# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-24T00:38:54+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4 b 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1510604","12.2002","","12.2002","","3.8668","","90","","90","","90","","575.553","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","Na Bi2 Au O5","","- Au Bi2 Na O5 -","- Au Bi2 Na O5 -","- Au4 Bi8 Na4 O20 -","4","0.5","","Geb, J.; Jansen, M.","Darstellung und Kristallstruktur von N Bi2 Au O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","48","52","10.1002/zaac.19946200108","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516319","13.1545","0.0015","13.1545","0.0015","7.9818","0.0009","90","","90","","90","","1381.2","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -4 b 2","P -4 -2ab","117","","","","- C25 H16 N4 O4 -","- C25 H16 N4 O4 -","- C50 H32 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0892","0.0807","","","0.2344","0.2417","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516320","13.421","0.003","13.421","0.003","8.528","0.0019","90","","90","","90","","1536.1","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -4 b 2","P -4 -2ab","117","","","","- C24 H16 N4 O4 Si -","- C24 H16 N4 O4 Si -","- C48 H32 N8 O8 Si2 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.1102","0.0494","","","0.1023","0.1221","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521399","5.377","","5.377","","7.622","","90","","90","","90","","220.368","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","(Li0.479 Nd0.521) Ti O2.604","","- Li0.479 Nd0.521 O2.604 Ti -","- Li0.479 Nd0.521 O2.6045 Ti -","- Li1.916 Nd2.084 O10.418 Ti4 -","4","0.5","","Kim, J.-S.; Cheon, C.-I.; Nam, S.; Lee, C.-H.; Kang, H.-J.; Kim, K.-Y.; Byun Jae Dong","Crystal structure and microwave dielectric properties of Ca Ti O3 -(Li1/2 Nd1/2) Ti O3 - (Ln1/3 Nd1/3) Ti O3 (Ln = La, Dy) ceramics","Japanese Journal of Applied Physics, Part 1","1999","38","","5633","5637","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525093","11.31","","11.31","","4.63","","90","","90","","90","","592.252","","","","","","","","","","","","","3","P -4 b 2","P -4 -2ab","117","","","","- Cd2 Ge7 O16 -","- Cd2 Ge7 O16 -","- Cd4 Ge14 O32 -","2","0.25","","Plattner, E.; Voellenkle, H.","Die Kristallstruktur der Verbindung Cd2 Ge7 O16","Monatshefte fuer Chemie (-108,1977)","1977","108","","443","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533743","10.9311","","10.9311","","7.7993","","90","","90","","90","","931.93","","","","","","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","H Cs1.77 K1.23 (Ge O)4 (Ge O4)3 (H2 O)4","","- Cs1.77 Ge7 H9 K1.23 O20 -","- Cs1.77 Ge7 K1.23 O20 -","- Cs3.54 Ge14 K2.46 O40 -","2","0.25","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537806","10.317","","10.317","","6.276","","90","","90","","90","","668.021","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","Cs6 (S F5)4 (H F2)2","","- Cs6 F24 H2 S4 -","- Cs6 F24 H2 S4 -","- Cs6 F24 H2 S4 -","1","0.125","","Bittner, J.; Fuchs, J.; Seppelt, K.","Die Kristallstruktur des (S F5)(-) - Anions","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","557","","182","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539548","5.71","","5.71","","16.458","","90","","90","","90","","536.598","","","","","","","","","","","","","3","P -4 b 2","P -4 -2ab","117","","Sr2 Cu F6","","- Cu F6 Sr2 -","- Cu F6 Sr2 -","- Cu4 F24 Sr8 -","4","0.5","","von der Muehll, R.; Dumora, D.; Ravez, J.; Hagenmuller, P.","Deux Nouvelles Structures Difluorine et Trifluorine","Journal of Solid State Chemistry","1970","2","","262","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1551849","15.995","0.003","15.995","0.003","7.7772","0.0012","90","","90","","90","","1989.7","0.6","90","","90","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","","","- C42 H22 B2 F20 -","- C42 H22 B2 F20 -","- C84 H44 B4 F40 -","2","0.25","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.024","","","","0.0638","","","","","","1.068","","","","has coordinates","216470","2020-10-21","18:00:00",""
