# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-08T21:57:19+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I b c a' 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
"1505897","11.277","0.002","11.841","0.002","19.771","0.003","90","","90","","90","","2640","0.8","293","2","293","2","","","","","","","","3","I b c a","-I 2b 2c","73","","diisopropylammonium benzotriazolate","","- C12 H20 N4 -","- C12 H20 N4 -","- C96 H160 N32 -","8","0.5","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0575","0.0555","","","0.1473","0.1493","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511447","22.211","","14.296","","7.102","","90","","90","","90","","2255.09","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","Ba3 (B P3 O12)","","- B Ba3 O12 P3 -","- B Ba3 O12 P3 -","- B8 Ba24 O96 P24 -","8","0.5","","Goezel, G.; Eisenmann, B.; Kizilyalli, M.; Kniep, R.; Roehr, C.; Asbrand, M.","Borophosphate - eine vernachlaessigte Verbindungsklasse: Die Kristallstrukturen von M(II) (B P O5) (M(II)= Ca, Sr) und Ba3 (B P3 O12)","Angewandte Chemie (German Edition)","1994","106","","791","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514834","13.9562","0.0009","23.5904","0.0015","23.5858","0.0015","90","","90","","90","","7765.2","0.9","123","2","123","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C18.87 H19.16 N2 O2 Zn -","- C18.867 H19.156 N2 O2 Zn -","- C301.872 H306.496 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.088","0.0734","","","0.192","0.2058","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514835","13.9249","0.0012","23.653","0.002","23.637","0.002","90","","90","","90","","7785.2","1.1","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 N2 O2 Zn -","- C12 H10 N2 O2 Zn -","- C192 H160 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.0675","0.0538","","","0.1381","0.1505","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1526589","13.546","","13.546","","13.557","","90","","90","","90","","2487.63","","","","","","","","","","","","","6","I b c a","-I 2b 2c","73","","Li1.29 Na0.518 (Al1.84 Si4.16 O12) (H2 O)2","","- Al1.84 H4 Li1.29 Na0.518 O14 Si4.16 -","- Al1.84 Li1.29 Na0.518 O14 Si4.16 -","- Al14.72 Li10.32 Na4.144 O112 Si33.28 -","8","0.5","","Seryotkin, Yu.V.; Bakakin, V.V.; Bazhan, I.S.","Crystal structure of lithium-sodium (Li0.7 Na0.3)-analcime","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","607","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530400","14.205","","23.7219","","38.243","","90","","90","","90","","12886.7","","","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","Nb3 Se10 Br2","","- Br2 Nb3 Se10 -","- Br1.995 Nb3 Se10.005 -","- Br63.84 Nb96 Se320.16 -","32","2","","Meerschaut, A.; Grenouilleau, P.; Guemas, L.; Rouxel, J.","Characterization of a mixed-chains one-dimensional compound","Journal of Solid State Chemistry","1987","70","","36","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","155498","2020-10-21","18:00:00",""
"1535987","4.915","","9.731","","14.145","","90","","90","","90","","676.525","","","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","Li4 (Ta N3)","","- Li4 N3 Ta -","- Li4 N3 Ta -","- Li32 N24 Ta8 -","8","0.5","","Niewa, R.; Zherebtsov, D.A.; Borrmann, H.; Kniep, R.","Preparation and crystal structure of Li4 (Ta N3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2505","2508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541106","13.72","","13.715","","13.708","","90","","90","","90","","2579.43","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","Na Al (Si2 O6) (H2 O)","","- Al0.9999 Na O6 Si1.9998 -","- Al0.9999 Na O6 Si1.9998 -","- Al15.9984 Na16 O96 Si31.9968 -","16","1","","Pechar, F.","An x-ray diffraction refinement of the crystal structure of natural orthorhombic analcime ((Na Al Si2 O6) (H2 O))","Zeolites","1988","8","","247","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1559294","17.9121","0.0006","22.9333","0.0008","22.1479","0.0011","90","","90","","90","","9098","0.6","123","","123","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C44 H32 F12 N4 P2 -","- C44 H32 F12 N4 P2 -","- C352 H256 F96 N32 P16 -","8","0.5","","Kodama, Takuya; Kubo, Maiko; Shinji, Wataru; Ohkubo, Kei; Tobisu, Mamoru","Phenylene-bridged bis(benzimidazolium) (BBIm2+): a dicationic organic photoredox catalyst","Chemical Science","2020","","","","","10.1039/D0SC03958F","","x-ray","0.71073","MoKα","","0.1396","0.1005","","","0.246","0.2714","","","","","","1.0321","","","","has coordinates","258241","2020-10-21","18:00:00",""
"1560699","19.6025","0.001","23.5274","0.0012","25.9223","0.0013","90","","90","","90","","11955.3","1.1","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H19 N3 Ni O6 -","- C29 H19 N3 Ni O6 -","- C464 H304 N48 Ni16 O96 -","16","1","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.0473","0.035","","","0.1076","0.1132","","","","","","1.053","","","","has coordinates","262268","2021-02-26","11:10:34",""
"1563758","19.9782","0.0004","29.8827","0.0005","37.7594","0.0008","90","","90","","90","","22542.5","0.8","100.02","0.13","100.02","0.13","","","","","","","","6","I b c a","-I 2b 2c","73","dinickel(II) helicate of ditopic 4-imidazole-triazole ligand","nickel(II) helicate of 1,3-Bis(5-(1H-imidazol-4-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)benzene","","- C80 H96 B4 F16 N34 Ni2 -","- C80 H96 B4 F16 N34 Ni2 -","- C640 H768 B32 F128 N272 Ni16 -","8","0.5","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.0772","0.0679","","","0.2062","0.2175","","","","","","1.108","","","","has coordinates","266758","2021-06-29","01:34:32",""
"2004759","12.007","0.003","18.708","0.005","31.213","0.01","90","","90","","90","","7011","3","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","tris(4,4'-bipyrimidine)ruthenium(II) dihexafluorophosphate monoacetone","","- C27 H24 F12 N12 O P2 Ru -","- C27 H24 F12 N12 O P2 Ru -","- C216 H192 F96 N96 O8 P16 Ru8 -","8","0.5","JZ1090","Breu, J.; Belser, P.; Yersin, H.","Tris(4,4'-bipyrimidine)ruthenium(II) Bis(hexafluorophosphate) Acetone Solvate","Acta Crystallographica Section C","1996","52","4","858","861","10.1107/S0108270195014156","","","0.71069","MoKα","","0.0497","0.0387","","0.118","0.1109","","","","0.981","1.056","1.056","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011647","21.763","0.002","22.955","0.002","30.767","0.002","90","","90","","90","","15370","2","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C98 H83 Ag B N P4 -","- C98 H83 Ag B N P4 -","- C784 H664 Ag8 B8 N8 P32 -","8","0.5","QA0442","Ellis, Dianne D.; Spek, Anthony L.","Tetrakis(triphenylphosphine)silver(I) tetraphenylborate acetonitrile solvate","Acta Crystallographica Section C","2000","56","12","e547","e548","10.1107/S0108270100015079","","","0.71073","MoKα","","0.128","0.058","","","","0.14","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017049","14.9247","0.0007","19.0706","0.0009","20.8432","0.001","90","","90","","90","","5932.5","0.5","100","2","100","2","","","","","","","","6","I b c a","-I 2b 2c","73","","<i>cis</i>-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9- yl)propyl]amine-κP}platinum(II)","","- C26 H52 Cl2 N2 P2 Pt -","- C26 H52 Cl2 N2 P2 Pt -","- C208 H416 Cl16 N16 P16 Pt8 -","8","0.5","GG3190","Bungu, Peter N.; Otto, Stefanus","<i>cis</i>-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9-yl)propyl]amine-κ<i>P</i>}platinum(II)","Acta Crystallographica Section C","2009","65","4","m152","m155","10.1107/S0108270109005162","","","0.71073","MoKα","","0.0568","0.029","","","0.0606","0.0725","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019682","14.7042","0.0004","14.0074","0.0004","37.95","0.0009","90","","90","","90","","7816.5","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","catena-poly[bis[μ~3~-(2-methylbenzimidazol-1-yl)acetato]cadmium(II)]","","- C20 H18 Cd N4 O4 -","- C20 H18 Cd N4 O4 -","- C320 H288 Cd16 N64 O64 -","16","1","WQ3072","Li, Qiang; Wang, Hui-Ting; Ye, Qiong","One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands","Acta Crystallographica Section C","2014","70","10","992","997","10.1107/S2053229614020853","","","0.71073","MoKα","","0.0388","0.0296","","","0.0649","0.0678","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2022084","17.1976","0.001","16.7629","0.0009","16.3162","0.001","90","","90","","90","","4703.7","0.5","295","","295","","","","","","","","","5","I b c a","-I 2b 2c","73","","Poly[[μ~2~-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]cobalt(II)]","","- C23 H20 Co N4 O5 -","- C23 H20 Co N4 O5 -","- C184 H160 Co8 N32 O40 -","8","0.5","ZO3003","Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue","3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004970","","x-ray","0.71073","MoKα","","0.0404","0.0316","","","0.0921","0.0964","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","250919","2020-10-21","18:00:00",""
