# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:13:53+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4 n c' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1525586","15.569","","15.569","","11.841","","90","","90","","90","","2870.19","","","","","","","","","","","","","7","P 4 n c","P 4 -2n","104","","Ca19 Al10.144 Mg Fe1.821 Si18 O69 (O H)9","","- Al10.144 Ca19 Fe1.821 H9 Mg O78 Si18 -","- Al10.144 Ca19 Fe1.821 H9 Mg O78 Si18 -","- Al20.288 Ca38 Fe3.642 H18 Mg2 O156 Si36 -","2","0.25","","Armbruster, T.; Gnos, E.","""Rod"" polytypism in vesuvianite: crystal structure of a low-temperature P4nc vesuvianite with pronounced octahderal cation ordering","Schweizerische Mineralogische und Petrographische Mitteilungen","2000","80","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534196","9.416","","9.416","","9.237","","90","","90","","90","","818.962","","","","","","","","","","","","","3","P 4 n c","P 4 -2n","104","","Tl4 (Hg I6)","","- Hg I6 Tl4 -","- Hg I6 Tl4 -","- Hg2 I12 Tl8 -","2","0.25","","Badikov, D.V.; Badikov, V.V.; Kuz'micheva, G.M.; Panyutin, V.L.; Shevyrdyaeva, G.S.; Rybakov, V.B.; Chizhikov, V.I.; Shcherbakova, E.S.","Growth and X-ray diffraction study of Tl4 Hg I6 crystals","Neorganicheskie Materialy","2004","40","","372","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1546055","13.906","0.001","13.906","0.001","8.6877","0.0003","90","","90","","90","","1680","0.18","200","2","200","2","","","","","","","synthesis as described","5","P 4 n c","P 4 -2n","104","","","","- C36 H36 Cl2 N4 Ru -","- C36 H36 Cl2 N4 Ru -","- C72 H72 Cl4 N8 Ru2 -","2","0.25","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0699","0.0336","","","0.0695","0.0873","","","","","","0.923","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1556606","18.4946","0.0009","18.4946","0.0009","18.193","0.0009","90","","90","","90","","6222.9","0.5","170","2","170","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C40 H48 N32 Ni4 O S8 -","- C40 H48 N32 Ni4 O S8 -","- C80 H96 N64 Ni8 O2 S16 -","2","0.25","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.1778","0.1231","","","0.3282","0.361","","","","","","1.216","","","","has coordinates","245244","2020-10-21","18:00:00",""
"2015304","17.0805","0.0018","17.0805","0.0018","9.2818","0.0015","90","","90","","90","","2707.9","0.6","298","2","298","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","trans-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole","","- C56 H48 Cd Cl2 N16 -","- C56 H48 Cd Cl2 N16 -","- C112 H96 Cd2 Cl4 N32 -","2","0.25","GD3005","Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li; Li, Li; Wang, Shu-Xia","<i>trans</i>-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole: a three-dimensional supramolecular structure built from C—H···π, N—H···Cl and N—H···N hydrogen bonds","Acta Crystallographica Section C","2006","62","5","m180","m182","10.1107/S0108270106008973","","","0.71073","MoKα","","0.0418","0.0364","","","0.0895","0.0924","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2022948","10.79412","0.00006","10.79412","0.00006","11.15065","0.00011","90","","90","","90","","1299.2","0.016","100","0.1","100","0.1","","","","","","","","6","P 4 n c","P 4 -2n","104","","Chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)","","- C25 H16 Cl Fe N9 S -","- C25 H16 Cl Fe N9 S -","- C50 H32 Cl2 Fe2 N18 S2 -","2","0.25","NX2002","Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian","Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1173","1178","10.1107/S205698902300988X","","x-ray","1.54184","CuKα","","0.0227","0.0225","","","0.0653","0.0654","","","","","","1.139","","","","has coordinates,has Fobs","288943","2024-01-07","11:50:35",""