"2002340","6.7569","0.0006","6.7569","0.0006","5.91191","","90","","90","","90","","269.9","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","Barium dineodymium platinate(II)","","- Ba Nd2 O5 Pt -","- Ba Nd2 O5 Pt -","- Ba2 Nd4 O10 Pt2 -","2","0.25","","Schiffler, S; Mueller-Buschbaum, Hk","Isolierte quadratische Koordination von Pt2+ in Ba Nd2 Pt5.","Zeitschrift fuer Anorganische und Allgemeine Chemie","1985","523","","63","68","10.1002/zaac.19855230409","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002482","6.6566","0.001","6.6566","0.001","5.896","0.0006","90","","90","","90","","261.3","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","Barium platinum dieuropium oxide","","- Ba Eu2 O5 Pt -","- Ba Eu2 O5 Pt -","- Ba2 Eu4 O10 Pt2 -","2","0.25","","Mueller-Buschbaum, Hk; Lang, C","Notiz ueber Synthese und Kristallstruktur von Ba Pt Eu2 O5 und Ba Ni Eu2 O5","Journal of the Less-Common Metals","1988","142","","L1","L3","10.1016/0022-5088(88)90195-6","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2016027","11.3391","0.0006","11.3391","0.0006","4.6371","0.0002","90","","90","","90","","596.22","0.05","295","2","","","","","","","","","","3","P -4 b 2","P -4 -2ab","117","","dicalcium heptagermanate","","- Ca2 Ge7 O16 -","- Ca2 Ge7 O16 -","- Ca4 Ge14 O32 -","2","0.25","FA3088","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Dicalcium heptagermanate Ca~2~Ge~7~O~16~ revised","Acta Crystallographica Section C","2007","63","7","i47","i50","10.1107/S010827010702269X","","","0.71073","MoKα","","","0.0227","","","","0.0568","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2022491","21.507","0.004","21.507","0.004","13.434","0.004","90","","90","","90","","6214","2","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","2,2''-({[(1<i>E</i>,1'<i>E</i>)-(Diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one]","","- C70 H70 N8 O4 Se2 -","- C70 H70 N8 O4 Se2 -","- C280 H280 N32 O16 Se8 -","4","0.5","ZL5020","Malla, Manzoor Ahmad; Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K.","Crystal structure, Hirshfeld surface analysis and DFT study of 2,2''-({[(1<i>E</i>,1'<i>E</i>)-(diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one]","Acta Crystallographica Section E","2022","78","1","1","7","10.1107/S2056989021013189","","","0.71073","MoKα","","0.0924","0.0699","","","0.134","0.1416","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","272813","2022-02-06","04:32:03",""
"2104472","13.7958","0.0004","13.7958","0.0004","3.6371","0.0002","90","","90","","90","","692.23","0.05","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Cl6 N2 Zn -","- C10 H6 Cl6 N2 Zn -","- C20 H12 Cl12 N4 Zn2 -","2","0.25","SO5025","Wang, Ruimin; Lehmann, Christian W.; Englert, Ulli","Weak interactions in chain polymers [<i>M</i>(μ-<i>X</i>)~2~<i>L</i>~2~]~{∞~} (<i>M</i> = Zn, Cd; <i>X</i> = Cl, Br; <i>L</i> = substituted pyridine) ‒ an electron density study","Acta Crystallographica Section B","2009","65","5","600","611","10.1107/S0108768109028626","","","0.71073","MoKα","","0.0269","0.0228","","","0.0488","0.0494","","","","","","1.087","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2216177","17.543","0.003","17.543","0.003","10.42","0.003","90","","90","","90","","3206.8","1.2","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","Bis(μ-2-{[3-(dimethylamino)propyl]iminomethyl}phenolato- κ^4^N,N',O:O)bis[(acetato-κ^2^O,O')cadmium(II)] monohydrate","","- C28 H42 Cd2 N4 O7 -","- C28 H42 Cd2 N4 O7 -","- C112 H168 Cd8 N16 O28 -","4","0.5","YA2057","Wen-Xuan Cai; Xiao-Yong Zheng; Hong Su; Yun-Long Feng","Bis(μ-2-{[3-(dimethylamino)propyl]iminomethyl}phenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>)bis[(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] monohydrate","Acta Crystallographica Section E","2007","63","11","m2828","m2829","10.1107/S1600536807052105","","","0.71073","MoKα","","0.031","0.022","","","0.044","0.046","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2232077","11.618","0.003","11.618","0.003","17.761","0.004","90","","90","","90","","2397.3","1","290","2","290","2","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","2,4-Dibromo-6-<i>tert</i>-butylbenzene-1,3-diol","","- C10 