.75 Sc -","- C45 H37 N8 O0.75 Sc -","- C360 H296 N64 O6 Sc8 -","8","1","","Rachel H. Platel; Thiago Teixeira Tasso; Wen Zhou; Taniyuki Furuyama; Nagao Kobayashi; Daniel B. Leznoff","Metallophthalocyanin-ocenes: scandium phthalocyanines with an eta^5^-bound Cp ring","Chem.Commun.","2015","51","","5986","","10.1039/C5cc00237K","","","1.54178","CuKα","","0.0827","0.0686","","","0.1935","0.2033","","","","","","1.114","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7117626","8.6043","0.001","16.622","0.002","21.331","0.003","90","","90","","90","","3050.8","0.7","100","2","100","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C27 H21 B0 Cl Co F0 N4 O2 -","- C27 H21 Cl Co N5 O2 -","- C108 H84 Cl4 Co4 N20 O8 -","4","0.5","","Das, Biswanath; Orthaber, Andreas; Ott, Sascha; Thapper, Anders","Water oxidation catalysed by a mononuclear Co(II) polypyridine complex; possible reaction intermediates and the role of the chloride ligand.","Chemical communications (Cambridge, England)","2015","51","66","13074","13077","10.1039/c5cc04148a","","","0.71073","MoKα","","0.0588","0.0428","","","0.1251","0.1485","","","","","","0.56","","","","has coordinates","152999","2020-10-21","18:00:00",""
"7120536","9.675","0.003","17.641","0.005","26.834","0.007","90","","90","","90","","4580","2","298","2","298","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C48 H62 B Co2 N3 S2 -","- C48 H62 B Co2 N3 S2 -","- C192 H248 B4 Co8 N12 S8 -","4","0.5","","Zhang, Yixin; Tong, Peng; Yang, Dawei; Li, Jianzhe; Wang, Baomin; Qu, Jingping","Migratory Insertion and Hydrogenation of a Bridging Azide in Thiolate-Bridged Dicobalt Reaction Platform","Chem. Commun.","2017","","","","","10.1039/C7CC05092E","","","0.71073","MoKα","","0.0654","0.0473","","","0.133","0.1484","","","","","","1.049","","","","has coordinates","199709","2020-10-21","18:00:00",""
"7121726","4.8201","0.0015","7.003","0.002","26.028","0.008","90","","90","","90","","878.6","0.5","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","dibutylamine","Dibutylamine","","- C8 H19 N -","- C8 H19 N -","- C32 H76 N4 -","4","0.5","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0587","0.05","","","0.1683","0.1806","","","","","","1.026","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121727","4.856","0.004","7.056","0.006","36.24","0.03","90","","90","","90","","1241.7","1.8","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","dihexylamine","dihexylamine","","- C12 H27 N -","- C12 H27 N -","- C48 H108 N4 -","4","0.5","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.1049","0.0476","","","0.1136","0.1421","","","","","","0.994","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7122394","8.8347","0.0006","21.828","0.0015","20.7072","0.0014","90","","90","","90","","3993.3","0.5","193","2","193","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C37 H73 Fe N4 P3 -","- C37 H73 Fe N4 P3 -","- C148 H292 Fe4 N16 P12 -","4","0.5","","Cavaillé, Anthony; Joyeux, Benjamin; Saffon-Merceron, Nathalie; Nebra, Noel; Fustier-Boutignon, Marie; Mézailles, Nicolas","Triphos-Fe dinitrogen and dinitrogen-hydride complexes: relevance to catalytic N<sub>2</sub> reductions.","Chemical communications (Cambridge, England)","2018","54","84","11953","11956","10.1039/c8cc07466f","","","0.71073","MoKα","","0.0596","0.0373","","","0.0837","0.0963","","","","","","1.06","","","","has coordinates,has disorder","228482","2020-10-21","18:00:00",""
"7122551","21.3685","0.0003","26.9448","0.0004","41.0041","0.0008","90","","90","","90","","23608.9","0.7","100","0.1","100","0.1","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C132 H136 F4 N26 O24 Pd2 S2 -","- C132 H136 F4 N26 O24 Pd2 S2 -","- C528 H544 F16 N104 O96 Pd8 S8 -","4","0.5","","Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan","Helicity adaptation within a quadruply stranded helicate by encapsulation.","Chemical communications (Cambridge, England)","2018","54","95","13447","13450","10.1039/c8cc07932c","","x-ray","1.54184","CuKα","","0.1072","0.0794","","","0.2359","0.2561","","","","","","0.926","","","","has coordinates","228531","2020-10-21","18:00:00",""
"7123789","8.8963","0.0011","24.68","0.003","21.421","0.003","90","","90","","90","","4703.2","1","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","","methyl 3-acetyl-1-methyl-2-phenyl-1H-indole-5-carboxylate","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C228 H204 N12 O36 -","12","1.5","","Shang, Yaping; Jonnada, Krishna; Yedage, Subhash L.; Tu, Hua; Zhang, Xiaofeng; Lou, Xin; Huang, Shijun; Su, Weiping","Rhodium(III)-Catalyzed Indole Synthesis at Room Temperature Using the Transient Oxidizing Directing Group Strategy","Chemical Communications","2019","","","","","10.1039/C9CC04529E","","","0.71073","MoKα","","0.1834","0.1253","","","0.2799","0.324","","","","","","1.087","","","","has coordinates","216844","2020-10-21","18:00:00",""
"7124445","12.129","0.0011","18.6974","0.0017","36.581","0.003","90","","90","","90","","8295.9","1.3","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C86 H60 B F24 Mn O2 P4 -","- C86 H60 B F24 Mn O2 P4 -","- C344 H240 B4 F96 Mn4 O8 P16 -","4","0.5","","Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris","Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations","Chemical Communications","2019","","","","","10.1039/C9CC06915A","","x-ray","0.71073","MoKα","","0.1076","0.0686","","","0.1601","0.1811","","","","","","1.028","","","","has coordinates","223386","2020-10-21","18:00:00",""
"7125219","5.577","0.0013","11.436","0.003","11.447","0.003","90","","90","","90","","730.1","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H13 B F3 N -","- C4 H13 B F3 N -","- C16 H52 B4 F12 N4 -","4","0.5","","Duda, Katharina; Himmelspach, Alexander; Landmann, Johannes; Kraus, Florian; Finze, Maik","Synthesis of the fluorohydridoborate anions [BHF<sub>3</sub>]<sup>-</sup> and [1-HF<sub>2</sub>B-9,12-X<sub>2</sub>-closo-1,2-C<sub>2</sub>B<sub>10</sub>H<sub>9</sub>]<sup>-</sup> (X = H, I): deboronation of 1,2- and 1,7-dicarba-closo-dodecaboranes with anhydrous [Me<sub>4</sub>N]F.","Chemical communications (Cambridge, England)","2016","52","90","13241","13244","10.1039/c6cc07711k","","","0.71073","MoKα","","0.0428","0.0365","","","0.0917","0.0954","","","","","","1.074","","","","has coordinates","234607","2020-10-21","18:00:00",""
"7126858","8.056","0.003","10.787","0.003","6.0093","0.0018","90","","90","","90","","522.2","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.71073","MoKα","","0.0467","0.0303","","","0.0618","0.0658","","","","","","1.129","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126859","8.0286","0.0008","10.776","0.01","5.88","0.0005","90","","90","","90","","508.7","0.5","293","2","293","2","","","900000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.0715","0.0645","","","","0.2066","","","","","","1.107","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126860","7.9702","0.0008","10.714","0.009","5.6247","0.0004","90","","90","","90","","480.3","0.4","293","2","293","2","","","2750000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.0719","0.0672","","","","0.2069","","","","","","1.167","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126861","7.9478","0.0016","10.61","0.02","5.5058","0.0012","90","","90","","90","","464.3","0.9","293","2","293","2","","","4200000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.058","0.0443","","","","0.1222","","","","","","1.103","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7128389","8.617","0.002","8.999","0.003","9.323","0.003","90","","90","","90","","722.9","0.4","296","2","296.15","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- B Ba2 Cl S3 -","- B Ba2 Cl S3 -","- B4 Ba8 Cl4 S12 -","4","0.5","","Zhou, Jiazheng; Chu, Yu; Li, Junjie; Pan, Shilie","Ba<sub>2</sub>BS<sub>3</sub>Cl and Ba<sub>5</sub>B<sub>2</sub>S<sub>8</sub>Cl<sub>2</sub>: first alkaline-earth metal thioborate halides with [BS<sub>3</sub>] units.","Chemical communications (Cambridge, England)","2021","57","52","6440","6443","10.1039/d1cc01510a","","","0.71073","MoKα","","0.0267","0.0222","","","0.0475","0.0491","","","","","","1.074","","","","has coordinates","267010","2021-07-05","16:15:15",""