"2023002","6.9527","0.0002","19.7112","0.0006","12.2466","0.0003","90","","90","","90","","1678.35","0.08","200","0.1","200","0.1","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium gadolinium(III) phosphate(V) molybdate(VI)","","- Gd K2 Mo O8 P -","- Gd K2 Mo O8 P -","- Gd8 K16 Mo8 O64 P8 -","8","0.5","OI2002","Zozulia, Valeriia; Terebilenko, Kateryna; Voinalovych, Artem; Potaskalov, Vadim; Slobodyanik, Mykola","Crystal structure of a layered phosphate molybdate K<sub>2</sub>Gd(PO<sub>4</sub>)(MoO<sub>4</sub>).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","117","119","10.1107/S2056989023011106","","x-ray","0.71073","MoKα","","0.0191","0.017","","","0.0443","0.0452","","","","","","1.132","","","","has coordinates,has Fobs","290333","2024-03-05","20:43:29",""
"2106745","10.601","","11.112","","19.661","","90","","90","","90","","2316.03","","","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- Bi P S4 -","- Bi P S4 -","- Bi16 P16 S64 -","16","1","","Zimmermann, H.; Nitsche, R.; Carpentier, C.D.","The crystal structure of bismuth thiophosphate Bi P S4","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2003","2006","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2203989","16.287","0.007","17.201","0.009","34.07","0.016","90","","90","","90","","9545","8","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C40 H32 Cd2 N8 O12 V4 -","- C40 H32 Cd2 N8 O12 V4 -","- C320 H256 Cd16 N64 O96 V32 -","8","0.5","CF6361","Xian-Zhong Sun; Bao-Yu Wang; Ling-Yun Zhong","μ-Tetravanadato-bis[bis(2,2'-bipyridine)cadmium(II)]","Acta Crystallographica Section E","2004","60","8","m1100","m1102","10.1107/S160053680401623X","","","0.71073","MoKα","","0.1321","0.0705","","","0.1734","0.21","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204393","7.128","0.003","13.46","0.003","19.731","0.005","90","","90","","90","","1893.1","0.8","293","2","293","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C8 H8 N2 O7 -","- C8 H8 N2 O7 -","- C64 H64 N16 O56 -","8","0.5","SU6140","Sun, Yu-Xi; Nie, Yi","Ammonium 2,6-dicarboxyl-4-nitrophenol","Acta Crystallographica, Section E","2004","60","10","m1742","m1744","10.1107/S1600536804022135","","","0.71073","MoKα","","0.0636","0.0587","","","0.1909","0.197","","","","","","1.119","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204596","16.6732","0.0018","16.674","0.002","39.267","0.008","90","","90","","90","","10917","3","293","2","293","2","","","","","","","","3","I b c a","-I 2b 2c","73","","1,2-Bis(3,5-dimethylpyrazol-1-yl)-anti-[2.2]paracyclonaphthane","","- C34 H32 N4 -","- C34 H32 N4 -","- C544 H512 N64 -","16","1","YA6218","Jun-Wen Wang; Hai-Bin Song; Feng-Bo Xu; Qing-Shan Li; Zheng-Zhi Zhang","1,2-Bis(3,5-dimethylpyrazol-1-yl)-<i>anti</i>-[2.2]paracyclonaphthane","Acta Crystallographica Section E","2004","60","11","o2047","o2049","10.1107/S1600536804025619","","","0.71073","MoKα","","0.107","0.05","","","0.114","0.145","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205402","16.0504","0.001","16.4302","0.001","26.5331","0.0016","90","","90","","90","","6997.1","0.7","130","2","130","2","","","","","","","","5","I b c a","-I 2b 2c","73","dichlorobis[4-(dimethylamino)phenyl]tellurium","dichlorobis[4-(dimethylamino)phenyl]tellurium","","- C16 H20 Cl2 N2 Te -","- C16 H20 Cl2 N2 Te -","- C256 H320 Cl32 N32 Te16 -","16","1","BR6185","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra","An orthorhombic polymorph of dichlorobis[4-(dimethylamino)phenyl]tellurium","Acta Crystallographica Section E","2005","61","4","o986","o987","10.1107/S1600536805007336","","","0.71073","MoKα","","0.024","0.0216","","","0.0554","0.0568","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206078","13.7823","0.0013","17.5908","0.0017","18.1368","0.0018","90","","90","","90","","4397.1","0.7","223","2","223","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Diazidobis(1,7-phenanthroline)zinc(II)","","- C24 H16 N10 Zn -","- C24 H16 N10 Zn -","- C192 H128 N80 Zn8 -","8","0.5","SU6194","Sun, Bai-Wang; Du Lin","Diazidobis(1,7-phenanthroline)zinc(II)","Acta Crystallographica Section E","2005","61","6","m1099","m1100","10.1107/S1600536805014108","","","0.71073","MoKα","","0.0656","0.0446","","","0.1103","0.1227","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207386","13.1962","0.0019","15.049","0.002","18.124","0.004","90","","90","","90","","3599.2","1.1","294","2","294","2","","","","","","","","5","I b c a","-I 2b 2c","73","","2,2'-[(p-Phenylenedimethylene)dithio]-bis- (1-methyl-1H-imidazol)","","- C16 H20 N4 O S2 -","- C16 H20 N4 O S2 -","- C128 H160 N32 O8 S16 -","8","0.5","WN6379","Ya-Jie Xie","1,1'-Dimethyl-2,2'-[<i>p</i>-phenylenebis(methylenethio)]di-1<i>H</i>-imidazole monohydrate","Acta Crystallographica Section E","2005","61","11","o3538","o3539","10.1107/S1600536805030412","","","0.71073","MoKα","","0.061","0.0359","","","0.0891","0.1096","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210404","19.7253","0.0012","12.4764","0.0008","7.0284","0.0002","90","","90","","90","","1729.69","0.16","293","2","","","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium bismuth phosphate tungstate","","- Bi K2 O8 P W -","- Bi K2 O8 P W -","- Bi8 K16 O64 P8 W8 -","8","0.5","WM2034","Igor V. Zatovsky; Katherina V. Terebilenko; Nikolay S. Slobodyanik; Vyacheslav N. Baumer; Oleg V. Shishkin","K~2~Bi(PO~4~)(WO~4~) with a layered anionic substructure","Acta Crystallographica Section E","2006","62","9","i193","i195","10.1107/S1600536806033265","","","0.71073","MoKα","","","0.0346","","","","0.0936","","","","","","1.184","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213016","15.4932","0.0012","19.406","0.002","27.424","0.002","90","","90","","90","","8245.3","1.2","292","2","292","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Ethyl 6-methyl-2-(3-nitrophenoxy)-4-oxo-3-phenyl-3,4-dihydrofuro[2,3-d]pyrimidine- 5-carboxylate","","- C22 H17 N3 O7 -","- C22 H17 N3 O7 -","- C352 H272 N48 O112 -","16","1","SJ2243","Yang-Gen Hu; Gui-Hua Li; Ming-Hua Zhou","Ethyl 6-methyl-2-(3-nitrophenoxy)-4-oxo-3-phenyl-3,4-dihydrofuro[2,3-<i>d</i>]pyrimidine-5-carboxylate","Acta Crystallographica Section E","2007","63","4","o1836","o1838","10.1107/S1600536807011658","","","0.71073","MoKα","","0.0936","0.0677","","","0.1629","0.1784","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220020","6.882","0.001","12.1485","0.0018","19.695","0.003","90","","90","","90","","1646.6","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium holmium(III) phosphate(V) tungstate(VI)","","- Ho K2 O8 P W -","- Ho K2 O8 P W -","- Ho8 K16 O64 P8 W8 -","8","0.5","WM2196","Terebilenko, Katherina V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","K~2~Ho(PO~4~)(WO~4~)","Acta Crystallographica Section E","2008","64","11","i75","","10.1107/S160053680803287X","","","0.71073","MoKα","","","0.0289","","","","0.0709","","","","","","1.15","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222979","21.3144","0.001","12.6352","0.0005","7.1412","0.0003","90","","90","","90","","1923.21","0.14","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","Dicaesium bismuth(III) phosphate(V) tungstate(VI)","","- Bi Cs2 O8 P W -","- Bi Cs2 O8 P W -","- Bi8 Cs16 O64 P8 W8 -","8","0.5","BR2113","Terebilenko, Kateryna V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","Cs~2~Bi(PO~4~)(WO~4~)","Acta