"2202400","9.8106","0.0012","9.8106","0.0012","10.8547","0.0019","90","","90","","90","","1044.7","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","Chlorotetrakis(2-methylimidazole)copper(II) chloride","","- C16 H24 Cl2 Cu N8 -","- C16 H24 Cl2 Cu N8 -","- C32 H48 Cl4 Cu2 N16 -","2","0.25","BT6371","Ana María Atria; .; Piedad Cortés; .; María Teresa Garland; .; Ricardo Baggio; .","[Cu(2-Me-imidH)~4~Cl]Cl: a conflict between high symmetry and packing efficiency","Acta Crystallographica Section E","2003","59","11","m1075","m1077","10.1107/S1600536803024553","","","0.71073","MoKα","","0.062","0.0408","","","0.0786","0.0853","","","","","","0.927","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"4003456","11.5984","0.0002","11.5984","0.0002","5.18","0.0002","90","","90","","90","","696.83","0.03","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- Ge4 K4 Li2 O13 Ti -","- Ge4 K4 Li2 O13 Ti -","- Ge8 K8 Li4 O26 Ti2 -","2","0.25","","Xu, Jingjing; Wu, Hongping; Yu, Hongwei; Zhang, Weiguo; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv","Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05267","","","0.71073","MoKα","","0.0196","0.0175","","","0.0296","0.03","","","","","","1.065","","","","has coordinates","246777","2020-10-21","18:00:00",""
"4061450","10.3951","0.0005","10.3951","0.0005","20.1372","0.0013","90","","90","","90","","2176","0.2","300","2","300","2","","","","","","","","5","P 4 n c","P 4 -2n","104","Ru2(ap)4(C6H)","","","- C50 H39 N8 O Ru2 -","- C50 H37 N8 O Ru2 -","- C100 H74 N16 O2 Ru4 -","2","0.25","","Ren, Tong","Iterative Synthesis of Oligoynes Capped by A Ru2-terminus","Organometallics","2005","","","","","10.1021/om050171i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4067795","15.6941","0.0004","15.6941","0.0004","7.2842","0.0002","90","","90","","90","","1794.13","0.08","200","2","200","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C41 H41 Co O8 -","- C41 H41 Co O8 -","- C82 H82 Co2 O16 -","2","0.25","","Bertrand, Guillaume; Tortech, Ludovic; Fichou, Denis; Malacria, Max; Aubert, Corinne; Gandon, Vincent","An Improved Protocol for the Synthesis of [(η4-C4R4)Co(η5-C5H5)] Complexes","Organometallics","2012","31","1","126","","10.1021/om200662g","","","0.71073","MoKα","","0.0419","0.035","","","0.0884","0.0919","","","","","","1.146","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4086148","12.113","0.006","12.113","0.006","11.029","0.006","90","","90","","90","","1618.2","1.4","173","","173","","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C28 H48 Mo N12 -","- C28 H48 Mo N12 -","- C56 H96 Mo2 N24 -","2","0.25","","Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake","Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)","Organometallics","2015","34","13","3414","","10.1021/acs.organomet.5b00391","","","0.71075","MoKα","","0.0478","0.0396","","","0.065","0.0684","","","","","","1.101","","","","has coordinates","152772","2020-10-21","18:00:00",""
"4104137","17.3377","0.0006","17.3377","0.0006","14.7455","0.0005","90","","90","","90","","4432.4","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O26 -","- C60 H80 Cu4 N8 O26 -","- C120 H160 Cu8 N16 O52 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0998","0.0699","","","0.1511","0.1662","","","","","","1.074","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104138","17.4666","0.0007","17.4666","0.0007","14.7514","0.0006","90","","90","","90","","4500.4","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O32 -","- C60 H80 Cu4 N8 O32 -","- C120 H160 Cu8 N16 O64 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1004","0.0749","","","0.1591","0.172","","","","","","1.105","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104139","17.363","0.003","17.363","0.003","14.709","0.003","90","","90","","90","","4434.4","1.4","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O36 -","- C60 H80 Cu4 N8 O36 -","- C120 H160 Cu8 N16 O72 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1234","0.0722","","","0.1651","0.1916","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104140","17.5453","0.0011","17.5453","0.0011","14.7194","0.0011","90","","90","","90","","4531.2","0.5","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O24 -","- C60 H80 Cu4 N8 O24 -","- C120 H160 Cu8 N16 O48 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1035","0.0482","","","0.1031","0.1165","","","","","","0.881","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104141","17.267","0.002","17.267","0.002","14.68","0.003","90","","90","","90","","4376.8","1.1","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O26 -","- C60 H80 Cu4 N8 O26 -","- C120 H160 Cu8 N16 O52 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1016","0.0767","","","0.1919","0.2101","","","","","","1.062","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104142","17.3525","0.0006","17.3525","0.0006","14.7188","0.0005","90","","90","","90","","4432","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C15 