"7130388","5.4454","0.0003","10.6284","0.0007","7.0024","0.0004","90","","90","","90","","405.27","0.04","297.15","","297.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B F H3 K O3 -","- B F H3 K O3 -","- B4 F4 H12 K4 O12 -","4","0.5","","Li, Yang; Chen, Xinglong; Ok, Kang Min","KF·B(OH)3: a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency","Chemical Communications","2022","","","","","10.1039/D2CC03495F","","","0.71073","MoKα","","0.0262","0.0236","","","0.0546","0.0556","","","","","","1.297","","","","has coordinates","276922","2022-07-25","21:53:16",""
"7131620","11.4912","0.0006","18.9552","0.0008","6.5717","0.0004","90","","90","","90","","1431.43","0.13","150","","150","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C13 H15 N5 O Pt -","- C13 H14 N5 O Pt -","- C52 H56 N20 O4 Pt4 -","4","0.5","","Sasaki, Kono; Saito, Daisuke; Yoshida, Masaki; Tanaka, Fuka; Kobayashi, Atsushi; Sada, Kazuki; Kato, Masako","Chromic triboluminescence of self-assembled platinum(II) complexes.","Chemical communications (Cambridge, England)","2023","59","44","6745","6748","10.1039/d3cc01525d","","x-ray","1.54184","CuKα","","0.0569","0.051","","","0.1389","0.1449","","","","","","1.021","","","","has coordinates,has disorder","284167","2023-06-05","03:28:18",""
"7132231","6.8804","0.0011","13.614","0.002","15.219","0.002","90","","90","","90","","1425.6","0.4","320","","320","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H13 Br4 F Fe N -","- C5 H13 Br4 F Fe N -","- C20 H52 Br16 F4 Fe4 N4 -","4","0.5","","Zhang, Haina; Wang, Lingyu; Guo, Wenjing; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid material [Me3NCH2CH2F]FeBr4 exhibits three-step SHG on/off","Chemical Communications","2023","","","","","10.1039/D3CC04700H","","","0.71073","MoKα","","0.1711","0.0741","","","0.2209","0.2916","","","","","","0.958","","","","has coordinates,has disorder","287021","2023-10-18","22:00:18",""
"7132355","10.5463","0.0004","22.1504","0.001","17.064","0.002","90","","90","","90","","3986.2","0.5","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C44 H55 Al N2 S -","- C44 H55 Al N2 S -","- C176 H220 Al4 N8 S4 -","4","0.5","","McMullen, Jacob; White, Andrew J. P.; Crimmin, Mark Richard","Ring-Expansion and Desulfurisation of Thiophenes with an Aluminium(I) Reagent","Chemical Communications","2023","","","","","10.1039/D3CC04594C","","","1.54184","CuKα","","0.1342","0.0963","","","0.2744","0.3128","","","","","","1.071","","","","has coordinates,has disorder","287653","2023-11-16","22:56:22",""
"7133009","16.1779","0.0003","7.77835","0.00017","27.1947","0.0007","90","","90","","90","","3422.11","0.13","169.99","0.1","169.99","0.1","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C45 H36 O9 -","- C45 H36 O9 -","- C180 H144 O36 -","4","0.5","","Han, Ying; Guo, Wei-Chen; Du, Xu-Sheng; Chen, Chuan-Feng","Synthesis and property of an O-doped aromatic belt","Chemical Communications","2024","","","","","10.1039/D4CC01667J","","x-ray","1.54184","CuKα","","0.0526","0.0471","","","0.1158","0.1194","","","","","","1.072","","","","has coordinates","291739","2024-05-06","22:04:18",""
"7150482","9.1922","0.0011","7.1341","0.0011","31.75","0.004","90","","90","","90","","2082.1","0.5","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 1,3-benzenedicarboxylic acid","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","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","","0.0701","0.0666","","","0.1534","0.1577","","","","","","1.17","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7152576","8.806","0.004","11.377","0.005","26.118","0.008","90","","90","","90","","2616.7","1.8","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1- phenylethanone)","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1-phenylethanone)","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","0.5","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","0.71069","MoKα","","0.0885","0.0635","","","0.1708","0.1925","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7157193","9.9294","0.0003","22.8248","0.0008","8.0346","0.0003","90","","90","","90","","1820.93","0.11","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","0.5","","Song, Bo; Wang, Mengdan; Xu, Murong; Kong, Lingkai; Xie, Huihui; Wang, Cheng-Yu; LI, Yanzhong","Controllable Synthesis of Pyrido[2,3-b]indol-4-ones or Indolo[3,2-b]quinolines via Formal Intramolecular C(sp2)-H Functionalization","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02108F","","","0.71073","MoKα","","0.0574","0.051","","","0.1542","0.1661","","","","","","1.05","","","","has coordinates","225683","2020-10-21","18:00:00",""
"7201891","6.0417","0.001","23.07","0.004","24.165","0.004","90","","90","","90","","3368.2","1","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C17 H9 Cd0.5 N2 O3.5 S0.5 -","- C16.98 H9 Cd0.5 N2.02 O3.5 S0.5 -","- C135.84 H72 Cd4 N16.16 O28 S4 -","8","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.057","0.051","","","0.1315","0.136","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202298","7.6968","0.0002","14.1288","0.0003","8.027","0.0001","90","","90","","90","","872.91","0.03","120","2","120","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Potassium bis(ethanol)dithiocarbamate","","- C5 H10 K N O2 S2 -","- C5 H10 K N O2 S2 -","- C20 H40 K4 N4 O8 S8 -","4","0.5","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.029","0.027","","","0.067","0.068","","","","","","1.31","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7203792","6.5021","0.0001","6.9509","0.0002","18.3199","0.0001","90","","90","","90","","827.98","0.03","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C4 H2.5 Cd0.5 O2.5 -","- C4 H2 Cd0.5 O2.5 -","- C32 H16 Cd4 O20 -","8","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0253","0.0221","","","0.061","0.0626","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204017","4.9697","0.0006","16.1192","0.0011","10.6277","0.0017","90","","90","","90","","851.36","0.18","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Yttrium silicon nitride oxide","","- N9 O Si5 Y3 -","- N9 O Si5 Y3 -","- N36 O4 Si20 Y12 -","4","0.5","","Liddell, Katharine; Thompson, Derek P.","The crystal structure of Y3Si5N9O and revision of the compositions of some high nitrogen-containing M‒Si‒O‒N (M = Y, La) phases","Journal of Materials Chemistry","2001","11","2","507","","10.1039/b006053o","","","0.6929","MoKα","","0.0331","0.0307","","","0.074","0.0748","","","","","","1.206","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7205358","10.1389","0.0007","22.0518","0.0012","14.1837","0.0009","90","","90","","90","","3171.2","0.3","180","2","180","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C24 H20 N4 O6 S Zn -","- C24 H20 N4 O6 S Zn -","- C96 H80 N16 O24 S4 Zn4 -","4","0.5","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0755","0.0523","","","0.1463","0.1522","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7207717","4.12","0.03","11.09","0.11","52.8","0.6","90","","90","","90","","2412","4","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","_C6-DBTDT","_C6-DBTDT","","- C28 H32 S3 -","- C28 H32 S3 -","- C112 H128 S12 -","4","0.5","","Miyata, Yasuo; Yoshikawa, Eiji; Minari, Takeo; Tsukagoshi, Kazuhito; Yamaguchi, Shigehiro","High-performance organic field-effect transistors based on dihexyl-substituted dibenzo[d,d′]thieno[3,2-b;4,5-b′]dithiophene","Journal of Materials Chemistry","2012","22","16","7715","","10.1039/c2jm30840a","","","0.7107","MoKα","","0.1328","0.1186","","","0.3177","0.3325","","","","","","1.519","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207905","12.1","0.003","26.162","0.004","26.162","0.003","90","","90","","90","","8282","3","291","2","291","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H28 Cu4 O24 -","- C37 H28 Cu4 O24 -","- C148 H112 Cu16 O96 -","4","0.5","","Xue, Yun-Shan; He, Yabing; Ren, Shi-Bin; Yue, Yanfeng; Zhou, Le; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng; Chen, Banglin","A robust microporous metal‒organic framework constructed from a flexible organic linker for acetylene storage at ambient temperature","Journal of Materials