Crystallographica Section E","2009","65","9","i67","","10.1107/S160053680903147X","","","0.71073","MoKα","","0.0644","0.0523","","","","0.1149","","","","","","1.21","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224051","12.345","0.009","7.004","0.005","19.733","0.012","90","","90","","90","","1706","2","298","2","298","2","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium samarium(III) molybdate(VI) phosphate(V)","","- K2 Mo O8 P Sm -","- K2 Mo O8 P Sm -","- K16 Mo8 O64 P8 Sm8 -","8","0.5","WM2263","Zhao, Dan; Li, Feifei; Cheng, Wendan; Zhang, Hao","Dipotassium samarium(III) molybdate(VI) phosphate(V), K~2~Sm(MoO~4~)(PO~4~)","Acta Crystallographica Section E","2009","65","11","i78","","10.1107/S1600536809041622","","","0.71073","MoKα","","0.0203","0.0143","","","0.0463","0.0785","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2226969","17.8679","0.001","18.3617","0.001","20.5162","0.0011","90","","90","","90","","6731.1","0.6","100","2","100","2","","","","","","","","5","I b c a","-I 2b 2c","73","","(Quinoline-2-carboxylato-κ<i>O</i>)(quinoline-2-carboxylic acid-κ<i>O</i>)bis(quinoline-2-carboxylic acid-κ^2^<i>N</i>,<i>O</i>)potassium","","- C40 H27 K N4 O8 -","- C40 H27 K N4 O8 -","- C320 H216 K8 N32 O64 -","8","0.5","JH2182","Ng, Seik Weng","(Quinoline-2-carboxylato-κ<i>O</i>)(quinoline-2-carboxylic acid-κ<i>O</i>)bis(quinoline-2-carboxylic acid-κ^2^<i>N</i>,<i>O</i>)potassium","Acta Crystallographica Section E","2010","66","8","m948","","10.1107/S1600536810027510","","","0.71073","MoKα","","0.0514","0.035","","","0.0916","0.1023","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228140","14.1747","0.0003","25.1439","0.0004","17.4381","0.0002","90","","90","","90","","6215.07","0.18","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","Ethyl 3-[2-(<i>p</i>-tolylcarbamothioyl)hydrazinylidene]butanoate","","- C14 H19 N3 O2 S -","- C14 H19 N3 O2 S -","- C224 H304 N48 O32 S16 -","16","1","XU5056","Zhang, Yan-Ling; Hou, Xu-Feng; Zhang, Fu-Juan; Yang, Feng-Ling","Ethyl 3-[2-(<i>p</i>-tolylcarbamothioyl)hydrazinylidene]butanoate","Acta Crystallographica Section E","2010","66","11","o2971","","10.1107/S160053681004290X","","","1.54184","CuKα","","0.0634","0.0565","","","0.1646","0.1747","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2230193","14.9151","0.0004","22.5593","0.0005","17.1642","0.0003","90","","90","","90","","5775.3","0.2","291","2","291","2","","","","","","","","4","I b c a","-I 2b 2c","73","","3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C224 H304 N48 S16 -","16","1","XU5197","Zhang, Yan-Ling; Zhang, Xiao-Wei; Zhang, Fu-Juan","3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea","Acta Crystallographica Section E","2011","67","5","o1268","","10.1107/S1600536811015510","","","1.54184","CuKα","","0.0658","0.0526","","","0.1476","0.1616","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230957","7.151","0.0006","19.8082","0.00018","13.5061","0.00012","90","","90","","90","","1913.12","0.16","298","2","298","2","","","","","","","","4","I b c a","-I 2b 2c","73","Oxonium picrate","Oxonium 2,4,6-trinitrophenolate","","- C6 H5 N3 O8 -","- C6 H5 N3 O8 -","- C48 H40 N24 O64 -","8","0.5","ZL2375","Jin, Shou-Wen; Chen, Bing-Xia; Ge, Yu-Shuang; Yin, Hua-Bing; Fang, Yu-Ping","Oxonium picrate","Acta Crystallographica Section E","2011","67","7","o1694","","10.1107/S1600536811022574","","","0.71073","MoKα","","0.0585","0.0438","","","0.1213","0.14","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233009","10.6238","0.001","13.6271","0.0012","33.318","0.003","90","","90","","90","","4823.5","0.8","298","2","298","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Hexaaquacobalt(II) bis(5-acetyl-2-hydroxybenzoate) dihydrate","","- C18 H30 Co O16 -","- C18 H30 Co O16 -","- C144 H240 Co8 O128 -","8","0.5","XU5375","Han, Li-Jun; Yang, Shu-Ping; Fu, Lin-Lin; Gao, Hai-Lei","Hexaaquacobalt(II) bis(5-acetyl-2-hydroxybenzoate) dihydrate","Acta Crystallographica Section E","2011","67","12","m1733","","10.1107/S1600536811046678","","","0.71073","MoKα","","0.0475","0.0383","","","0.1039","0.1098","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234202","17.921","0.007","18.427","0.007","27.114","0.01","90","","90","","90","","8954","6","296","2","296","2","","","","","","","","6","I b c a","-I 2b 2c","73","","7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C25 H25 F N4 O S -","- C25 H25 F N4 O S -","- C400 H400 F16 N64 O16 S16 -","16","1","GW2115","Hu, Hai-Jun; Chen, Hong","7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1097","","10.1107/S1600536812010318","","","0.71073","MoKα","","0.0841","0.0693","","","0.181","0.1936","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237706","8.9643","0.0011","30.539","0.006","8.9625","0.0012","90","","90","","90","","2453.6","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Poly[μ-aqua-aqua-μ~4~-naphthalene-1,8-dicarboxylato-barium]","","- C12 H8 Ba O5 -","- C12 H8 Ba O5 -","- C96 H64 Ba8 O40 -","8","0.5","SU2556","Zhao, Dan; Li, Fei Fei; Liang, Peng; Ren, Jun-Ran; Qiu, Shen","Poly[μ-aqua-aqua-μ~4~-naphthalene-1,8-dicarboxylato-barium]: a layer structure","Acta Crystallographica Section E","2013","69","4","m219","m220","10.1107/S1600536813006259","","","0.71073","MoKα","","0.0238","0.0193","","","0.0419","0.0433","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240516","13.9848","0.0004","14.6221","0.0004","22.2177","0.0006","90","","90","","90","","4543.2","0.2","100","2","100","2","","","","","","","","7","I b c a","-I 2b 2c","73","","{2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)cyclohexane-<i>trans</i>-1,2-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate","","- C22 H26 Co F6 N4 O4 P -","- C22 H26 Co F6 N4 O4 P -","- C176 H208 Co8 F48 N32 O32 P8 -","8","0.5","ZL2616","McLauchlan, Craig C.; Kissel, Daniel S.; Herlinger, Albert W.","Crystal structure of {2,2'-[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)cyclohexane-<i>trans</i>-1,2-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate","Acta Crystallographica Section E","2015","71","4","380","384","10.1107/S2056989015005149","","","0.71073","MoKα","","0.0287","0.027","","","0.077","0.0786","","","","","","1.117","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241737","10.9239","0.0003","25.7282","0.0007","33.2065","0.0008","90","","90","","90","","9332.8","0.4","220","2","220","2","","","","","","","","5","I b c a","-I 2b 2c","73","","Bis(3-iodophenoxy)(phthalocyanine)silicon","","- C52 H42 N8 O2 Si -","- C52 H42 N8 O2 Si -","- C416 H336 N64 O16 Si8 -","8","0.5","","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","1.54178","CuKα","","0.084","0.0662","","","0.1968","0.2084","","","","","","1.076","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2310411","11.74","","17.03","","11.6","","90","","90","","90","","2319.21","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","Na2 H2 Si O4 (H2 O)8","","- H18 Na2 O12 Si -","- Na2 O12 Si -","- Na16 O96 Si8 -","8","0.5","","Jamieson, P.B.; Dent Glasser, L.S.","Sodium Silicate Hydrates. II. The Crystal Structure of Na2 O (Si O2) (H2 O)9","Acta Crystallographica (1,1948-23,1967)","1966","20","","688","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001943","32.092","0.018","34.184","","34.184","0.019","90","","90","","90","","37501","3","193","2","193","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C153 H169 In6 N27 O63 -","- C108 H60 In6 N12 O48 -","- C864 H480 In48 N96 O384 -","8","0.5","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","9","2943","","10.1021/cm500700z","","","0.71073","MoKα","","0.129","0.0939","","","0.2569","0.2762","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4025495","6.79","0.014","20.97","0.05","35.56","0.09","90","","90","","90","","5063","2","173.1","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- C32 H24 N2 -","- C32 H26 N2 O -","- C256 H208 N16 O8 -","8","0.5","","Masahiro Yoshimura; Toshimitsu Muraoka; Hiroshi Nakatsuka; Hanmin Huang; Masato Kitamura","Synthesis of 3,3'-Diaryl-Substituted 2,2'-Diamino-1,1'-binaphthyl and Its Derivatives","Journal of Organic Chemistry","2010","75","","4315","4318","10.1021/jo100638j","","","0.7107","MoKα","","","0.079","","","","0.062","","","","","","5.