H12 Br2 O2 -","- C10 H12 Br2 O2 -","- C80 H96 Br16 O16 -","8","1","VM2103","Wang, Xia; Niu, Jun-long; Zhi, Cai-xia","2,4-Dibromo-6-<i>tert</i>-butylbenzene-1,3-diol","Acta Crystallographica Section E","2011","67","10","o2618","","10.1107/S1600536811034866","","","0.71073","MoKα","","0.1122","0.0493","","","0.051","0.059","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"3500085","9.7042","0.0005","9.7042","0.0005","18.6896","0.0011","90","","90","","90","","1760.03","0.16","150","","150","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","tetraoctylammonium bromide","","","- C32 H68 Br N -","- C32 H68 Br N -","- C64 H136 Br2 N2 -","2","0.25","","Thierry Maris","Tetraoctylammonium bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0405","0.04","","","0.1035","0.1044","","","","","","1.099","","","","has coordinates,has Fobs","288507","2023-12-22","15:51:22",""
"4020857","23.519","0.004","23.519","0.004","10.2647","0.0013","90","","90","","90","","5677.8","1.4","223","2","223","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C85 H144 N24 O24 S8 -","- C86.572 H96 N24 O12 S8 -","- C173.144 H192 N48 O24 S16 -","2","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061942","12.6221","0.0014","12.6221","0.0014","12.179","0.002","90","","90","","90","","1940.4","0.5","153","2","153","2","","","","","","","","7","P -4 b 2","P -4 -2ab","117","","","","- C20 H68 Al B4 Li N4 P4 -","- C20 H68 Al B4 Li N4 P4 -","- C40 H136 Al2 B8 Li2 N8 P8 -","2","0.25","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4089030","19.2929","0.0017","19.2929","0.0017","10.2158","0.0009","90","","90","","90","","3802.5","0.6","153","2","153","2","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","","","- C37 H62 Ga2 N4 -","- C37 H62 Ga2 N4 -","- C148 H248 Ga8 N16 -","4","0.5","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0503","0.0453","","","0.1258","0.1279","","","","","","1.207","","","","has coordinates","237935","2020-10-21","18:00:00",""
"4302237","17.4951","0.0005","17.4951","0.0005","13.5849","0.0008","90","","90","","90","","4158","0.3","123","","293","2","","","","","","","","8","P -4 b 2","P -4 -2ab","117","","","","- C8 H23 Ga Mn N5 Se5 Sn Zn0.5 -","- C8 H23 Ga1.005 Mn N5 Se5 Sn Zn0.495 -","- C64 H184 Ga8.04 Mn8 N40 Se40 Sn8 Zn3.96 -","8","1","","Guohai Xu; Peng Guo; Shuyan Song; Hongjie Zhang; Cheng Wang","Molecular Nanocluster with a [Sn4Ga4Zn2Se20]8-T3 Supertetrahedral Core","Inorganic Chemistry","2009","48","","4628","4630","10.1021/ic900376h","","","0.71073","MoKα","","0.0942","0.0517","","","0.132","0.1524","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321417","18.9526","0.0004","18.9526","0.0004","15.8246","0.0002","90","","90","","90","","5684.21","0.18","200","1","200","1","","","","","","","","7","P -4 b 2","P -4 -2ab","117","","","","- C19 H33 Cl2 N3 O9 S2 Zn -","- C19 H33 Cl2 N3 O9 S2 Zn -","- C152 H264 Cl16 N24 O72 S16 Zn8 -","8","1","","Lisa M. Berreau; Magdalena M. Makowska-Grzyska; Atta M. Arif","Amide Alcoholysis in Mononuclear Zinc and Cadmium Complexes Ligated by Thioether Sulfur and Nitrogen Donors","Inorganic Chemistry","2000","39","","4390","4391","10.1021/ic000547e","","","0.71073","MoKα","","0.0471","0.041","","","0.1009","0.1056","","","","","","1.061","","","","has coordinates,has disorder","179317","2020-10-21","18:00:00",""
"4343642","13.089","","13.089","","5.754","","90","","90","","90","","985.786","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","Cs2 Pt (C N)4 (N3)0.25 (H2 O)0.5","","- C4 Cs2 N4.555 Pt -","- C4 Cs2 N4.555 Pt -","- C16 Cs8 N18.22 Pt4 -","4","0.5","","Brown, R.K.; Vidusek, D.A.; Williams, J.M.","... Synthesis, crystal structure, and X-ray diffuse scattering studies of the new partially oxidized tetracyanoplatinate complex Cs2 (Pt (C N)4) (N3)0.25 * 0.5 H2 O","Inorganic Chemistry","1979","18","","801","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7033312","16.569","0.005","16.569","0.005","12.637","0.004","90","","90","","90","","3469.3","1.8","296","2","296","2","","","","","","","","7","P -4 b 2","P -4 -2ab","117","","","","- C12 H36 Ga2 Mn3 N8 S10 Sn2 -","- C12 H36 Ga2.0001 Mn2.9999 N8 S10 Sn2 -","- C48 H144 Ga8.0004 Mn11.9996 N32 S40 Sn8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Feng, Li-Juan; Wang, Chen; Gong, Ya-Ping; Liu, Xin-Ying","[Mn2Ga4Sn4S20](8-) T3 supertetrahedral nanocluster directed by a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2416","2424","10.1039/c4dt02864c","","","0.71073","MoKα","","0.0273","0.0228","","","0.0535","0.0555","","","","","","1.048","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7117489","13.335","","13.335","","7.989","","90","","90","","90","","1420.62","","","","","","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","K4 (Pt2 H8 P8 O20) (H2 O)2","","- H12 K4 O22 P8 Pt2 -","- K4 O22 P8 Pt2 -","- K8 O44 P16 Pt4 -","2","0.25","","Dos Remedios Pinto, M.A.F.; Sanderson, M.R.; Sadler, P.J.; Neidle, S.; Kuroda, R.; Subbiah, A.","A novel di-platinum(II) octaphosphite complex showing metal-metal bonding and intense luminescence, a potential probe for basic proteins. x-ray crystal and molecular structure","Journal of the Chemical Society. Chemical Communications (1972-)","1980","1980","","13","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","148802","2020-10-21","18:00:00",""
"7154864","16.4941","0.0007","16.4941","0.0007","24.5221","0.0009","90","","90","","90","","6671.4","0.5","100","0.1","100","0.1","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C69 H78 Cl2 N4 O14 -","- C69 H78 Cl2 N4 O14 -","- C276 H312 Cl8 N16 O56 -","4","0.5","","Grzybowski, Marek; Jeżewski, Artur; Deperasińska, Irena; Friese, Daniel H.; Banasiewicz, Marzena; Hugues, Vincent; Kozankiewicz, Bolesław; Blanchard-Desce, Mireille; Gryko, Daniel T.","Solvatofluorochromic, non-centrosymmetric π-expanded diketopyrrolopyrrole.","Organic & biomolecular chemistry","2016","14","6","2025","2033","10.1039/c5ob02583d","","","1.54184","CuKα","","0.1402","0.0749","","","0.1875","0.2164","","","","","","0.961","","","","has coordinates","176172","2020-10-21","18:00:00",""
"7202777","14.144","0.003","14.144","0.003","3.8148","0.0007","90","","90","","90","","763.2","0.3","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 1","","","- C10 H6 Cl6 Hg N2 -","- C10 H6 Cl6 Hg N2 -","- C20 H12 Cl12 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0397","0.03","","","0.0735","0.0798","","","","","","1.018","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202778","14.147","0.002","14.147","0.002","3.8871","0.0008","90","","90","","90","","778","0.2","293","2","293","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","Compound 2","","","- C10 H6 Br4 Cl2 Hg N2 -","- C10 H6 Br4 Cl2 Hg N2 -","- C20 H12 Br8 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0268","0.0233","","","0.0507","0.0516","","","","","","0.99","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202779","14.1357","0.0007","14.1357","0.0007","3.9721","0.0003","90","","90","","90","","793.7","0.08","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 3a","","","- C14 H18 Cl2 Hg N2 -","- C14 H18 Cl2 Hg N2 -","- C28 H36 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0236","0.0197","","","0.0487","0.0497","","","","","","1.172","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7212669","13.7352","0.0011","13.7352","0.0011","3.634","0.0004","90","","90","","90","","685.57","0.11","150","2","150","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Cl6 Co N2 -","- C10 H6 Cl6 Co N2 -","- C20 H12 Cl12 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.0307","0.0288","","","0.0888","0.0896","","","","","","1.179","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212670","13.7871","0.001","13.7871","0.001","3.7439","0.0006","90","","90","","90","","711.66","0.14","150","2","150","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Br4 Cl2 Co N2 -","- C10 H6 Br4 Cl2 Co N2 -","- C20 H12 Br8 Cl4 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.031","0.0288","","","0.0902","0.0918","","","","","","1.129","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7236006","16.7806","0.0006","16.7806","0.0006","12.2501","0.0013","90","","90","","90","","3449.5","0.4","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C56 H91 N13 Ni2 O17 -","- C53 H68 N12 Ni2 O8 -","- C106 H136 N24 Ni4 O16 -","2","0.25","","Jiang, Xiang; Kou, Hui-Zhong","Toward a robust porous coordination polymer: the inhibition of mutual movement between interpenetrating sub-networks by introduction of multiple C‒H⋯π interactions","RSC Advances","2015","5","108","89052","","10.1039/C5RA18848B","","","0.71073","MoKα","","0.07","0.0438","","","0.0901","0.0988","","","","","","0.983","","","","has coordinates","233826","2020-10-21","18:00:00",""