Chemistry","2012","22","20","10195","","10.1039/c2jm15538a","","","0.71073","MoKα","","0.0627","0.0468","","","0.1129","0.12","","","","","","1.069","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208994","7.9182","0.001","13.0263","0.0016","13.5001","0.0016","90","","90","","90","","1392.5","0.3","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","1,3-bis-cyanoxime(benzene), DMF solvate","1,3-bis-cyanoxime(benzene), DMF solvate","","- C13 H13 N5 O3 -","- C13 H13 N5 O3 -","- C52 H52 N20 O12 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0835","0.0665","","","0.1848","0.1991","","","","","","1.108","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7210713","10.6675","0.0005","21.4119","0.0009","24.6267","0.0014","90","","90","","90","","5625","0.5","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C164 H216 Ag12 Cl28 N8 O52 S32 -","4","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0808","0.045","","","0.0987","0.1162","","","","","","1.031","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210915","4.5847","0.0003","19.1307","0.0016","8.9047","0.0006","90","","90","","90","","781.02","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C5 H13 N3 O2 -","- C5 H13 N3 O2 -","- C20 H52 N12 O8 -","4","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","1.54184","CuKα","","0.0321","0.03","","","0.0873","0.0892","","","","","","1.101","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211416","8.3","0.0007","28.445","0.0003","18.869","0.0006","90","","90","","90","","4454.8","0.4","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 Na O5 Tb -","- C55 H38 N10 Na O5 Tb -","- C220 H152 N40 Na4 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.0372","0.0273","","","0.0615","0.0651","","","","","","1.092","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211417","8.4313","0.0003","28.1513","0.001","18.9773","0.0006","90","","90","","90","","4504.3","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 K N10 O5 Tb -","- C55 H38 K N10 O5 Tb -","- C220 H152 K4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.073","0.0451","","","0.0736","0.0798","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211418","8.4628","0.0005","28.0868","0.0009","19.0589","0.0007","90","","90","","90","","4530.2","0.3","150","1","150","1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 O5 Rb Tb -","- C55 H38 N10 O5 Rb Tb -","- C220 H152 N40 O20 Rb4 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.1025","0.0543","","","0.0788","0.0906","","","","","","0.944","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211419","8.0865","0.0002","28.952","0.0012","19.304","0.0005","90","","90","","90","","4519.5","0.2","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H34 Cs N10 O5 Tb -","- C55 H34 Cs N10 O5 Tb -","- C220 H136 Cs4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0588","0.0417","","","0.1086","0.1154","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7212795","7.5483","0.0002","36.1989","0.0011","22.798","0.0005","90","","90","","90","","6229.3","0.3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C50 H42 Hg3 I6 N6 O11 -","- C50 H42 Hg3 I6 N6 O11 -","- C200 H168 Hg12 I24 N24 O44 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0748","0.0599","","","0.1353","0.1555","","","","","","1.102","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7213818","6.4685","0.0013","15.007","0.003","25.732","0.005","90","","90","","90","","2497.9","0.9","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 Br2 N6 O4 S4 U -","- C14 H10 Br2 N6 O4 S4 U -","- C56 H40 Br8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0313","0.0243","","","0.0526","0.0549","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213820","6.7452","0.0004","15.1032","0.0008","25.9377","0.0014","90","","90","","90","","2642.4","0.3","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.072","0.0358","","","0.0648","0.0752","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7215150","7.3348","0.0005","18.9816","0.0016","33.871","0.003","90","","90","","90","","4715.7","0.7","125","6","125","6","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H42 N4 O13 Zn2 -","- C54 H42 N4 O13 Zn2 -","- C216 H168 N16 O52 Zn8 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.0904","0.0644","","","0.1173","0.1297","","","","","","1.08","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215284","8.8371","0.0003","8.4068","0.0002","7.4343","0.0002","90","","90","","90","","552.31","0.03","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgTAA","","","- C2 H5 Ag Cl N S -","- C2 H5 Ag Cl N S -","- C8 H20 Ag4 Cl4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0391","0.0296","","","0.072","0.0785","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215285","8.9917","0.0002","8.4982","0.0002","7.7639","0.0002","90","","90","","90","","593.26","0.02","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgBrTAA_py","","","- C2 H5 Ag Br N S -","- C2 H5 Ag Br N S -","- C8 H20 Ag4 Br4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0345","0.0285","","","0.0738","0.0767","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7216008","7.2985","0.0004","16.4843","0.001","34.438","0.002","90","0.001","90","0.002","90","0.002","4143.3","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H41 N5 Ni O8 -","- C45 H41 N5 Ni O8 -","- C180 H164 N20 Ni4 O32 -","4","0.5","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0791","0.0548","","","0.1198","0.1372","","","","","","1.045","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216436","12.294","0.0006","21.514","0.0011","19.633","0.001","90","","90","","90","","5192.8","0.5","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H34 Ag4 N12 O55 P V W11 -","- C8 H4 Ag4 N12 O41 P V0.96 W11.04 -","- C32 H16 Ag16 N48 O164 P4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0484","0.0398","","","0.1041","0.1082","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216437","12.308","0.0014","21.532","0.003","19.998","0.002","90","","90","","90","","5299.8","1.1","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H61 Ag4 N12 O68 Si V W11 -","- C8 H4 Ag4.49 N12 O43 Si V0.96 W11.04 -","- C32 H16 Ag17.96 N48 O172 Si4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.089","0.0754","","","0.1888","0.1976","","","","","","1.062","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7217800","8.8089","0.0018","22.436","0.005","31.193","0.006","90","","90","","90","","6165","2","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C22 H72 F6 Ge14 N14 Ni2 O31 -","- C18 H56 F6 Ge14 N12 Ni2 O29 -","- C72 H224 F24 Ge56 N48 Ni8 O116 -","4","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0355","0.0296","","","0.0774","0.0796","","","","","","1.064","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218595","9.4145","0.0008","14.6978","0.0012","15.2089","0.0013","90","","90","","90","","2104.5","0.3","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C2 H16 Dy4 O26 S3 -","- C2 H4 Dy4 O26 S3 -","- C8 H16 Dy16 O104 S12 -","4","0.5","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Ferromagnetically coupled chiral dysprosium hydroxysulfate and centrosymmetric dysprosium hydroxysulfate-oxalate: Dy4(OH)4cubane based high-connected networks via in situ conversion of organosulfur to sulfate","RSC Adv.","2014","4","96","53954","","10.1039/C4RA07436J","","","0.71073","MoKα","","0.0424","0.0384","","","0.1131","0.1178","","","","","","1.078","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7220421","5.8174","0.0012","23.023","0.005","20.386","0.004","90","","90","","90","","2730.4","1","223","2","223","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C23 H22 N2 O6 Zn -","- C23 H22 N2 O6 Zn -","- C92 H88 N8 O24 Zn4 -","4","0.5","","Liu, Dong; Ge, Yu; Li, Ni-Ya; Ma, Wei; Tang, Xiaoyan","Coordination assemblies of Zn(NO3)2 with 4-pyr-poly-2-ene and polycarboxylates: structural diversification and photoluminescence properties","RSC Adv.","2015","","","","","10.1039/C5RA07371E","","","0.71073","MoKα","","0.0923","0.0722","","","0.1749","0.1865","","","","","","1.166","","","","has coordinates","136005","2020-10-21","18:00:00",""