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4032432","10.4901","0.0013","10.6393","0.0012","26.13","0.004","90","","90","","90","","2916.3","0.7","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","2-(4-Cyano-2,3,5,6-tetrafluorophenyl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazol-3-oxide-1-oxyle","","- C14 H12 F4 N3 O2 -","- C14 H12 F4 N3 O2 -","- C112 H96 F32 N24 O16 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1087","0.0654","","","0.1415","0.1699","","","","","","1.09","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032433","10.3528","0.0003","10.8047","0.0003","26.1688","0.0006","90","","90","","90","","2927.21","0.14","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","4-(4,4,5,5-Tetramethyl-1-oxyl-4,5-dihydro-1H-imidazol-2-yl)- 2,3,5,6-tetrafluorobenzonitrile","","- C14 H12 F4 N3 O -","- C14 H12 F4 N3 O -","- C112 H96 F32 N24 O8 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.0773","0.0565","","","0.1364","0.1687","","","","","","1.032","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4068983","16.22","0.004","20.048","0.007","21.707","0.006","90","","90","","90","","7059","4","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C22 H62 B2 O P2 Si4 Sn -","- C18 H52 B2 P2 Si4 Sn -","- C144 H416 B16 P16 Si32 Sn8 -","8","0.5","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Seven-Membered Cyclic Dialkylstannylene and -Plumbylene Compounds Stabilized by Agostic-type B−H···E Interactions [E = Sn, Pb]","Organometallics","2009","28","7","2211","","10.1021/om801189h","","","0.71073","MoKα","","0.0863","0.0404","","","0.0904","0.1015","","","","","","1.029","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4071294","17.3563","0.0004","22.1987","0.0006","24.0438","0.0006","90","","90","","90","","9263.8","0.4","223","2","223","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C46 H71 B Fe O2 P4 -","- C46 H71 B Fe O2 P4 -","- C368 H568 B8 Fe8 O16 P32 -","8","0.5","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.0771","0.0567","","","0.1325","0.1545","","","","","","1.088","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071481","22.42","0.003","22.883","0.003","41.069","0.006","90","","90","","90","","21070","5","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C52 H70 N4 Na2 Zn2 -","- C52 H70 N4 Na2 Zn2 -","- C832 H1120 N64 Na32 Zn32 -","16","1","","Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca","Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†","Organometallics","2008","27","11","2654","","10.1021/om8001813","","","0.71073","MoKα","","0.0935","0.0533","","","0.1254","0.1654","","","","","","1.082","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4072326","8.7156","0.0012","29.666","0.005","32.126","0.005","90","","90","","90","","8306","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C36 H60 B4 Cl2 N4 Y2 -","- C36 H60 B4 Cl2 N4 Y2 -","- C288 H480 B32 Cl16 N32 Y16 -","8","0.5","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement","Organometallics","2008","27","23","6307","","10.1021/om800770a","","","0.71073","MoKα","","0.1498","0.0431","","","0.0821","0.0997","","","","","","0.761","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4083469","18.6165","0.0003","27.4048","0.0004","28.0783","0.0005","90","","90","","90","","14325","0.4","200","2","200","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C66 H90 B2 F8 N6 O6 Pt2 -","- C66 H90 B2 F8 N6 O6 Pt2 -","- C528 H720 B16 F64 N48 O48 Pt16 -","8","0.5","","Au, Richard H. W.; Fraser, Christopher S. A.; Eisler, Dana J.; Jennings, Michael C.; Puddephatt, Richard J.","Binuclear Organoplatinum(IV) Complexes with Bridging Xylenediyl Groups: Formation of Supramolecular Polymers through Hydrogen Bonding","Organometallics","2009","28","6","1719","","10.1021/om800889j","","","0.71073","MoKα","","0.0714","0.0355","","","0.0839","0.0928","","","","","","0.931","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4100571","26.3539","0.0008","34.515","0.001","73.258","0.002","90","","90","","90","","66636","4","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","COV-2CdS-TMDPy","","","- C289 H244 Cd32 N2 P2 S52 -","- C249 Cd32 N2 P2 S52 -","- C1992 Cd256 N16 P16 S416 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4106688","20.8395","0.0007","23.0194","0.0007","24.8572","0.0008","90","","90","","90","","11924.3","0.7","173","2","173","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C40 H88 N4 O19 V6 -","- C40 H88 N4 O19 V6 -","- C320 H704 N32 O152 V48 -","8","0.5","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.0599","0.0418","","","0.1056","0.1137","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4117989","14.606","0.004","18.18","0.005","44.321","0.012","90","","90","","90","","11769","6","123","2","123","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C488 H360 B8 Cu8 F192 N24 -","8","0.5","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.1341","0.0609","","","0.1449","0.1997","","","","","","1.148","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4122707","31.3443","0.001","32.3864","0.0011","92.098","0.003","90","","90","","90","","93491","5","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- Ce7 H434 K Mo100 O518 -","- Ce7 K Mo100 O477.6 -","- Ce56 K8 Mo800 O3820.8 -","8","0.5","","Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.","Journal of the American Chemical Society","2014","136","40","14114","","10.1021/ja5062483","","","0.71073","MoKα","","0.084","0.058","","","0.147","0.19","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4124637","20.23","","5.75","","5.95","","90","","90","","90","","692.119","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","K Ag (C O3)","","- C Ag K O3 -","- C Ag K O3 -","- C8 Ag8 K8 O24 -","8","0.5","","Donohue, J.; Helmholz, L.","The crystal structure of potassium silver carbonate, K Ag C O3","Journal of the American Chemical Society","1944","66","","295","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4127399","17.635","0.0015","22.345","0.002","22.944","0.002","90","","90","","90","","9041.2","1.4","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C21 H15 N2 O5 Zn -","- C21 H15 N2 O5 Zn -","- C336 H240 N32 O80 Zn16 -","16","1","","Rouhani, Farzaneh; Rafizadeh-Masuleh, Fatemeh; Morsali, Ali","Highly Electroconductive Metal-Organic Framework: Tunable by Metal Ion Sorption Quantity.","Journal of the American Chemical Society","2019","141","28","11173","11182","10.1021/jacs.9b04173","","","0.71073","MoKα","","0.0719","0.0448","","","0.108","0.1323","","","","","","1.103","","","","has coordinates","220675","2020-10-21","18:00:00",""
"4130378","11.9443","0.0005","19.5839","0.0005","26.1625","0.0009","90","","90","","90","","6119.8","0.4","253","0.1","253","0.1","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C17 H28 F8 I2 N2 O6 S -","- C17 H28 F8 I2 N2 O6 S -","- C136 H224 F64 I16 N16 O48 S8 -","8","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.1376","0.0939","","","0.1931","0.2181","","","","","","1.112","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4300172","16.122","0.001","17.151","0.001","37.508","0.002","90","","90","","90","","10371.3","1","213","2","213","2","","","","","","","synthesis","6","I b c a","-I 2b 2c","73","","","","- C46 H44 Cl7 Cr3 N12 O -","- C46 H32 Cl7 Cr3 N12 O -","- C368 H256 Cl56 Cr24 N96 O8 -","8","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual","Linear Trichromium Complexes with Direct Cr to Cr Contacts. 