H20 Cu N2 O9 -","- C15 H20 Cu N2 O9 -","- C120 H160 Cu8 N16 O72 -","8","1","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0655","0.0511","","","0.1193","0.1255","","","","","","1.045","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104143","17.1318","0.0005","17.1318","0.0005","15.0575","0.0005","90","","90","","90","","4419.4","0.2","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C56 H80 Cu4 N8 O30 -","- C56 H80 Cu4 N8 O30 -","- C112 H160 Cu8 N16 O60 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0814","0.0643","","","0.1721","0.1839","","","","","","1.088","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4106833","12.5278","0.001","12.5278","0.001","12.6511","0.0007","90","","90","","90","","1985.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 4 n c","P 4 -2n","104","","","","- C24 H28 Bi2 Cl4 I6 N4 -","- C24 H28 Bi2 Cl4 I6 N4 -","- C48 H56 Bi4 Cl8 I12 N8 -","2","0.25","","Nicolas Leblanc; Nicolas Mercier; Leokadiya Zorina; Sergey Simonov; Pascale Auban-Senzier; Claude Pasquier","Large Spontaneous Polarization and Clear Hysteresis Loop of a Room-Temperature Hybrid Ferroelectric Based on Mixed-Halide [BiI3Cl2] Polar Chains and Methylviologen Dication","Journal of the American Chemical Society","2011","133","","14924","14927","10.1021/ja206171s","","x-ray","0.71073","MoKα","","0.0789","0.0348","","","0.0731","0.084","","","","","","1.029","","","","has coordinates","264242","2021-04-16","08:51:47",""
"4108806","16.4925","0.0013","16.4925","0.0013","8.4974","0.0013","90","","90","","90","","2311.3","0.4","295","2","295","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C14 H16 O -","- C14 H16 O -","- C112 H128 O8 -","8","1","","Sabyasachi Bhunia; Rai-Shung Liu","Gold-Catalyzed 1,3-Addition of a sp3-Hybridized C-H Bond to Alkenylcarbenoid Intermediate","Journal of the American Chemical Society","2008","130","","16488","16489","10.1021/ja807384a","","","0.71073","MoKα","","0.0564","0.0387","","","0.0866","0.0938","","","","","","0.911","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108962","13.413","0.0016","13.413","0.0016","17.257","0.003","90","","90","","90","","3104.7","0.8","100","2","100","2","","","","","","","","8","P 4 n c","P 4 -2n","104","","","","- C4 H30 I K2 N2 O24 P8 Pt2 -","- C4 H6 I K2 N2 O24 P8 Pt2 -","- C16 H24 I4 K8 N8 O96 P32 Pt8 -","4","0.5","","Hiroaki Iguchi; Shinya Takaishi; Takashi Kajiwara; Hitoshi Miyasaka; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Mixed Charge-Ordering State of MMX-Type Quasi-One-Dimensional Iodide-Bridged Platinum Complexes with Binary Countercations","Journal of the American Chemical Society","2008","130","","17668","17669","10.1021/ja807901p","","","0.71073","MoKα","","0.0305","0.0233","","","0.056","0.0577","","","","","","0.983","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4118022","13.484","0.001","13.484","0.001","9.799","0.001","90","","90","","90","","1781.6","0.3","200","2","200","2","","","","","","","","5","P 4 n c","P 4 -2n","104","[TcNCl(LMe)4]Cl","Tetrakis(1,3,4,5-tetramethylimidazol-2-ylidene)nitridotechnetium(V) chloride","","- C28 H48 Cl2 N9 Tc -","- C28 H48 Cl2.04 N9 Tc -","- C56 H96 Cl4.08 N18 Tc2 -","2","0.25","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.106","0.0671","","","0.1745","0.2092","","","","","","0.69","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4121069","17.2136","0.0004","17.2136","0.0004","32.7939","0.0019","90","","90","","90","","9717.1","0.6","293","2","293","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C2.8 H3.73 Br0.08 N1.4 Ni0.27 O0.06 -","- C2.79612 H3.72816 Br0.0776699 N1.39806 Ni0.271845 O0.0582524 -","- C288 H384 Br8 N144 Ni28 O6 -","103","12.875","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.072","0.0661","","","0.1864","0.1997","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121071","16.9957","0.0001","16.9957","0.0001","32.7949","0.0005","90","","90","","90","","9472.93","0.16","100","2","100","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C144 H192 N72 Ni14 -","- C144 H192 N72 Ni14 -","- C288 H384 N144 Ni28 -","2","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0575","0.0424","","","0.1061","0.1172","","","","","","1.06","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4127348","17.0704","0.0003","17.0704","0.0003","32.8329","0.0006","90","","90","","90","","9567.5","0.3","100","2","100","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C144 H188 N76 Ni14 O12 -","- C144 H188 N76 Ni14 O12 -","- C288 H376 N152 Ni28 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.055","0.0458","","","0.1206","0.1274","","","","","","1.05","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127350","17.00574","0.00007","17.00574","0.00007","33.0599","0.0002","90","","90","","90","","9560.76","0.08","100","2","100","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C144 H192 Cu6 N76 Ni8 O12 -","- C144 H192 Cu6 N76 Ni8 O12 -","- C288 H384 Cu12 N152 Ni16 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54184","CuKα","","0.0662","0.0638","","","0.1831","0.1867","","","","","","1.06","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4128561","29.9757","0.0004","29.9757","0.0004","25.6092","0.0005","90","","90","","90","","23011","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C336 H348 Ag40 P8 S24 -","- C336 H348 Ag40 P8 S24 -","- C672 H696 Ag80 P16 S48 -","2","0.25","","Yuan, Xiting; Sun, Cunfa; Li, Xihua; Malola, Sami; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lan-Sun; Zheng, Nanfeng","Combinatorial Identification of Hydrides in a Ligated Ag<sub>40</sub> Nanocluster with Noncompact Metal Core.","Journal of the American Chemical Society","2019","141","30","11905","11911","10.1021/jacs.9b03009","","x-ray","0.71073","MoKα","","0.1729","0.1055","","","0.2655","0.3327","","","","","","1.056","","","","has coordinates","221641","2020-10-21","18:00:00",""
"4303684","10.655","0.0001","10.655","0.0001","11.1445","0.0002","90","","90","","90","","1265.22","0.03","200","","200","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C10 H15 Cl4 N5 O16 U -","- C10 H12 Cl4 N5 O16 U -","- C20 H24 Cl8 N10 O32 U2 -","2","0.25","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer","Nitrate and Perchlorate Complexes of Uranium(IV)","Inorganic Chemistry","2009","48","","10877","10879","10.1021/ic901386y","","","0.71073","MoKα","","0.0265","0.0156","","","0.0356","0.0429","","","","","","1.185","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4312815","15.2139","0.0008","15.2139","0.0008","9.6116","0.0007","90","","90","","90","","2224.7","0.2","223","2","223","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C46 H36 Cl5 F4 N8 Rh2 -","- C46 H36 Cl5 F4 N8 Rh2 -","- C92 H72 Cl10 F8 N16 Rh4 -","2","0.25","","Karl M. Kadish; Tuan D. Phan; Lingamallu Giribabu; Eric Van Caemelbecke; John L. Bear","Substituent and Isomer Effects on Structural, Spectroscopic, and Electrochemical Properties of Dirhodium(III,II) Complexes Containing Four Identical Unsymmetrical Bridging Ligands","Inorganic Chemistry","2003","42","","8663","8673","10.1021/ic034963l","","","0.71073","MoKα","","0.029","0.0207","","","0.048","0.0541","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328996","9.7393","0.0014","9.7393","0.0014","8.4141","0.0017","90","","90","","90","","798.1","0.2","153","2","153","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C4 H12 Cl2 Co N20 -","- C4 H12 Cl2 Co N20 -","- C8 H24 Cl4 Co2 N40 -","2","0.25","","Fang-Hua Zhao; Yun-Xia Che; Ji-Min Zheng; Fernande Grandjean; Gary J. Long","Two Acentric Mononuclear Molecular Complexes with Unusual Magnetic and Ferroelectric Properties","Inorganic Chemistry","2012","51","","4862","4868","10.1021/ic300394c","","","0.71073","MoKα","","0.0218","0.0204","","","0.0588","0.0597","","","","","","1.002","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328997","9.5134","0.001","9.5134","0.001","8.8507","0.0019","90","","90","","90","","801","0.2","294","2","294","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C4 H12 Cl2 Cu N20 -","- C4 H12 Cl2 Cu N20 -","- C8 H24 Cl4 Cu2 N40 -","2","0.25","","Fang-Hua Zhao; Yun-Xia Che; Ji-Min Zheng; Fernande Grandjean; Gary J. Long","Two Acentric Mononuclear Molecular Complexes with Unusual Magnetic and Ferroelectric Properties","Inorganic