"7222740","7.1513","","7.4804","","5.392","","90","","90","","90","","288.443","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (As O2)","","- As K O2 -","- As K O2 -","- As4 K4 O8 -","4","0.5","","Emmerling, F.; Roehr, C.","Die neuen Oxoarsenate(III) A As O2 (A= Na, K, Rb) und Cs3 As5 O9. Darstellung, Kristallstrukturen und Raman- Spektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","620","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222741","7.297","","7.752","","5.411","","90","","90","","90","","306.08","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (As O2)","","- As O2 Rb -","- As O2 Rb -","- As4 O8 Rb4 -","4","0.5","","Emmerling, F.; Roehr, C.","Die neuen Oxoarsenate(III) A As O2 (A = Na, K, Rb) und Cs3 As5 O9. Darstellung, Kristallstrukturen und Raman- Spektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","620","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222955","4.1231","","12.3641","","7.2071","","90","","90","","90","","367.407","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","(U O2) (V O3)","","- O5 U V -","- O5 U V -","- O20 U4 V4 -","4","0.5","","Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Hull, S.; Powell, A.V.; Patat, S.","Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5","Journal of Materials Chemistry","1992","2","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223138","8.6326","0.0003","7.6916","0.0003","16.5072","0.0005","90","","90","","90","","1096.05","0.07","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C3 H12 N2 O6 S2 Zn -","- C3 H12 N2 O6 S2 Zn -","- C12 H48 N8 O24 S8 Zn4 -","4","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0517","0.032","","","0.0674","0.0737","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223361","8.497","0.002","25.544","0.007","18.675","0.005","90","","90","","90","","4053.4","1.8","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H37 Cl2 Cu2 N9 O10 -","- C36 H37 Cl2 Cu2 N9 O10 -","- C144 H148 Cl8 Cu8 N36 O40 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0874","0.0632","","","0.1933","0.2132","","","","","","1.098","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223646","8.481","0.0004","17.5518","0.0005","18.3575","0.0005","90","","90","","90","","2732.64","0.17","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H8 Cl3 N9 Zn2 -","- C20 H8 Cl3 N9 Zn2 -","- C80 H32 Cl12 N36 Zn8 -","4","0.5","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0945","0.0565","","","0.1365","0.1523","","","","","","1.045","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223675","10.06","","13.865","","18.964","","90","","90","","90","","2645.14","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Cs4 Se16 -","- Cs4 Se16 -","- Cs16 Se64 -","4","0.5","","Sheldrick, W.S.; Braunbeck, H.G.","Darstellung und Kristallstruktur von Cs4Se16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","1397","1401","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7223832","4.62","","11.43","","7.15","","90","","90","","90","","377.567","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Hg (Cl O3) (O H)","","- Cl H Hg O4 -","- Cl Hg O4 -","- Cl4 Hg4 O16 -","4","0.5","","Weiss, A.; Lyng, S.","Zur Chemie des Quecksilbers XII. Zur Kenntnis von basischem Quecksilberchlorat und basischem Quecksilberbromat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1960","15","","678","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223833","4.61","","11.59","","7.24","","90","","90","","90","","386.832","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Hg Br O3 O H","","- Br H Hg O4 -","- Br Hg O4 -","- Br4 Hg4 O16 -","4","0.5","","Weiss, A.; Lyng, S.","Zur Chemie des Quecksilbers XII. Zur Kenntnis von basischem Quecksilberchlorat und basischem Quecksilberbromat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1960","15","","678","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7225876","12.9314","0.0005","15.0022","0.0004","44.741","0.0012","90","","90","","90","","8679.7","0.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","2-(tert-Butyl)-4,5,9,10-tetrakis(4-(diphenylamino)phenyl)quinolizino[3,4,5,6-ija]quinolin-11-ium tetrafluoroborate","","- C91 H70 B F4 N5 -","- C91 H70 B F4 N5 -","- C364 H280 B4 F16 N20 -","4","0.5","","Feng, Boya; Wan, Danyang; Yan, Lipeng; Kadam, Vilas D.; You, Jingsong; Gao, Ge","A Facile Access to Substituted Cationic 12-Azapyrene Salts by Rhodium(III)-Catalyzed C‒H Annulation of N-Arylpyridinium Salts","RSC Adv.","2016","","","","","10.1039/C6RA15464F","","x-ray","1.54184","CuKα","","0.0926","0.0733","","","0.2271","0.2447","","","","","","1.058","","","","has coordinates,has disorder","184346","2020-10-21","18:00:00",""
"7226315","7.3665","0.0004","17.5179","0.0005","32.0143","0.0014","90","","90","","90","","4131.3","0.3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C52 H51 N3 O2 -","- C52 H43 N3 O2 -","- C208 H172 N12 O8 -","4","0.5","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.0975","0.0727","","","0.2078","0.2194","","","","","","1.096","","","","has coordinates,has disorder","185922","2020-10-21","18:00:00",""
"7231207","16.59874","0.00019","7.14697","0.00012","50.2201","0.0008","90","","90","","90","","5957.65","0.15","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H38 Mg2 N2 O10 -","- C54 H38 Mg2 N2 O10 -","- C216 H152 Mg8 N8 O40 -","4","0.5","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0819","0.0772","","","0.2424","0.2474","","","","","","1.064","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7233105","4.688","0.0001","18.6082","0.0004","6.7363","0.0002","90","","90","","90","","587.64","0.02","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","glycinamide hydroiodide","2-aminoacetamide hydroiodide","","- C2 H7 I N2 O -","- C2 H7 I N2 O -","- C8 H28 I4 N8 O4 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0246","0.0188","","","0.0409","0.043","","","","","","1.109","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7234275","7.293","0.0015","7.0892","0.0014","14.699","0.003","90","","90","","90","","760","0.3","153.15","","153.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Li2 Na2 O9 P2 Ti -","- Li2 Na2 O9 P2 Ti -","- Li8 Na8 O36 P8 Ti4 -","4","0.5","","Duan, Meihong; Li, Rukang","Li2Na2TiP2O9: an ordered Na4TiP2O9-type crystal with ion-exchange properties","CrystEngComm","2019","21","43","6514","","10.1039/C9CE01314H","","","0.71073","MoKα","","0.1016","0.0835","","","0.164","0.1739","","","","","","1.208","","","","has coordinates","223538","2020-10-21","18:00:00",""
"7240723","4.5076","0.0001","7.7027","0.0001","15.9229","0.0003","90","","90","","90","","552.854","0.018","15","2","15","2","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0212","0.0212","","0.0213","0.0213","","","","2.9351","2.9351","2.9351","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7241144","14.588","0.0005","10.6964","0.0003","21.111","0.0009","90","","90","","90","","3294.1","0.2","296.31","0.1","296.31","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C18 H29 N3 O15.5 P5 Zn4 -","- C18 H26 N3 O15.5 P5 Zn4 -","- C72 H104 N12 O62 P20 Zn16 -","4","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0962","0.0894","","","0.2687","0.2789","","","","","","1.057","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241764","8.759","0.0004","9.44","0.0004","23.545","0.0008","90","","90","","90","","1946.82","0.14","296","2","296.15","","","","","","","","","6","P b c m","-P 2c 2b","57","","ethylenediammonium lead iodide chloride","","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","1","0.125","","Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe","Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure","CrystEngComm","2020","22","46","8063","8071","10.1039/D0CE00184H","","","0.71075","MoKα","","0.1083","0.0676","","","0.1527","0.1745","","","","","","1.063","","","","has coordinates","259740","2020-12-10","03:43:41",""