2. Compounds with Cr3(dipyridylamide)43+ Cores","Inorganic Chemistry","2000","39","","752","756","10.1021/ic991022t","","","0.71073","MoKα","","0.0752","0.064","","0.1848","0.1656","","","","1.069","1.064","1.064","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4300400","13.5814","0.0017","14.184","0.003","27.412","0.003","90","","90","","90","","5280.5","1.4","148","2","148","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C18 H26 Cl2 Hg N2 O8 S4 -","- C18 H26 Cl2 Hg N2 O8 S4 -","- C144 H208 Cl16 Hg8 N16 O64 S32 -","8","0.5","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4304925","9.223","0.0011","20.733","0.002","29.734","0.003","90","","90","","90","","5685.7","1","213","2","213","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C6 H14 Ga N3 O12.5 P -","- C6 H13 Ga N3 O12.5 P -","- C96 H208 Ga16 N48 O200 P16 -","16","1","","Christian R. Samanamu; Marilyn M. Olmstead; Jean-Luc Montchamp; Anne F. Richards","Convenient Synthesis of Aluminum and Gallium Phosphonate Cages","Inorganic Chemistry","2008","47","","3879","3887","10.1021/ic800023d","","","0.71073","MoKα","","0.1381","0.059","","","0.1451","0.2071","","","","","","1.1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308901","15.1372","0.001","15.2949","0.001","16.401","0.0011","90","","90","","90","","3797.2","0.4","293","2","293","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- Cs2 O8 Si2 U -","- Cs2 O8 Si2 U -","- Cs32 O128 Si32 U16 -","16","1","","Chih-Shan Chen; Ray-Kuang Chiang; Hsien-Ming Kao; Kwang-Hwa Lii","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure, and Solid-State NMR Spectroscopy of Cs2(UO2)(Si2O6) and Variable-Temperature Powder X-ray Diffraction Study of the Hydrate Phase Cs2(UO2)(Si2O6).0.5H2O","Inorganic Chemistry","2005","44","","3914","3918","10.1021/ic0500199","","","0.71073","MoKα","","0.0417","0.0355","","","0.081","0.0829","","","","","","1.285","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4311385","14.7025","0.0002","16.2288","0.0002","35.662","0.0005","90","","90","","90","","8509.1","0.2","150","1","150","1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C48 H31 Ag2 Cl2 N5 O8 -","- C48 H31 Ag2 Cl2 N5 O8 -","- C384 H248 Ag16 Cl16 N40 O64 -","8","0.5","","Chih-Chieh Wang; Cheng-Han Yang; Shih-Min Tseng; Sue-Yi Lin; Ti-Yu Wu; Ming-Ren Fuh; Gene-Hsiang Lee; Ken-Tsung Wong; Ruei-Tang Chen; Yi-Ming Cheng; Pi-Tai Chou","Structural Characterization and Luminescence Behavior of a Silver(I) 1D Polymeric Chain Constructed via a Bridge with Unusual 4,5-Diazospirobifluorene and Perchlorate","Inorganic Chemistry","2004","43","","4781","4783","10.1021/ic0351794","","","0.71073","MoKα","","0.1041","0.0714","","","0.1851","0.2118","","","","","","1.127","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4312746","6.949","0.003","38.09","0.02","33.12","0.01","90","","90","","90","","8766","7","93.2","","","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C12 H6 Br2.5 Cu0.75 O S11 -","- C12 H6 Br2.5 Cu0.75 O S11 -","- C192 H96 Br40 Cu12 O16 S176 -","16","1","","Takuya Matsumoto; Yohsuke Kamada; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Hiroyuki Nakazumi; Takashi Kawakami; Kizashi Yamaguchi; Motoo Shiro","One-Dimensional CuBr42- Ion Array and CuBr3- Ion Chain Included in the π Conducting Framework Composed of Bis(methylthio)tetrathiafulvalenothioquinone- -1,3-dithiocarbonatodithiolemethide Molecules","Inorganic Chemistry","2003","42","","8638","8645","10.1021/ic0300971","","","0.7107","MoKα","","","0.0629","","","","0.0928","","","","","","0.803","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317363","25.653","0.005","27.605","0.006","36.879","0.007","90","","90","","90","","26116","9","100","2","100","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C78 H158 Cl6 Cu8 N24 Ni O55 -","- C78 H144 Cl6 Cu8 N24 Ni O55 -","- C624 H1152 Cl48 Cu64 N192 Ni8 O440 -","8","0.5","","Marie-Claire Dul; Jesús Ferrando-Soria; Emilio Pardo; Rodrigue Lescouëzec; Yves Journaux; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Oscar Fabelo; Jorge Pasán; Catalina Ruiz-Pérez","Tuning the Spin Ground State in Heterononanuclear Nickel(II)-Copper(II) Cylinders with a Triangular Metallacyclophane Core","Inorganic Chemistry","2010","49","","11264","11266","10.1021/ic102037m","","x-ray","0.7513","synchrotron","","0.1252","0.1058","","","0.2749","0.2956","","","","","","1.056","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4318219","13.4535","0.0002","24.7872","0.0001","39.0511","0.0001","90","","90","","90","","13022.5","0.2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C51 H31 Cl2 O22 Os6 P4 -","- C51 H22 Cl2 O22 Os6 P4 -","- C408 H176 Cl16 O176 Os48 P32 -","8","0.5","","Siau-Gek Ang; Zhong; How-Ghee Ang","1,2,3,4-Tetraphenyl-1,2,3,4-tetraphospholane, a Highly Versatile Cyclocarbaphosphine Ligand: Reactions with Activated Triosmium Clusters and Characterization of the Products","Inorganic Chemistry","2002","41","","3791","3800","10.1021/ic025589c","","","0.71073","MoKα","","0.085","0.0458","","","0.0854","0.0986","","","","","","1.101","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4318956","8.2702","0.0009","8.3115","0.0009","20.607","0.002","90","","90","","90","","1416.5","0.3","233","2","233","2","","","","","","","","3","I b c a","-I 2b 2c","73","tetrafluoroiodate hexafluoroantimonate","","","- F10 I Sb -","- F10 I Sb -","- F80 I8 Sb8 -","8","0.5","","Ashwani Vij; Fook S. Tham; Vandana Vij; William W. Wilson; Karl O. Christe","Structures of the BrF4+ and IF4+ Cations","Inorganic Chemistry","2002","41","","6397","6403","10.1021/ic025900q","","","0.71073","MoKα","","0.0266","0.0241","","","0.0654","0.0679","","","","","","1.187","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4319597","13.251","0.003","13.951","0.003","20.374","0.004","90","","90","","90","","3766.4","1.4","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Br2 Cu N4 -","- C15 H32 Br2 Cu N4 -","- C120 H256 Br16 Cu8 N32 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0853","0.0435","","0.0893","0.0765","","","","1.127","1.203","1.203","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00",""
"4319599","12.693","0.003","13.619","0.003","20.725","0.004","90","","90","","90","","3582.6","1.3","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Cl2 N4 Ni -","- C15 H32 Cl2 N4 Ni -","- C120 H256 Cl16 N32 Ni8 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.1093","0.063","","0.11","0.0953","","","","1.131","1.211","1.211","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00",""
"4319600","13.13","0.003","13.859","0.003","20.645","0.004","90","","90","","90","","3756.7","1.4","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Br2 N4 Ni -","- C15 H32 Br2 N4 Ni -","- C120 H256 Br16 N32 Ni8 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.041","0.0297","","0.0738","0.068","","","","1.099","1.126","1.126","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00",""
"4319602","12.738","0.003","13.675","0.003","20.674","0.004","90","","90","","90","","3601.2","1.4","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Cl2 Co N4 -","- C15 H32 Cl2 Co N4 -","- C120 H256 Cl16 Co8 N32 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0439","0.0348","","0.0962","0.0896","","","","1.077","1.1","1.1","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00",""
"4320776","12.6452","0.001","15.361","0.003","42.412","0.005","90","","90","","90","","8238","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C34 H42 F12 Fe N10 P2 -","- C34 H42 F12 Fe N10 P2 -","- C272 H336 F96 Fe8 N80 P16 -","8","0.5","","P. Manikandan; K. Padmakumar; K. R. Justin Thomas; B. Varghese; P. T. Manoharan","Lattice-Dictated Conformers in Bis(pyrazolyl)pyridine-Based Iron(II) Complexes: Mössbauer, NMR, and Magnetic Studies","Inorganic Chemistry","2001","40","","6930","6939","10.1021/ic010655g","","","0.71073","MoKα","","0.095","0.0563","","","0.1559","0.2033","","","","","","1.067","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4333740","17.3284","0.0009","26.815","0.0012","36.139","0.003","90","","90","","90","","16792.4","1.8","100","2","100","2","","","","","","","","7","I b c a","-I 2b 2c","73","LHL2783","","","- C90 H104 Cl4 N4 O P8 Ru2 -","- C90 H104 Cl4 N4 O P8 Ru2 -","- C720 H832 Cl32 N32 O8 P64 Ru16 -","8","0.5","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0316","0.0247","","","0.0588","0.0634","","","","","","1.045","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4335183","19.8229","0.0002","22.6568","0.0003","18.5048","0.0002","90","","90","","90","","8310.94","0.16","173","","173","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C38 