Chemistry","2012","51","","4862","4868","10.1021/ic300394c","","","0.71073","MoKα","","0.0248","0.0213","","","0.0533","0.0545","","","","","","1","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329345","14.5956","0.0016","14.5956","0.0016","12.8842","0.0014","90","","90","","90","","2744.7","0.5","213","2","213","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C20 H20.25 N6 O6.125 Zn -","- C20 H16 N6 O6.125 Zn -","- C80 H64 N24 O24.5 Zn4 -","4","0.5","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0782","0.0541","","","0.1426","0.1582","","","","","","0.901","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4330404","13.5079","0.0011","13.5079","0.0011","17.531","0.002","90","","90","","90","","3198.8","0.5","100","2","100","2","","","","","","","","8","P 4 n c","P 4 -2n","104","","","","- C4 H30 I N2 O24 P8 Pt2 Rb2 -","- C4 H10 I N2 O24 P8 Pt2 Rb2 -","- C16 H40 I4 N8 O96 P32 Pt8 Rb8 -","4","0.5","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0536","0.026","","","0.0423","0.0455","","","","","","0.715","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330405","13.5401","0.0016","13.5401","0.0016","17.555","0.003","90","","90","","90","","3218.4","0.8","250","2","250","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C3 H27 Cl I N2 O24 P8 Pt2 Rb2 -","- C3 Cl I N2 O24 P8 Pt2 Rb2 -","- C12 Cl4 I4 N8 O96 P32 Pt8 Rb8 -","4","0.5","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0588","0.0309","","","0.0534","0.0588","","","","","","0.831","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4335534","24.469","0.0004","24.469","0.0004","17.8752","0.0013","90","","90","","90","","10702.5","0.8","100","10","100","10","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C208 H132 Cl16 Dy N20 O20 Y -","- C208 H124 Cl16 Dy N20 O20 Y -","- C416 H248 Cl32 Dy2 N40 O40 Y2 -","2","0.25","","Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang","Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature","Inorganic Chemistry","2013","52","","8505","8510","10.1021/ic400485y","","","1.54178","CuKα","","0.1319","0.1129","","","0.3115","0.3297","","","","","","1.397","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335535","24.4126","0.0002","24.4126","0.0002","18.0724","0.0004","90","","90","","90","","10770.7","0.3","126","9","126","9","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C212 H129 Cl28 Dy2 N20 O16 -","- C212 H124 Cl28 Dy2 N20 O16 -","- C424 H248 Cl56 Dy4 N40 O32 -","2","0.25","","Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang","Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature","Inorganic Chemistry","2013","52","","8505","8510","10.1021/ic400485y","","","1.54178","CuKα","","0.0774","0.067","","","0.1934","0.2032","","","","","","1.091","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335536","24.4237","0.0001","24.4237","0.0001","18.1193","0.0003","90","","90","","90","","10808.5","0.19","107","20","107","20","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C212 H136 Cl28 Dy N20 O20 Y -","- C212 H124 Cl28 Dy N20 O20 Y -","- C424 H248 Cl56 Dy2 N40 O40 Y2 -","2","0.25","","Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang","Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature","Inorganic Chemistry","2013","52","","8505","8510","10.1021/ic400485y","","","1.54178","CuKα","","0.0882","0.0808","","","0.2188","0.2269","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4346069","20.7139","0.0003","20.7139","","8.143","0.0002","90","","90","","90","","3493.88","0.1","100","2","100","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H77 N4 O20.5 Pb4 -","- C60 H76 N4 O20 Pb4 -","- C120 H152 N8 O40 Pb8 -","2","0.25","","Liu, Lin; Han, Zheng-Bo; Wang, Shi-Ming; Yuan, Da-Qiang; Ng, Seik Weng","Robust molecular bowl-based metal-organic frameworks with open metal sites: size modulation to increase the catalytic activity.","Inorganic chemistry","2015","54","8","3719","3721","10.1021/acs.inorgchem.5b00185","","","0.71073","MoKα","","0.0311","0.026","","","0.0517","0.0537","","","","","","1.025","","","","has coordinates","231606","2020-10-21","18:00:00",""