"7242141","9.2305","0.0009","7.0126","0.0007","27.175","0.002","90","","90","","90","","1759","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","potassium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide . 2.5H2O","","- C6 H18 K2 N10 O11 -","- C6 H18 K2 N10 O11 -","- C24 H72 K8 N40 O44 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0525","0.0423","","","0.1287","0.136","","","","","","1.057","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7243514","6.869","0.003","9.873","0.004","15.041","0.006","90","","90","","90","","1020","0.7","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cs H2 Mn O10 V3 -","- Cs H2 Mn O10 V3 -","- Cs4 H8 Mn4 O40 V12 -","4","0.5","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0219","0.0191","","","0.0501","0.0517","","","","","","1.005","","","","has coordinates","270431","2021-11-06","19:52:04",""
"7243932","13.985","0.0012","25.773","0.002","25.773","0.002","90","","90","","90","","9289.5","1.3","298.15","","298.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C131 H106 Cd9 N6 O54 -","- C131 H106 Cd9 N6 O54 -","- C262 H212 Cd18 N12 O108 -","2","0.25","","Wang, Xiao-Qing; Ma, Xuehui; Feng, Doudou; Wu, Dan; Yang, Jie","A stable Ln(iii)-functionalized Cd(ii)-based metal–organic framework: tunable white-light emission and fluorescent probe for monitoring bilirubin","RSC Advances","2021","11","58","36913","36919","10.1039/D1RA06592K","","","0.71073","MoKα","","0.1463","0.1003","","","0.2973","0.3231","","","","","","1.082","","","","has coordinates","270744","2021-11-18","02:11:36",""
"7245813","6.0659","0.001","7.4882","0.0012","29.682","0.005","90","","90","","90","","1348.2","0.4","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- La6 Ni7 Si4 -","- La6 Ni7 Si4 -","- La24 Ni28 Si16 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0468","0.0287","","","0.049","0.0532","","","","","","0.923","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7246257","20.3907","0.0004","7.6801","0.0001","42.938","0.001","90","","90","","90","","6724.2","0.2","170","2","169.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I N3 -","- C216 H144 Br32 F80 I8 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0501","0.0442","","","0.1022","0.1051","","","","","","1.145","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7247493","10.9437","0.0002","21.7335","0.0003","25.2207","0.0004","90","","90","","90","","5998.61","0.17","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C160 H200 Ag12 Cl16 F72 N8 P12 S32 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0732","0.0608","","","0.1562","0.1647","","","","","","1.045","","","","has coordinates,has disorder","288780","2024-01-06","07:55:17",""
"7247567","7.0472","0.0003","7.1152","0.0003","37.1137","0.0013","90","","90","","90","","1860.96","0.13","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- As2 Cl3 La5 S9 -","- As2 Cl3 La5 S9 -","- As8 Cl12 La20 S36 -","4","0.5","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0414","0.0398","","","0.1123","0.1138","","","","","","1.046","","","","has coordinates","288811","2024-01-06","08:06:53",""
"7700431","7.6514","0.001","11.1821","0.0014","11.2443","0.0014","90","","90","","90","","962","0.2","293","","293","","","","","","","","","4","P b c m","-P 2c 2b","57","","Rubidium scandium borohydride","","- B4 H16 Rb Sc -","- B4 H16 Rb Sc -","- B16 H64 Rb4 Sc4 -","4","0.5","","Starobrat, Agnieszka; Jaroń, Tomasz; Grochala, Wojciech","Two new derivatives of scandium borohydride, MSc(BH<sub>4</sub>)<sub>4</sub>, M = Rb, Cs, prepared via a one-pot solvent-mediated method.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11829","11837","10.1039/c9dt01967g","powder diffraction","x-ray","1.54187","CuKα","","0.0618","0.0229","","0.0356","0.0212","","","","0.05","","","","","","","has coordinates","224372","2020-10-21","18:00:00",""
"7700960","9.2035","0.0004","8.8019","0.0005","14.94","0.0008","90","","90","","90","","1210.26","0.11","200","2","200","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Ca4 Li Sn6 -","- Ca4 Li Sn6 -","- Ca16 Li4 Sn24 -","4","0.5","","Ovchinnikov, Alexander; Bobev, Svilen","Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural characterization of four new Ca-Li-Sn compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14398","14407","10.1039/c9dt02803j","","","0.71073","MoKα","","0.0196","0.0169","","","0.0349","0.0357","","","","","","1.12","","","","has coordinates","224564","2020-10-21","18:00:00",""
"7703944","8.25941","0.00009","16.80045","0.0002","11.25367","0.00014","90","","90","","90","","1561.58","0.03","159.99","0.1","159.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C15 H14 F6 N2 P Re -","- C15 H14 F6 N2 P Re -","- C60 H56 F24 N8 P4 Re4 -","4","0.5","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0249","0.0196","","","0.0385","0.0396","","","","","","1.091","","","","has coordinates,has disorder","251627","2020-10-21","18:00:00",""
"7704681","9.5856","0.0007","15.5741","0.0011","13.7797","0.001","90","","90","","90","","2057.1","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","0.5","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.055","0.0295","","","0.066","0.0749","","","","","","1.05","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704682","9.5273","0.0009","14.8094","0.0015","13.5467","0.0013","90","","90","","90","","1911.4","0.3","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","0.5","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.041","0.0231","","","0.0507","0.0567","","","","","","1.065","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7705406","10.3228","0.00009","18.3779","0.00015","23.0249","0.0002","90","","90","","90","","4368.09","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C45 H41 Cl4 N2 O5 P2 Rh -","- C45 H41 Cl4 N2 O5 P2 Rh -","- C180 H164 Cl16 N8 O20 P8 Rh4 -","4","0.5","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","1.54184","CuKα","","0.0398","0.0372","","","0.0835","0.0849","","","","","","1.077","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7706248","13.9807","0.0012","10.7427","0.0009","25.517","0.002","90","","90","","90","","3832.4","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- K3 Mo7 O42 U6 -","- K2.98 Mo7 O42 U6 -","- K11.92 Mo28 O168 U24 -","4","0.5","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0973","0.0511","","","0.0776","0.0915","","","","","","1.028","","","","has coordinates","260508","2021-01-05","07:18:54",""
"7706347","7.1286","0.0005","7.1593","0.0006","37.237","0.003","90","","90","","90","","1900.4","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cl3 Cs0 La5 S9 Sb2 -","- Cl3 La5 S9 Sb2 -","- Cl12 La20 S36 Sb8 -","4","0.5","","Zhao, Hua-Jun; Liu, Peng-Fei; Wu, Li-Ming","Structural diversities in centrosymmetric La<sub>8</sub>S<sub>4</sub>Cl<sub>8</sub>La<sub>12</sub>S<sub>8</sub>Cl<sub>4</sub>[SbS<sub>3</sub>]<sub>8</sub> and non-centrosymmetric Ln<sub>12</sub>S<sub>8</sub>Cl<sub>8</sub>[SbS<sub>3</sub>]<sub>4</sub> (Ln = La and Ce): syntheses, crystal and electronic structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2075","2082","10.1039/d0dt03953e","","","0.71073","MoKα","","0.037","0.0321","","","0.1195","0.1254","","","","","","0.978","","","","has coordinates","262638","2021-03-05","02:03:36",""
"7707922","6.7921","0.0007","8.5866","0.0008","12.858","0.0015","90","","90","","90","","749.89","0.14","295","2","295","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C3 H3 Br N3 O3 Rb -","- C3 H3 Br N3 O3 Rb -","- C12 H12 Br4 N12 O12 Rb4 -","4","0.5","","Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng","Co-crystal AX·(H<sub>3</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11555","11561","10.1039/d1dt02217b","","","0.71073","MoKα","","0.0554","0.032","","","0.0508","0.059","","","","","","1.108","","","","has coordinates","268747","2021-09-06","11:07:24",""
"7707924","6.863","0.0007","9.0765","0.0008","12.8352","0.001","90","","90","","90","","799.53","0.12","297","2","297","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C3 H3 Br Cs N3 O3 -","- C3 H3 Br Cs N3 O3 -","- C12 H12 Br4 Cs4 N12 O12 -","4","0.5","","Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng","Co-crystal AX·(H<sub>3</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11555","11561","10.1039/d1dt02217b","","","0.71073","MoKα","","0.0864","0.0467","","","0.0974","0.1149","","","","","","1.123","","","","has coordinates","268747","2021-09-06","11:07:25",""