"7236007","17.173","0.005","17.173","0.005","11.406","0.005","90","","90","","90","","3364","2","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C57 H96 N12 Ni2 O18 -","- C57 H76 N12 Ni2 O18 -","- C114 H152 N24 Ni4 O36 -","2","0.25","","Jiang, Xiang; Kou, Hui-Zhong","Toward a robust porous coordination polymer: the inhibition of mutual movement between interpenetrating sub-networks by introduction of multiple C‒H⋯π interactions","RSC Advances","2015","5","108","89052","","10.1039/C5RA18848B","","","0.71073","MoKα","","0.0775","0.0546","","","0.1452","0.159","","","","","","1.064","","","","has coordinates","233826","2020-10-21","18:00:00",""
"7715881","28.0735","0.0004","28.0735","0.0004","8.9606","0.0002","90","","90","","90","","7062","0.2","149.98","0.1","149.98","0.1","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C37 H36 Cl Ir N5 O2.5 -","- C36 H29 Cl Ir N5 -","- C288 H232 Cl8 Ir8 N40 -","8","1","","Hashemzadeh, Tahmineh; Christofferson, Andrew Joseph; White, Keith Forrest; Barnard, Peter","Experimental and Theoretical Studies of pH-Responsive Iridium(III) Complexes of Azole and N-Heterocyclic Carbene Ligands","Dalton Transactions","2024","","","","","10.1039/D3DT03766E","","x-ray","0.71073","MoKα","","0.0715","0.0534","","","0.1217","0.1282","","","","","","1.03","","","","has coordinates","291412","2024-04-29","23:01:10",""
"8100783","13.1178","0.0007","13.1178","","6.0819","0.0006","90","","90","","90","","1046.55","0.12","183","2","183","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C7 H14 Au N S2 -","- C7 H14 Au N S2 -","- C28 H56 Au4 N4 S8 -","4","0.5","","Ho, S. Y.; Tiekink, E. R. T.","Refinement of the crystal structure of bis[(di-n-propyldithiocarbamato) gold(I)], C~7~H~14~AuNS~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","589","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8105520","11.1898","0.0008","11.1898","0.0008","16.687","0.0019","90","","90","","90","","2089.4","0.3","293","2","293","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C32 H20 Ce I8 N4 O4 -","- C32 H20 Ce I8 N4 O4 -","- C64 H40 Ce2 I16 N8 O8 -","2","0.25","","Wu, Qiong; Tang, Yafang; Liu, Dian; Zi, Qiaoli; Liu, Faxi; Xiao, Jianchang","Crystal structure of bis(6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-diiodophenolato)-κ4 N,N′,O,O′)cer(IV), C32H20CeI8N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","1","2","10.1515/ncrs-2017-0241","","","0.71073","MoKα","","0.0794","0.0566","","","0.0861","0.0939","","","","","","1.063","","","","has coordinates","276272","2022-06-27","07:59:39",""
"9012287","8.86","","8.86","","6.66","","90","","90","","90","","522.807","","","","","","","","","","","","Synthetic","2","P -4 b 2","P -4 -2ab","117","","","Minium","- O4 Pb3 -","- O4 Pb3 -","- O16 Pb12 -","4","0.5","","Gross, S. T.","The crystal structure of Pb3O4","Journal of the American Chemical Society","1943","65","","1107","1110","10.1021/ja01246a029","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012327","7.74","","7.74","","5.63","","90","","90","","90","","337.28","","","","","","","","","","","","Synthetic","2","P -4 b 2","P -4 -2ab","117","","","Sphaerobismoite","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Gattow, G.; Schutze, D.","Uber Wismutoxide. VI. Uber ein Wismut(III)-oxid mit hoherem sauerstoffgehalt (beta-modifikation) Note: transformed from C-42b","Zeitschrift fur Anorganische und Allgemeine Chemie","1964","328","","44","68","10.1002/zaac.19643280106","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""