"4346070","20.9045","0.0004","20.9045","","8.1317","0.0003","90","","90","","90","","3553.54","0.15","100","2","100","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C48 H56 O20 Pb4 -","- C48 H48 O16 Pb4 -","- C96 H96 O32 Pb8 -","2","0.25","","Liu, Lin; Han, Zheng-Bo; Wang, Shi-Ming; Yuan, Da-Qiang; Ng, Seik Weng","Robust molecular bowl-based metal-organic frameworks with open metal sites: size modulation to increase the catalytic activity.","Inorganic chemistry","2015","54","8","3719","3721","10.1021/acs.inorgchem.5b00185","","","0.71073","MoKα","","0.0402","0.0342","","","0.0783","0.0813","","","","","","1.052","","","","has coordinates,has disorder","231606","2020-10-21","18:00:00",""
"4502373","11.924","0.002","11.924","0.002","14.885","0.006","90","","90","","90","","2116.4","1","293","2","293","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C44 H42 Cd2 Cl2 N16 O -","- C44 H42 Cd2 Cl2 N16 O -","- C88 H84 Cd4 Cl4 N32 O2 -","2","0.25","","Wang, Yong-Tao; Tang, Gui-Mei; Wei, Yong-Qin; Qin, Ting-Xiao; Li, Tian-Duo; He, Chao; Ling, Ji-Bei; Long, Xi-Fa; Weng Ng, Seik","Two New Nonlinear Optical and Ferroelectric Three-Dimensional Metal−Organic Frameworks with an sqp-net","Crystal Growth & Design","2010","10","1","25","","10.1021/cg901066v","","","0.71073","MoKα","","0.0206","0.0186","","","0.0462","0.0475","","","","","","1.068","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4502374","11.9525","0.0006","11.952","","15.0052","0.0007","90","","90","","90","","2143.59","0.15","293","2","293","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C44 H42 Br2 Cd2 N16 O -","- C44 H42 Br2 Cd2 N16 O -","- C88 H84 Br4 Cd4 N32 O2 -","2","0.25","","Wang, Yong-Tao; Tang, Gui-Mei; Wei, Yong-Qin; Qin, Ting-Xiao; Li, Tian-Duo; He, Chao; Ling, Ji-Bei; Long, Xi-Fa; Weng Ng, Seik","Two New Nonlinear Optical and Ferroelectric Three-Dimensional Metal−Organic Frameworks with an sqp-net","Crystal Growth & Design","2010","10","1","25","","10.1021/cg901066v","","","0.71073","MoKα","","0.0337","0.0279","","","0.0748","0.077","","","","","","1.066","","","","has coordinates,has disorder","179554","2020-10-21","18:00:00",""
"4515375","26.777","0.0006","26.777","0.0006","18.7751","0.0006","90","","90","","90","","13461.9","0.6","293","2","293","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C18.5 H7 Cu2 O12 -","- C18.5 H7 Cu2 O12 -","- C296 H112 Cu32 O192 -","16","2","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1418","0.1291","","","0.3419","0.3679","","","","","","1.634","","","","has coordinates","225528","2020-10-21","18:00:00",""
"7005597","17.183","0.008","17.183","0.008","8.128","0.006","90","","90","","90","","2400","2","173","2","173","2","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C40 H39 Cu F12 N8 O7.5 P2 -","- C40 H36 Cu F12 N8 O9 P2 -","- C80 H72 Cu2 F24 N16 O18 P4 -","2","0.25","","Hoffart, Dennis J.; Habermehl, Nicolle C.; Loeb, Stephen J.","4,4'-Bipyridine-N-monoxide. A hybrid ligand for building networks using a combination of metal-ligand and hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2870","2875","10.1039/b703456c","","","0.71073","MoKα","","0.0831","0.0676","","","0.1599","0.1719","","","","","","1.111","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7005600","17.347","0.004","17.347","0.004","8.061","0.004","90","","90","","90","","2425.7","1.4","173","2","173","2","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C42 H36 F6 N8 O12 S2 Zn -","- C42 H36 F6 N8 O12 S2 Zn -","- C84 H72 F12 N16 O24 S4 Zn2 -","2","0.25","","Hoffart, Dennis J.; Habermehl, Nicolle C.; Loeb, Stephen J.","4,4'-Bipyridine-N-monoxide. A hybrid ligand for building networks using a combination of metal-ligand and hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2870","2875","10.1039/b703456c","","","0.71073","MoKα","","0.106","0.0997","","","0.2657","0.2704","","","","","","1.189","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7019011","14.6513","0.0005","14.6513","0.0005","19.1456","0.0015","90","","90","","90","","4109.8","0.4","296","2","296","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C26 H40 Cl Cu4 Mo12 N32 O40 P S8 -","- C26 H40 Cl Cu4 Mo12 N32 O40 P S8 -","- C52 H80 Cl2 Cu8 Mo24 N64 O80 P2 S16 -","2","0.25","","Gong, Jingjing; Zhang, Weisong; Liu, Yang; Zhang, Hengchao; Hu, Hailiang; Kang, Zhenhui","Keggin polyanion and copper cluster based coordination polymer towards model for complex nanosystem.