"7708313","6.1685","0.0004","8.884","0.0006","9.1876","0.0007","90","","90","","90","","503.49","0.06","100.15","","100.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C H4 B Gd O7 -","- C H4 B Gd O7 -","- C4 H16 B4 Gd4 O28 -","4","0.5","","Liu, Bo-Liang; Xu, Qiao-Fei; Long, La-Sheng; Zheng, Lan-Sun","A Gd-based borate-carbonate framework exhibiting a large magnetocaloric effect at a low magnetic field.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12831","12834","10.1039/d1dt02624k","","","1.54184","CuKα","","0.0516","0.0467","","","0.1371","0.1426","","","","","","1.154","","","","has coordinates","269697","2021-10-06","15:28:55",""
"7708643","13.37714","0.00016","15.7203","0.0002","23.1966","0.0004","90","","90","","90","","4878.07","0.12","123","","123","","","","","","","","","4","P b c m","-P 2c 2b","57","","1,1-bis(η5-cyclopentadienyl)-cis-2,5-bis(trimethylsilyl)-1-zirconacyclopent-3-ene","","- C46 H78 Si4 Zr2 -","- C23 H29.5 Si2 Zr -","- C184 H236 Si16 Zr8 -","8","1","","Suzuki, Noriyuki; Ban, Sayaka; Mochizuki, Ayari; Ito, Saki","Reactions of Five-Membered Zirconacycloalkynes And Zirconacycloallenes with Cp2Zr(H)Cl; Formal Hydrogenation by Metal Hydrides","Dalton Transactions","2021","","","","","10.1039/D1DT03313A","","","1.54187","CuKα","","0.0766","0.0707","","","0.1629","0.1669","","","","","","1.046","","","","has coordinates","270128","2021-10-28","23:53:18",""
"7709919","10.4801","0.0003","17.4762","0.0005","7.0392","0.0003","90","","90","","90","","1289.25","0.08","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C7 H7 Cd2 O11 P2 -","- C7 H11 Cd2 O11 P2 -","- C28 H44 Cd8 O44 P8 -","4","0.5","","wu, guomei; Zhang, Ming-Yue; Wang, Feng-Dong; Zhang, Chenxi; Wang, Qing-Lun","A dual-function Cd-MOF with high proton conduction and excellent fluorescence detection of pyridine","Dalton Transactions","2022","","","","","10.1039/D2DT00193D","","","0.71073","MoKα","","0.0525","0.0518","","","0.1705","0.1709","","","","","","1.105","","","","has coordinates,has disorder","274217","2022-04-01","22:55:39",""
"7710136","10.1747","0.0009","15.8777","0.0017","7.947","0.0005","90","","90","","90","","1283.8","0.2","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C12 Br7 N4 Pb2 -","- C12 Br7 N4 Pb2 -","- C24 Br14 N8 Pb4 -","2","0.25","","Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu","A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching","Dalton Transactions","2022","","","","","10.1039/D2DT01040B","","","0.71073","MoKα","","0.1625","0.1243","","","0.3871","0.428","","","","","","1.598","","","","has coordinates,has disorder","274812","2022-05-02","23:12:54",""
"7711122","11.0933","0.0016","13.6506","0.0017","7.7629","0.0011","90","","90","","90","","1175.5","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","1","","- C8 H7 Cl3 N3 Sm -","- C8 H7 Cl3 N2.773 Sm -","- C32 H28 Cl12 N11.092 Sm4 -","4","0.5","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.044","0.0284","","","0.0444","0.048","","","","","","1.053","","","","has coordinates,has disorder","277607","2022-09-02","23:03:27",""
"7711435","21.4098","0.0003","29.7523","0.0004","24.2371","0.0004","90","","90","","90","","15438.8","0.4","150","0.1","150","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C60 H160 Cl15 Ho15 N10 O80 -","- C60 H160 Cl15 Ho15 N10 O80 -","- C240 H640 Cl60 Ho60 N40 O320 -","4","0.5","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","1.54184","CuKα","","0.112","0.0955","","","0.2622","0.2857","","","","","","1.016","","","","has coordinates,has disorder","278371","2022-10-05","22:39:05",""
"7711436","21.5433","0.0003","29.8188","0.0003","24.4709","0.0004","90","","90","","90","","15720","0.4","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C60 H140 Cl14 Dy15 N10 O80 -","- C60 H140 Cl14 Dy15 N10 O80 -","- C240 H560 Cl56 Dy60 N40 O320 -","4","0.5","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","1.54184","CuKα","","0.1218","0.1042","","","0.2998","0.3186","","","","","","1.291","","","","has coordinates","278371","2022-10-05","22:39:05",""
"7712022","8.2828","0.0003","9.166","0.0003","12.4341","0.0005","90","","90","","90","","944","0.06","273.15","","273.15","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Cd3 K O11 P3 -","- Cd3 K O11 P3 -","- Cd12 K4 O44 P12 -","4","0.5","","Cai, Bingjie; Dou, Danyang; Zhang, Bingbing; Li, Ling; Wang, Ying","Cadmium phosphates with two types of fundamental building units and a wide ultraviolet transparency window.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","862","865","10.1039/d2dt03974e","","","0.71073","MoKα","","0.0192","0.0166","","","0.039","0.0404","","","","","","1.127","","","","has coordinates","283267","2023-05-05","01:53:29",""
"7712813","9.982","0.0001","21.917","0.0002","40.0903","0.0003","90","","90","","90","","8770.78","0.14","100","0.13","100","0.13","","","","","","","","6","P b c m","-P 2c 2b","57","","bis(Phenyl tris(3-methylimidazol-1-yl-2-ylidene)borate)-ytterbium(iii) iodide","","- C36 H40 B2 I N12 Yb -","- C36 H40 B2 I N12 Yb -","- C288 H320 B16 I8 N96 Yb8 -","8","1","","Price, Amy N.; Gupta, Ankur K.; de Jong, Wibe A.; Arnold, Polly L.","Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00718a","","x-ray","1.54184","CuKα","","0.0425","0.0408","","","0.0951","0.0962","","","","","","1.044","","","","has coordinates","282708","2023-04-18","23:40:33",""
"8100159","8.246","0.003","13.104","0.005","16.142","0.007","90","","90","","90","","1744.2","1.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C40 H64 Cl24 N4 Nb4 -","4","0.5","","Tinant, Bernard; Bayot, Daisy; Devillers, Michel","Crystal structure of trimethylbenzylammonium hexachloroniobate(V), [(CH~3~)~3~C~7~H~7~N][NbCl~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","381","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100649","6.0387","0.0004","6.9855","0.0005","10.8131","0.0007","90","","90","","90","","456.13","0.05","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- O4 Se Si Tb2 -","- O4 Se Si Tb2 -","- O16 Se4 Si4 Tb8 -","4","0.5","","Ijjaali, Ismail; Mitchell, Kwasi; Ibers, James A.","Crystal structure of diterbium orthosilicate selenide, Tb~2~(SiO~4~)Se","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","157","158","10.1524/ncrs.2002.217.2.157","","","","","","","","","","","","","","","","","","","","","has coordinates","270864","2021-11-24","23:08:07",""
"8101146","6.1696","0.0004","7.0575","0.0005","11.0579","0.0007","90","","90","","90","","481.48","0.06","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Gd2 O4 Si Te -","- Gd2 O4 Si Te -","- Gd8 O16 Si4 Te4 -","4","0.5","","Ijjaali, Ismail; Ibers, James A.","Crystal structure of digadolinium orthosilicate telluride, Gd~2~(SiO~4~)Te","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","487","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101339","5.717","0.0005","25.181","0.002","7.4923","0.0007","90","","90","","90","","1078.61","0.16","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H15 Br K N O4 -","- C5 H15.04 Br K N O4.04 -","- C20 H60.16 Br4 K4 N4 O16.16 -","4","0.5","","Andrade, L. C. R.; Costa, M. M. R.; Pinto, Filipa; Paixão, J. A.; Almeida, A.; Chaves, M. R.; Klöpperpieper, A.","Crystal structure of betaine potassium bromide dihydrate, C~5~H~11~NO~2~ · KBr · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","537","538","","","","","","","","","","","","","","","","","","","","","","has coordinates","132283","2020-10-21","18:00:00",""
"8101496","11.824","0.002","17.739","0.002","7.167","0.001","90","","90","","90","","1503.3","0.4","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C5 H9 Na O4 -","- C3.75 H7.25 Na0.5 O2.5 -","- C30 H58 Na4 O20 -","8","1","","Muthuraman, Meiyappan; Le Fur, Yvette; Nicoud, Jean-François; Masse, René; Desiraju, Gautam","Crystal structure of sodium glutaconaldehyde tetrahydrate, Na2(C5H5O2) 2 · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","283","284","","","","","","","","0.034","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101621","6.72","0.001","13.389","0.003","6.52","0.001","90","","90","","90","","586.63","0.18","293","2","293","2","","","","","","","","2","P b c m","-P 2c 2b","57","hexapotassium pentaplumbide","","","- K8 Pb6.67 -","- K8 Pb6.68 -","- K8 Pb6.68 -","1","0.125","","Fässler, Thomas F.; Kronseder, Christian","Crystal structure of hexapotassium pentaplumbide, K~6~Pb~5~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","437","437","","","","","","","","0.0383","","","0.103","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102113","10.864","0.002","14.281","0.003","27.535","0.006","90","","90","","90","","4272","1.5","200","2","200","2","","","","","","","","4","P b c m","-P 2c 2b","57","","bis(η^5^-cyclopentadienyl)-pyrrolide-titanium(III)","","- C24 H34 N Ti -","- C24 H34 N Ti -","- C192 H272 N8 Ti8 -","8","1","","Spannenberg, Anke; Burlakov, Vladimir V.; Arndt, Perdita; Klahn, Marcus; Rosenthal, Uwe","Crystal structure of bis(η^5^-cyclopentadienyl)-pyrrolide-titanium (III), Ti(C~10~H~15~)~2~(C~4~H~4~N)","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","192","194","","","","0.71073","MoKα","","0.0979","0.0427","","","0.0982","0.1111","","","","","","0.833","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102699","10.2939","0.0012","19.991","0.002","6.4727","0.0008","90","","90","","90","","1332","0.3","200","2","200","2","","","","","","","","5","P b c m","-P 2c 2b","57","","(2,2'-Bipyridine-κ^2^N,N')bis(isothiocyanato-κN)palladium(II)","","- C12 H8 N4 Pd S2 -","- C12 H8 N4 Pd S2 -","- C48 H32 N16 Pd4 S8 -","4","0.5","","Kwang Ha","Crystal structure of bis(isothiocyanato-kN)-(2,2'-bipyridine-k2N,N')palladium(II), Pd(NCS)2(C10H8N2)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","299","","","","","0.71073","MoKα","","0.1077","0.0509","","","0.0949","0.1214","","","","","","1.061","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103790","10.1653","","11.9178","","6.8533","","90","","90","","90","","830.264","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Er (H P O4) (N O3) (H2 O)3","","- Er H7 N O10 P -","- Er N O10 P -","- Er4 N4 O40 P4 -","4","0.5","","Ivashkevich, L.S.; Petrusevich, Yu.I.; Lyakhov, A.S.; Selevich, A.F.","The crystal structure of Er (H P O4) (N O3) * 3(H2 O): ab initio determination from X-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","475","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104171","7.5002","","7.1375","","5.0224","","90","","90","","90","","268.863","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sc Fe2 Si2","","- Fe2 Sc Si2 -","- Fe2 Sc Si2 -","- Fe8 Sc4 Si8 -","4","0.5","","Kotur, B.Ya.; Cerny, R.; Pacheco, J.V.; Yvon, K.","Refinement of th crystal structure of scandium diiron disilicide, Sc Fe2 Si2","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","289","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104242","7.123","","15.762","","5.416","","90","","90","","90","","608.069","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Bi2 Co O3 S O4","","- Bi2 Co O7 S -","- Bi2 Co O7 S -","- Bi8 Co4 O28 S4 -","4","0.5","","Fanariotis, I.A.; Rentzeperis, P.J.","The crystal structure of a new bismuth cobalt oxide sulfate Bi2CoO3SO4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104502","5.528","","13.741","","9.209","","90","","90","","90","","699.518","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Na Co (C O)4","","- C4 Co Na O4 -","- C4 Co Na O4 -","- C16 Co4 Na4 O16 -","4","0.5","","Kluefers, P.","Die Kristallstrukturen von Li Co (C O)4 und Na Co (C O)4","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","1-4","275","286","10.1524/zkri.1984.167.14.275","","","","","","","","","","","","","","","","","","","","","has coordinates","288158","2023-12-07","20:20:26",""
"8107010","6.0371","0.0003","16.6146","0.0007","6.7815","0.0003","90","","90","","90","","680.21","0.05","295","","295","","","","","","","","","3","P b c m","-P 2c 2b","57","","pentacalcium tetranitridovanadate(V) mononitride","","- Ca5 N5 V -","- Ca5 N5 V -","- Ca20 N20 V4 -","4","0.5","","Ovchinnikov, Alexander; Höhn, Peter","Crystal structure of pentacalcium tetranitridovanadate(V) mononitride based on a powder diffraction study, Ca5[VN4]N","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","797","798","10.1515/ncrs-2015-0272","powder diffraction","","1.54056","CuKα~1~","","0.0348","0.0335","","0.0379","0.0378","","","","0.9","","","","","","","has coordinates","282241","2023-04-04","09:22:29",""
"9000294","7.14","","14.68","","14.65","","90","","90","","90","","1535.54","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","Elpidite","- H6 Na2 O18 Si6 Zr -","- H6 Na2 O18 Si6 Zr -","- H24 Na8 O72 Si24 Zr4 -","4","0.5","","Cannillo, E.; Rossi, G.; Ungaretti, L.","The crystal structure of elpidite","American Mineralogist","1973","58","","106","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9002026","2.7992","","9.4097","","9.4832","","90","","90","","90","","249.784","","","","","","","","23960000","","","","","2","P b c m","-P 2c 2b","57","","","Fe3O4","- Fe3 O4 -","- Fe3 O4 -","- Fe12 O16 -","4","0.5","","Fei, Y.; Frost, D. J.; Mao, H. K.; Prewitt, C. T.; Hausermann, D.","In situ structure determination of the high-pressure phase of Fe3O4 Sample data recorded at P = 23.96 GPa, T = = 823 K","American Mineralogist","1999","84","","203","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004598","6.705","","12.731","","11.524","","90","","90","","90","","983.704","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","","Iriginite","- H6 Mo2 O12 U -","- H6 Mo2 O12 U -","- H24 Mo8 O48 U4 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","The crystal chemistry of uranyl molybdates. II. the crystal structure of iriginite","The Canadian Mineralogist","2000","38","","847","851","10.2113/gscanmin.38.4.847","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004623","13.99","","10.808","","25.671","","90","","90","","90","","3881.56","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cs3 H4 Mo7 O42 U6 -","- Cs3 H4 Mo7 O42 U6 -","- Cs12 H16 Mo28 O168 U24 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. IV. The structures of M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4)","The Canadian Mineralogist","2001","39","","207","214","10.2113/gscanmin.39.1.207","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004624","13.97","","10.747","","25.607","","90","","90","","90","","3844.52","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- H4 Mo7 N3 O42 U6 -","- H4 Mo7 N3 O42 U6 -","- H16 Mo28 N12 O168 U24 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. IV. The structures of M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4)","The Canadian Mineralogist","2001","39","","207","214","10.2113/gscanmin.39.1.207","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005261","5.492","","13.324","","20.685","","90","","90","","90","","1513.63","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","Orthowalpurgite","- As2 Bi4 H4 O16 U -","- As2 Bi4 H4 O16 U -","- As8 Bi16 H16 O64 U4 -","4","0.5","","Krause, W.; Effenberger, H.; Brandstatter, F.","Orthowalpurgite, (UO2)Bi4O4(AsO4)2.2H2O, a new mineral from the Black Forest, Germany Locality: Black Forest, Germany","European Journal of Mineralogy","1995","7","","1313","1324","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9005834","5.005","","5.235","","5.051","","90","","90","","90","","132.342","","","","","","","","3900000","","","","","2","P b c m","-P 2c 2b","57","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","0.5","","Kudoh, Y.; Takeda, H.; Arashi, H.","In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 39 kbar, post baddeleyite structure","Physics and Chemistry of Minerals","1986","13","","233","237","10.1007/BF00308274","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005835","4.992","","5.229","","5.046","","90","","90","","90","","131.717","","","","","","","","5100000","","","","","2","P b c m","-P 2c 2b","57","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","0.5","","Kudoh, Y.; Takeda, H.; Arashi, H.","In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 51 kbar, post baddeleyite structure","Physics and Chemistry of Minerals","1986","13","","233","237","10.1007/BF00308274","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006951","2.7392","","9.2","","9.283","","90","","90","","90","","233.938","","","","","","","","37300000","","","","","3","P b c m","-P 2c 