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5468","5471","10.1039/c2dt30284e","","","0.71073","MoKα","","0.053","0.046","","","0.1185","0.1249","","","","","","1.038","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7041903","11.7656","0.0001","11.7656","0.0001","11.17831","0.00017","90","","90","","90","","1547.41","0.03","150","2","150","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C28 H49 Cl N8 Ru -","- C28 H49 Cl N8 Ru -","- C56 H98 Cl2 N16 Ru2 -","2","0.25","","Häller, L Jonas L; Mas-Marzá, Elena; Cybulski, Mateusz K.; Sanguramath, Rajashekharayya A.; Macgregor, Stuart A.; Mahon, Mary F.; Raynaud, Christophe; Russell, Christopher A.; Whittlesey, Michael K.","Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)) and their [Ru(R2PCH2CH2PR2)2(L)H](+) congeners.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2861","2873","10.1039/c7dt00117g","","x-ray","1.54184","CuKα","","0.0296","0.0293","","","0.0785","0.0792","","","","","","1.077","","","","has coordinates","193834","2020-10-21","18:00:00",""
"7044008","19.6812","0.0006","19.6812","0.0006","6.43784","0.00019","90","","90","","90","","2493.69","0.13","200","","200","","","","","","","","","6","P 4 n c","P 4 -2n","104","","[Pc2Y]BF4","","- C64 H32 B F4 N16 Y -","- C64 H32 B F4 N16 Y -","- C128 H64 B2 F8 N32 Y2 -","2","0.25","","Fukuda, Takamitsu; Onodera, Shun; Watanabe, Hirohito; Shirasaki, Kenji; Fuyuhiro, Akira; Yamamura, Tomoo; Ishikawa, Naoto","Observation of magnetic interactions between localized 4f- and itinerant π-electrons in a single crystal of cationic bisphthalocyanine complexes containing diluted spin centres","Dalton Trans.","2017","","","","","10.1039/C7DT02656K","","","0.71075","MoKα","","0.0352","0.0304","","","0.0788","0.0803","","","","","","1.048","","","","has coordinates","199874","2020-10-21","18:00:00",""
"7044009","19.5834","0.0007","19.5834","0.0007","6.489","0.0002","90","","90","","90","","2488.59","0.15","200","","200","","","","","","","","","7","P 4 n c","P 4 -2n","104","","[Pc2Y0.95Tb0.05]BF4","","- C64 H32 B F4 N16 Tb0.05 Y0.95 -","- C64 H32 B F4 N16 Tb0.05 Y0.95 -","- C128 H64 B2 F8 N32 Tb0.1 Y1.9 -","2","0.25","","Fukuda, Takamitsu; Onodera, Shun; Watanabe, Hirohito; Shirasaki, Kenji; Fuyuhiro, Akira; Yamamura, Tomoo; Ishikawa, Naoto","Observation of magnetic interactions between localized 4f- and itinerant π-electrons in a single crystal of cationic bisphthalocyanine complexes containing diluted spin centres","Dalton Trans.","2017","","","","","10.1039/C7DT02656K","","","0.71075","MoKα","","0.027","0.0244","","","0.0682","0.0694","","","","","","1.066","","","","has coordinates","199874","2020-10-21","18:00:00",""
"7050753","15.039","0.002","15.039","0.002","8.896","0.002","90","","90","","90","","2012","0.6","293","2","293","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","N,N'-Bis(2-pyridyl) -3,3'-methylenebis(aminobenzene) 0.5 ethanol solvate","","- C24 H23 N4 O0.5 -","- C24 H20 N4 O0.5 -","- C96 H80 N16 O2 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz","Supramolecular structures formed by 2-aminopyridine derivatives.","New Journal of Chemistry","2002","26","4","448","","10.1039/b108861k","","","1.54178","CuKα","","0.0926","0.0355","","","0.0775","0.0908","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102328","27.083","0.004","27.083","0.004","14.675","0.003","90","","90","","90","","10764","3","193","2","193","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C132 H204 N52 O12 Zn16 -","- C132 H204 N52 O12 Zn16 -","- C264 H408 N104 O24 Zn32 -","2","0.25","","Li, Hong-Xi; Wu, Hua-Zhou; Zhang, Wen-Hua; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","Unique formation of two high-nuclearity metallamacrocycles from a mononuclear complex [Zn(dmpzdtc)2] (dmpzdtc=3,5-dimethylpyrazole-1-dithiocarboxylate) via CS2 elimination.","Chemical communications (Cambridge, England)","2007","","47","5052","5054","10.1039/b710787k","","","0.71073","MoKα","","0.0707","0.0624","","","0.1615","0.1666","","","","","","1.11","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7106706","19.4133","0.0004","19.4133","0.0004","29.968","0.002","90","","90","","90","","11294.2","0.8","93","","93","","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C234 H249 Cl4 N9 Ni2 O59 -","- C234 H208 Cl4 N9 Ni2 O59 -","- C468 H416 Cl8 N18 Ni4 O118 -","2","0.25","","Zhiou Li; Norifumi Kishi; Kimiko Hasegawa; Munetaka Akita; Michito Yoshizawa","A Highly Fluorescent M2L4 Molecular Capsule with an