2b","57","","","","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe8 Mg4 O16 -","4","0.5","","Andrault, D.; Bolfan-Casanova N","High-pressure phase transformations in the MgFe2O4 and Fe2O3-MgSiO3 systems Sample refined as a CaMn2O4-type phase at P = 37.3 GPa","Physics and Chemistry of Minerals","2001","28","","211","217","10.1007/s002690000149","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007710","5.8931","","5.4904","","4.7528","","90","","90","","90","","153.779","","","","","","","","","","","","synthetic: Merck ""pro analyse"" (batch number 0093820)","2","P b c m","-P 2c 2b","57","","","Massicot","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Hill, R. J.","Refinement of the structure of orthorhombic PbO (massicot) by Rietveld analysis of neutron powder diffraction data","Acta Crystallographica, Section C","1985","41","","1281","1284","10.1107/S0108270185007454","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007806","8.8518","","9.1453","","12.5174","","90","","90","","90","","1013.31","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- K0.75 Mo Nb O12 P3 -","- K0.75 Mo Nb O12 P3 -","- K3 Mo4 Nb4 O48 P12 -","4","0.5","","Leclaire, A.; Borel, M. M.; Grandin, A.; Raveau, B.","Non-stoichiometry in the KMo2P3O12-tunnel structure: the oxide K0.75MoNbP3O12","Acta Crystallographica, Section C","1990","46","","1381","1383","10.1107/S0108270189013727","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007853","4.378","","8.853","","11.233","","90","","90","","90","","435.373","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- F5 Sb Sr -","- F5 Sb Sr -","- F20 Sb4 Sr4 -","4","0.5","","Gravereau, P.; Mirambet, C.; Fournes, L.; Grannec, J.; Lozano, L.","Structure of alkaline-earth pentafluoroantimonates(III), MSbF5 (M = Sr,Ba)","Acta Crystallographica, Section C","1990","46","","2294","2297","10.1107/S0108270190005790","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007854","4.676","","9.313","","11.213","","90","","90","","90","","488.299","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Ba F5 Sb -","- Ba F5 Sb -","- Ba4 F20 Sb4 -","4","0.5","","Gravereau, P.; Mirambet, C.; Fournes, L.; Grannec, J.; Lozano, L.","Structure of alkaline-earth pentafluoroantimonates(III), MSbF5 (M = Sr,Ba)","Acta Crystallographica, Section C","1990","46","","2294","2297","10.1107/S0108270190005790","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007991","5.672","","10.737","","16.742","","90","","90","","90","","1019.59","","150","2","150","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- K Nb5 O13 -","- K Nb5 O13 -","- K4 Nb20 O52 -","4","0.5","MG6037","Kwak, J.; Yun, H.; Chae, H. K.","A new potassium niobate, KNb~5~O~13~","Acta Crystallographica Section E","2005","61","7","i132","i134","10.1107/S1600536805017897","","","0.71073","MoKα","","","0.0189","","","","0.0455","","","","","","1.185","","","","has coordinates","282068","2023-03-26","10:21:06",""
"9011194","5.363","","10.161","","7.862","","90","","90","","90","","428.427","","","","","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Schmitterite","- O5 Te U -","- O5 Te U -","- O20 Te4 U4 -","4","0.5","","Loopstra, B. O.; Brandenburg, N. P.","Uranyl selenite and uranyl tellurite","Acta Crystallographica, Section B","1978","34","","1335","1337","10.1107/S056774087800549X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012255","3.15886","","9.9958","","9.6776","","90","","90","","90","","305.573","","","","300","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Marokite","- Ca Mn2 O4 -","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","4","0.5","","Ling, C. D.; Neumeier, J. J.; Argyriou, D. N.","Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 300 K","Journal of Solid State Chemistry","2001","160","","167","173","10.1006/jssc.2001.9214","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012256","3.14685","","9.9528","","9.67166","","90","","90","","90","","302.916","","","","20","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Marokite","- Ca Mn2 O4 -","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","4","0.5","","Ling, C. D.; Neumeier, J. J.; Argyriou, D. N.","Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 20 K","Journal of Solid State Chemistry","2001","160","","167","173","10.1006/jssc.2001.9214","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012372","3.1492","","9.98","","9.66","","90","","90","","90","","303.604","","","","280","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Marokite","- Ca Mn2 O4 -","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","4","0.5","","Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P.","New model for the magnetic structure of the marokite-type oxide CaMn2O4 Sample: T = 280 K","Journal of Alloys and Compounds","2003","353","","5","11","10.1016/S0925-8388(02)01302-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9014122","5.51","","5.5563","","15.567","","90","","90","","90","","476.587","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- Na1.74 Nb2 Nd0.09 O6 -","- Na6.96 Nb8 Nd0.36 O24 -","- Na6.96 Nb8 Nd0.36 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .58, Nd.09Na1.74Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014348","5.5007","","5.5621","","15.5373","","90","","90","","90","","475.371","","","","","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Lueshite","- Na Nb O3 -","- Na8 Nb8 O24 -","- Na8 Nb8 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .66, Na2Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014726","7.128","","14.644","","14.642","","90","","90","","90","","1528.37","","","","","","","","","","","","Kahn Bogdo, Mongolia","6","P b c m","-P 2c 2b","57","","","Elpidite","- H5.38 Na1.581 O17.69 Rb0.2 Si6 Zr -","- H5.38 Na1.581 O17.69 Rb0.2 Si6 Zr -","- H21.52 Na6.324 O70.76 Rb0.8 Si24 Zr4 -","4","0.5","","Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.","Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 90 deg C","Crystallography Reports","2011","56","","832","841","10.1134/S1063774511050117","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014954","5.51","","5.5563","","15.567","","90","","90","","90","","476.587","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- La0.09 Na1.74 Nb2 O6 -","- La0.36 Na6.96 Nb8 O24 -","- La0.36 Na6.96 Nb8 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .58, La.09Na1.74Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015015","7.1312","","14.6853","","14.6349","","90","","90","","90","","1532.62","","","","","","","","","","","","Kahn Bogdo, Mongolia","5","P b c m","-P 2c 2b","57","","","Elpidite","- H6 Na2 O18 Si6 Zr -","- H6 Na2 O18 Si6 Zr -","- H24 Na8 O72 Si24 Zr4 -","4","0.5","","Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.","Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms","Crystallography Reports","2011","56","","832","841","10.1134/S1063774511050117","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015681","5.5018","","5.5598","","15.551","","90","","90","","90","","475.688","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- Na1.86 Nb2 Nd0.05 O6 -","- Na7.44 Nb8 Nd0.2 O24 -","- Na7.44 Nb8 Nd0.2 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .62, Nd.05Na1.86Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016079","5.44","","11.154","","10.333","","90","","90","","90","","626.983","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","5","P b c m","-P 2c 2b","57","","","Coparsite","- As0.54 Cl Cu4 O6 V0.46 -","- As2.16 Cl4 Cu16 O24 V1.84 -","- As2.16 Cl4 Cu16 O24 V1.84 -","","","","Starova, G. L.; Krivovichev, S. V.; Filatov, S. K.","Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra II. Crystal structure of Cu~4~O~2~[(As,V)O~4~]Cl","Zeitschrift für Kristallographie","1998","213","12","650","653","10.1524/zkri.1998.213.12.650","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016126","5.5189","","5.5458","","15.6313","","90","","90","","90","","478.423","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- La0.17 Na1.5 Nb2 O6 -","- La0.68 Na6 Nb8 O24 -","- La0.68 Na6 Nb8 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .5, La.17Na1.5Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""