Anthracene Shell","Chem.Commun.","2011","47","","8605","","10.1039/c1cc12946e","","","1.54187","CuKα","","","0.0573","","","","0.1606","","","","","","0.981","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7216433","14.703","0.002","14.703","0.002","19.139","0.005","90","","90","","90","","4137.4","1.3","150","2","150","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C52 H80 Cl2 Cu8 N64 O80 P2 S16 W24 -","2","0.25","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.061","0.0373","","","0.0758","0.0863","","","","","","1.003","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7231798","10.9722","0.0009","10.9722","0.0009","10.46","0.0003","90","","90","","90","","1259.27","0.15","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","NiBr2(3cypy)4","- C24 H16 Br2 N8 Ni -","- C24 H16 Br2 N8 Ni -","- C48 H32 Br4 N16 Ni2 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0044","1.856","","","","","","","has coordinates","287932","2023-12-01","13:55:24",""
"7231801","11.2178","0.0005","11.2178","0.0005","10.3309","0.0006","90","","90","","90","","1300.03","0.11","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)manganat","Dibromo-tetra(3-cyanopyridine)manganat","MnBr2(3-cypy)4","- C24 H16 Br2 Mn N8 -","- C24 H16 Br2 Mn N8 -","- C48 H32 Br4 Mn2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00933","1.04","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231804","11.0587","0.0004","11.0587","0.0004","10.4149","0.0005","90","","90","","90","","1273.69","0.09","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","CoBr2(3cypy)4","- C24 H16 Br2 Co N8 -","- C24 H16 Br2 Co N8 -","- C48 H32 Br4 Co2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01015","1.162","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7239718","17.3","0.0002","17.3","0.0002","14.446","0.0003","90","","90","","90","","4323.54","0.11","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C32 H80 Gd9 N16 O50 -","- C32 H80 Gd9 N16 O50 -","- C64 H160 Gd18 N32 O100 -","2","0.25","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0253","0.0236","","","0.0563","0.0573","","","","","","1.033","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7244981","29.8693","0.0016","29.8693","0.0016","21.918","0.003","90","","90","","90","","19555","3","190","1","190","1","","","","","","","","6","P 4 n c","P 4 -2n","104","","cluster-1","","- C272 H264 Cd8 N16 O68 Tb4 -","- C272 H264 Cd8 N16 O68 Tb4 -","- C544 H528 Cd16 N32 O136 Tb8 -","2","0.25","","Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond","Construction of a Cd8Tb4 nanoring for luminescence response to 2,6-dipicolinic acid as an anthrax biomarker","CrystEngComm","2022","","","","","10.1039/D2CE00502F","","","0.71073","MoKα","","0.2175","0.098","","","0.174","0.2272","","","","","","0.934","","","","has coordinates","275630","2022-05-24","22:32:26",""
"7246451","14.404","0.007","14.404","0.007","9.018","0.008","90","","90","","90","","1871","2","120","2","120","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C46 H47 N5 -","- C46 H47 N5 -","- C92 H94 N10 -","2","0.25","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.1918","0.0786","","","0.1657","0.234","","","","","","1.072","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7710673","17.5495","0.0001","17.5495","0.0001","15.9061","0.0001","90","","90","","90","","4898.84","0.05","100","0.1","100.15","","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C16 H124 N40 O70 S8 V8 -","- C16 H48 N40 O32 S8 V8 -","- C32 H96 N80 O64 S16 V16 -","2","0.25","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0487","0.0477","","","0.1279","0.1292","","","","","","1.039","","","","has coordinates","276501","2022-07-02","22:53:45",""
"9002335","15.487","","15.487","","11.764","","90","","90","","90","","2821.56","","","","","","","","","","","","","8","P 4 n c","P 4 -2n","104","","","Vesuvianite","- Al12 Ca18.76 H9 Mg0.148 Mn0.852 Na0.24 O78 Si18 -","- Al12 Ca18.76 H9 Mg0.148 Mn0.852 Na0.24 O78 Si18 -","- Al24 Ca37.52 H18 Mg0.296 Mn1.704 Na0.48 O156 Si36 -","2","0.25","","Armbruster, T.; Gnos, E.","P4/n and P4nc long-ranged ordering in low-temperature vesuvianites Sample: from N'chwaning II mine, RSA","American Mineralogist","2000","85","","563","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""