H39 Br4 Fe2 N7 P2 -","- C38 H39 Br4 Fe2 N7 P2 -","- C304 H312 Br32 Fe16 N56 P16 -","8","0.5","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","1.54184","CuKα","","0.0636","0.0384","","","0.0908","0.1017","","","","","","0.949","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335408","8.041","0.0002","18.8488","0.0006","19.2235","0.0007","90","","90","","90","","2913.58","0.16","173","2","173","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C9 H20 P2 Se3 -","- C9 H20 P2 Se3 -","- C72 H160 P16 Se24 -","8","0.5","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0411","0.0324","","","0.0749","0.0782","","","","","","1.185","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4343074","12.1057","0.0002","22.9932","0.0004","27.3994","0.0006","90","","90","","90","","7626.6","0.2","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C40 H50 Fe N2 O4 U -","- C40 H50 Fe N2 O4 U -","- C320 H400 Fe8 N16 O32 U8 -","8","0.5","","Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.","Inorganic chemistry","2015","54","12","5774","5783","10.1021/acs.inorgchem.5b00467","","","0.71073","MoKα","","0.0827","0.038","","","0.0648","0.0767","","","","","","1.009","","","","has coordinates","140082","2020-10-21","18:00:00",""
"4346510","13.8975","0.0007","15.0872","0.0007","22.2418","0.001","90","","90","","90","","4663.5","0.4","100","2","100","2","","","","","","","synthesis as described","7","I b c a","-I 2b 2c","73","","","","- C22 H26 F6 Ga N4 O4 P -","- C22 H26 F6 Ga N4 O4 P -","- C176 H208 F48 Ga8 N32 O32 P8 -","8","0.5","","Florián, Jan; McLauchlan, Craig C.; Kissel, Daniel S.; Eichman, Chad C.; Herlinger, Albert W.","Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, H2bpcd: Cis/Trans Isomerization Equilibria.","Inorganic chemistry","2015","54","21","10361","10370","10.1021/acs.inorgchem.5b01586","","","0.71073","MoKα","","0.0279","0.0217","","","0.0566","0.0599","","","","","","1.028","","","","has coordinates","231816","2020-10-21","18:00:00",""
"4346824","7.2349","0.0005","23.7112","0.0015","30.5299","0.0019","90","","90","","90","","5237.3","0.6","298","2","298","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0415","0.0337","","","0.0779","0.0833","","","","","","1.06","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346825","7.2499","0.0006","23.7625","0.0017","30.735","0.002","90","","90","","90","","5294.9","0.7","263","2","263","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0352","0.0289","","","0.0621","0.0658","","","","","","1.05","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346826","7.2127","0.0006","23.7652","0.0018","30.732","0.002","90","","90","","90","","5267.8","0.7","213","2","213","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0304","0.0263","","","0.0692","0.0728","","","","","","0.997","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346827","7.1728","0.0005","23.7537","0.0017","30.701","0.002","90","","90","","90","","5230.9","0.6","163","2","163","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0283","0.0251","","","0.0646","0.0674","","","","","","1.053","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346828","7.162","0.0005","23.7651","0.0015","30.7049","0.0019","90","","90","","90","","5226.1","0.6","148","2","148","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0408","0.039","","","0.0803","0.0811","","","","","","1.323","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4349882","17.2385","0.0011","22.536","0.0014","23.4694","0.0015","90","","90","","90","","9117.6","1","153","2","153.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H44 N6 O6 Zn2 -","- C48 H44 N6 O6 Zn2 -","- C384 H352 N48 O48 Zn16 -","8","0.5","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0765","0.057","","","0.1411","0.1539","","","","","","1.059","","","","has coordinates","236921","2020-10-21","18:00:00",""
"4349885","16.688","0.0017","22.617","0.002","23.535","0.002","90","","90","","90","","8882.9","1.4","153","2","153.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46.5 H44 N6 O6 Zn2 -","- C46.5 H44 N6 O6 Zn2 -","- C372 H352 N48 O48 Zn16 -","8","0.5","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0903","0.0687","","","0.1719","0.1828","","","","","","1.139","","","","has coordinates,has disorder","236921","2020-10-21","18:00:00",""
"4501290","15.8577","0.0004","21.8722","0.0007","22.3681","0.0007","90","","90","","90","","7758.2","0.4","100","","100","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C36 H33 N8 O16.5 Zr -","- C36 H32 N8 O16.5 Zr -","- C288 H256 N64 O132 Zr8 -","8","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44–Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.0557","0.0422","","0.0724","0.0407","0.0366","","","","","","1.0717","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4501420","17.787","0.007","18.343","0.008","49.14","0.02","90","","90","","90","","16033","11","223","2","223","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C54 H86 Cl N24 O40 Rb -","- C54 H48 Cl N24 O26 Rb -","- C432 H384 Cl8 N192 O208 Rb8 -","8","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1929","0.1296","","","0.3751","0.4083","","","","","","1.311","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501611","14.5739","0.0011","20.8969","0.0015","32.497","0.003","90","","90","","90","","9896.9","1.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C44 H38 Cd2 N5 O13 -","- C44 H38 Cd2 N5 O13 -","- C352 H304 Cd16 N40 O104 -","8","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0402","0.0381","","","0.0963","0.0977","","","","","","1.181","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4503788","15.666","0.005","25.131","0.008","37.527","0.013","90","","90","","90","","14774","8","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C26 H28 Cu4 I4 N4 -","- C25.999 H27.078 Cu4 I4 N4 -","- C415.984 H433.248 Cu64 I64 N64 -","16","1","","Chen, Yang; Li, Hong-Xi; Liu, Dong; Liu, Lei-Lei; Li, Ni-Ya; Ye, Huan-Ying; Zhang, Yong; Lang, Jian-Ping","Solvent Effects on the Assembly of [Cu2I2]- or [Cu4I4]-Based Coordination Polymers: Isolation, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3810","","10.1021/cg8004568","","","0.71073","MoKα","","0.1299","0.0448","","","0.0554","0.0578","","","","","","1.005","","","","has coordinates,has disorder","179572","2020-10-21","18:00:00",""
"4505338","16.571","0.003","26.888","0.005","17.525","0.003","90","","90","","90","","7808","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C312 H368 Cl16 Mn8 N48 O16 -","- C39 H42 Cl2 Mn N6 O2 -","- C312 H336 Cl16 Mn8 N48 O16 -","8","0.5","","Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray","Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing","Crystal Growth & Design","2004","4","4","851","","10.1021/cg034238l","","","0.71073","MoKα","","0.2683","0.0723","","","0.096","0.1292","","","","","","0.856","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4506890","16.173","0.003","17.917","0.004","18.017","0.004","90","","90","","90","","5220.8","1.9","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H28 Co N4 O5 -","- C29 H30 Co N4 O5 -","- C232 H240 Co8 N32 O40 -","8","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.0542","0.052","","","0.1106","0.112","","","","","","1.252","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506891","17.834","0.004","18.075","0.004","16.151","0.003","90","","90","","90","","5206.3","1.9","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H30 N4 O5 Zn -","- C29 H30 N4 O5 Zn -","- C232 H240 N32 O40 Zn8 -","8","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.1039","0.0702","","","0.1577","0.1824","","","","","","1.147","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4509286","13.549","0.004","16.35","0.006","39.69","0.015","90","","90","","90","","8792","5","203","2","203","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H39 Co N6 O9 -","- C48 H33 Co N6 O9 -","- C384 H264 Co8 N48 O72 -","8","0.5","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.1182","0.0574","","","0.1566","0.174","","","","","","0.89","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509802","16.58","0.003","27.108","0.003","17.122","0.006","90","","90","","90","","7695","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cl2 Co N6 O2 -","- C39 H42 Cl2 Co N6 O2 -","- C312 H336 Cl16 Co8 N48 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1142","0.0763","","","0.2102","0.2401","","","","","","0.983","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509807","16.517","0.002","26.922","0.004","17.221","0.002","90","","90","","90","","7657.7","1.7","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cl2 Fe N6 O2 -","- C39 H42 Cl2 Fe0.99 N6 O2 -","- C312 H336 Cl16 Fe7.92 N48 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1883","0.0644","","","0.1285","0.1724","","","","","","0.965","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509811","16.516","0.004","26.779","0.006","17.705","0.003","90","","90","","90","","7831","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cd Cl2 N6 O2 -","- C39 H42 Cd Cl2 N6 O2 -","- C312 H336 Cd8 Cl16 N48 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.0998","0.0336","","","0.0819","0.0988","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509812","16.484","0.003","26.901","0.003","16.973","0.006","90","","90","","90","","7526","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cl2 N6 Ni O2 -","- C39 H42 Cl2 N6 Ni O2 -","- C312 H336 Cl16 N48 Ni8 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1833","0.1194","","","0.2836","0.3226","","","","","","1.032","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4512761","8.2621","0.0006","19.378","0.0015","21.87","0.02","90","","90","","90","","3501","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C11 H6 Cl4 N2 O5 U -","- C11 H6 Cl4 N2 O5 U -","- C88 H48 Cl32 N16 O40 U8 -","8","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0557","0.0445","","","0.1271","0.153","","","","","","1.183","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512762","8.3785","0.0003","19.437","0.0008","22.0629","0.001","90","","90","","90","","3593","0.3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C11 H6 Br4 N2 O5 U -","- C11 H6 Br4 N2 O5 U -","- C88 H48 Br32 N16 O40 U8 -","8","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0355","0.0285","","","0.0643","0.0682","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4515146","8.0663","0.0005","29.9873","0.0018","40.915","0.003","90","","90","","90","","9896.8","1.1","173","2","173","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C18.98 H15.23 Ag F3 N6 O2 S2 -","- C18.976 H15.232 Ag F3 N6 O2 S2 -","- C303.616 H243.712 Ag16 F48 N96 O32 S32 -","16","1","","Wang, Xin; Chang, Zhiduo; Jing, Xu; He, Cheng; Duan, Chunying","Double-Helical Ag-S Rod-Based Porous Coordination Polymers with Double Activation: σ-Active and π-Active Functions.","ACS omega","2019","4","6","10828","10833","10.1021/acsomega.9b00742","","","0.71073","MoKα","","0.1408","0.0989","","","0.2485","0.2718","","","","","","1.193","","","","has coordinates","220256","2020-10-21","18:00:00",""
"4517445","15.1979","0.0009","29.42","0.0018","32.182","0.002","90","","90","","90","","14389.3","1.5","100","2","100","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C53 H36 Cd2 N4 O16 S2 -","- C53 H36 Cd2 N4 O16 S2 -","- C424 H288 Cd16 N32 O128 S16 -","8","0.5","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Polar Sulfone-functionalised Oxygen-rich Metal Organic Frameworks for Highly Selective CO2 Capture and Sensitive Detection of Acetylacetone at ppb Level.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b22658","","","0.71073","MoKα","","0.0442","0.0363","","","0.1013","0.1082","","","","","","1.059","","","","has coordinates","248442","2020-10-21","18:00:00",""
"7004860","15.177","0.003","16.827","0.002","21.443","0.004","90","","90","","90","","5476.2","1.6","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","trans(N,N)-(pentane-2,4-dionato)bis((3-aminopropyl) dimethylphosphine)cobalt(iii) Bis(hexafluorophospate)","trans(N,N)-(pentane-2,4-dionato)bis((3-aminopropyl) dimethylphosphine)cobalt(III) Bis(hexafluorophospate)","","- C15 H35 Co F12 N2 O2 P4 -","- C15 H35 Co F12 N2 O2 P4 -","- C120 H280 Co8 F96 N16 O16 P32 -","8","0.5","","Suzuki, Takayoshi; Fujiiwara, Katsuhiro; Takagi, Hideo D.; Kashiwabara, Kazuo","Preparation and characterization of mixed-ligand cobalt(III) complexes containing (3-aminopropyl)dimethylphosphine (pdmp). Conformation of the six-membered pdmp chelate ring.","Dalton transactions (Cambridge, England : 2003)","2007","","3","308","319","10.1039/b612025c","","","0.71075","MoKα","","0.0471","0.0409","","","0.1244","0.1351","","","","","","1.103","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7005521","20.195","0.0003","23.2688","0.0003","24.9714","0.0003","90","","90","","90","","11734.4","0.3","200","","200","","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C72 H56 P4 Pt2 -","- C72 H56 P4 Pt2 -","- C576 H448 P32 Pt16 -","8","0.5","","Bennett, Martin A.; Bhargava, Suresh K.; Messelhäuser, Johannes; Privér, Steven H; Welling, Lee L.; Willis, Anthony C.","ortho-Metallated complexes of platinum(II) and diplatinum(I) containing the carbanions (2-diphenylphosphino)phenyl and (2-diphenylphosphino)-n-tolyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2007","","29","3158","3169","10.1039/b702808c","","","0.7107","MoKα","","0.0649","0.0398","","0.0619","","0.0534","","","2.034","","","1.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010120","14.971","0.008","42.24","0.04","25.32","0.03","90","","90","","90","","16012","3","120","2","493","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C29.19 H51.6 Cl4 Cu2 N8.6 O2.9 -","- C29.2 H51.6 Cl4 Cu2 N8.6 O2.9 -","- C467.2 H825.6 Cl64 Cu32 N137.6 O46.4 -","16","1","","Clifford, Thomas; Danby, Andrew M.; Lightfoot, Philip; Richens, David T.; Hay, Robert W.","Preparation of the copper(II) complex of the binucleating hexaaza macrocycle 2,5,8,17,20,23-hexaaza[9.9]paracyclophane and its solution chemistry, hydrolytic activity and acid dissociation kinetics ‡","Journal of the Chemical Society, Dalton Transactions","2001","","3","240","","10.1039/b006199i","","","0.71069","MoKα","","0.1524","0.1011","","","0.2536","0.3101","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014514","23.848","0.0003","24.4219","0.0004","30.8233","0.0004","90","","90","","90","","17951.9","0.4","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","(K(2,2,2-crypt))3(SnP15)*en","[K(2,2,2-crypt)]3[SnP15]*en","","- C56 H116 K3 N8 O18 P15 Sn -","- C56 H116.02 K3 N8 O18 P15 Sn -","- C448 H928.16 K24 N64 O144 P120 Sn8 -","8","0.5","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.0902","0.0638","","","0.142","0.1603","","","","","","1.026","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014515","23.8547","0.0002","24.2093","0.0002","30.8457","0.0003","90","","90","","90","","17813.6","0.3","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","(K(2,2,2-crypt))3(PbP15)*en","[K(2,2,2-crypt)]3[PbP15]*en","","- C56 H116 K3 N8 O18 P15 Pb -","- C56 H116.02 K3 N8 O18 P15 Pb -","- C448 H928.16 K24 N64 O144 P120 Pb8 -","8","0.5","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.0947","0.0847","","","0.1748","0.1779","","","","","","1.172","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7015826","12.26","0.004","20.121","0.006","35.895","0.011","90","","90","","90","","8855","5","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C42 H43 Cl6 N3 P2 Pd -","- C42 H43 Cl6 N3 P2 Pd -","- C336 H344 Cl48 N24 P16 Pd8 -","8","0.5","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.0882","0.0647","","","0.1497","0.1644","","","","","","1.177","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7021044","15.7941","0.001","18.9012","0.0011","28.6202","0.0018","90","","90","","90","","8543.9","0.9","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C45 H37 F6 N5 Ni P3 -","- C45 H37 F6 N5 Ni P3 -","- C360 H296 F48 N40 Ni8 P24 -","8","0.5","","Cariou, Renan; Graham, Todd W.; Stephan, Douglas W.","Synthesis and reactivity of nickel-hydride amino-bis-phosphinimine complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4237","4239","10.1039/c3dt33021d","","","0.71073","MoKα","","0.1086","0.0637","","","0.1655","0.1979","","","","","","1.045","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7024187","13.5452","0.0008","16.1898","0.0009","40.0972","0.0011","90","","90","","90","","8793.1","0.8","153","2","123","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H37 N6 O8 Rh -","- C48 H33 N6 O6 Rh -","- C384 H264 N48 O48 Rh8 -","8","0.5","","Hall, Jeremy D.; McLean, Tracey M.; Smalley, Serena J.; Waterland, Mark R.; Telfer, Shane G.","Chromophoric dipyrrin complexes capable of binding to TiO2: synthesis, structure and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","437","445","10.1039/b912332f","","","1.54178","CuKα","","0.0729","0.0576","","","0.1649","0.1714","","","","","","1.14","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024941","20.4935","0.0004","24.4709","0.0004","38.6274","0.0008","90","","90","","90","","19371.4","0.6","159","2","159","2","","","","","","","","7","I b c a","-I 2b 2c","73","(Cu2(C44H56O2N4)2(NO3))NO3(PF6)2","[Cu2(C44H56O2N4)2(NO3)]NO3[PF6]2","","- C88 H116 Cu2 F18 N10 O10 P3 -","- C88 H116 Cu2 F18 N10 O10 P3 -","- C704 H928 Cu16 F144 N80 O80 P24 -","8","0.5","","Wenzel, Marco; Bruere, Sam R.; Knapp, Quintin W.; Tasker, Peter A.; Plieger, Paul G.","Zwitterionic dicopper helicates: anion encapsulation and binding studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2936","2941","10.1039/b922998a","","","0.71073","MoKα","","0.087","0.0708","","","0.1742","0.1868","","","","","","1.051","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7041398","17.4956","0.0008","29.4158","0.0011","35.2708","0.0014","90","","90","","90","","18152","1.3","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C40 H32 Cd5 N20 O16 -","- C40 H32 Cd5 N20 O16 -","- C320 H256 Cd40 N160 O128 -","8","0.5","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Microporous rod metal-organic frameworks with diverse Zn/Cd-triazolate ribbons as secondary building units for CO2 uptake and selective adsorption of hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","836","844","10.1039/c6dt04433f","","","0.71073","MoKα","","0.0851","0.0627","","","0.1616","0.1699","","","","","","1.042","","","","has coordinates","191627","2020-10-21","18:00:00",""
"7047749","17.2258","0.0006","19.4733","0.0008","25.423","0.001","90","","90","","90","","8528","0.6","298","2","298.15","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C46 H46 F6 Ir N6 P -","- C46 H46 F6 Ir N6 P -","- C368 H368 F48 Ir8 N48 P8 -","8","0.5","","Laha, Paltan; De, Umasankar; Chandra, Falguni; Dehury, Niranjan; Khullar, Sadhika; Kim, Hyung Sik; Patra, Srikanta","Alkyl chain-modified cyclometalated iridium complexes as tunable anticancer and imaging agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15873","15881","10.1039/c8dt02461h","","","0.71073","MoKα","","0.0689","0.0367","","","0.0767","0.0934","","","","","","1.07","","","","has coordinates,has disorder","229287","2020-10-21","18:00:00",""
"7049361","11.996","0.0014","30.198","0.004","44.214","0.005","90","","90","","90","","16017","3","100","","100","","","","","","","","see text","6","I b c a","-I 2b 2c","73","","","","- C80 H62 F12 O9 P4 Ru2 -","- C80 H62 F12 O9 P4 Ru2 -","- C640 H496 F96 O72 P32 Ru16 -","8","0.5","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0765","0.0674","","","0.1604","0.1707","","","","","","1.068","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7110378","11.478","0.004","39.171","0.008","15.226","0.006","90","","90","","90","","6846","4","296","2","296","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C4 H20 Cu Mo2.5 N4 O13 P -","- C4 H20 Cu Mo2.5 N4 O13 P -","- C64 H320 Cu16 Mo40 N64 O208 P16 -","16","1","","Lu, Jianjiang; Xu, Yan; Goh, Ngoh K.; Chia, Lian S.","Hydrothermal assembly and structural characterisation of one- and two-dimensional organic/inorganic hybrid materials constructed from diphosphopentamolybdate(VI) clusters and {Cu(en)}2+ complex groups","Chemical Communications","1998","","24","2733","","10.1039/a807617k","","","0.71073","MoKα","","0.0288","0.0246","","0.0694","0.0603","","","","1.109","1.123","1.123","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115689","18.508","0.001","19.9088","0.001","28.5632","0.0015","90","","90","","90","","10524.7","1","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","{(PPMeP)Ni}2(N2)","","","- C50 H78 N2 Ni2 P6 -","- C50 H78 N2 Ni2 P6 -","- C400 H624 N16 Ni16 P48 -","8","0.5","","Yeong-Eun Kim; Jin Kim; Yunho Lee","Formation of a nickel carbon dioxide adduct and its transformation mediated by a Lewis acid","Chem.Commun.","2014","50","","11458","","10.1039/C4cc04800H","","","0.71073","MoKα","","0.0526","0.0337","","","0.0777","0.0917","","","","","","1.057","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115696","28.1305","0.0009","26.1877","0.0008","28.1745","0.0017","90","","90","","90","","20755.4","1.6","110","2","110","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C68 H40 Cu2 N8 O17 Zn4 -","- C68 H40 Cu2 N8 O17 Zn4 -","- C544 H320 Cu16 N64 O136 Zn32 -","8","0.5","","Alexandre Burgun; Rachel S. Crees; Marcus L. Cole; Christian J. Doonan; Christopher J. Sumby","A 3-D diamondoid MOF catalyst based on in situ generated [Cu(L)2] N-heterocyclic carbene (NHC) linkers: hydroboration of CO2","Chem.Commun.","2014","50","","11760","","10.1039/C4cc04761C","","","0.71073","MoKα","","0.1921","0.123","","","0.3462","0.3724","","","","","","1.131","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7118524","16.4014","0.0006","19.0245","0.0007","41.5572","0.0015","90","","90","","90","","12967","0.8","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C32 H31 B F4 N8 O2 Pd -","- C32 H31 B F4 N8 O2 Pd -","- C512 H496 B16 F64 N128 O32 Pd16 -","16","1","","Gazvoda, Martin; Virant, Miha; Pevec, Andrej; Urankar, Damijana; Bolje, Aljoša; Kočevar, Marijan; Košmrlj, Janez","A mesoionic bis(Py-tzNHC) palladium(ii) complex catalyses ""green"" Sonogashira reaction through an unprecedented mechanism.","Chemical communications (Cambridge, England)","2016","52","8","1571","1574","10.1039/c5cc08717a","","","0.71073","MoKα","","0.1512","0.0653","","","0.1079","0.1341","","","","","","0.963","","","","has coordinates,has disorder","174647","2020-10-21","18:00:00",""
"7120976","24.4994","0.0014","24.2314","0.0016","35.7646","0.0018","90","","90","","90","","21232","2","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C182 H84 Cr4 I2 Li2.04 N32 O10 -","- C182 H84 Cr4 I2 Li2.04 N32 O10 -","- C728 H336 Cr16 I8 Li8.16 N128 O40 -","4","0.25","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","1.54178","CuKα","","0.4574","0.2937","","","0.545","0.6296","","","","","","1.6","","","","has coordinates,has disorder","228435","2020-10-21","18:00:00",""
"7202377","8.7535","0.0014","13.673","0.002","43.743","0.007","90","","90","","90","","5235.5","1.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","Bisadenine silver complex","","","- C19 H26 Ag N11 O6 -","- C19 H26 Ag N11 O6 -","- C152 H208 Ag8 N88 O48 -","8","0.5","","Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep","Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries","CrystEngComm","2008","10","10","1296","","10.1039/b811205n","","","0.71073","MoKα","","0.0897","0.0728","","","0.2114","0.2372","","","","","","1.046","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7208766","13.4204","0.0006","16.5076","0.0007","28.1263","0.0013","90","","90","","90","","6231.1","0.5","273","2","273","2","","","","","","","","5","I b c a","-I 2b 2c","73","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C8 H16 Ag2 N2 O10 -","- C8 H16 Ag2 N2 O10 -","- C128 H256 Ag32 N32 O160 -","16","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0464","0.0365","","","0.0753","0.0785","","","","","","1.07","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7209480","7.0656","","14.268","","22.159","","90","","90","","90","","2233.89","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","Ba3 (((P O4)2 B) (P O4))","","- B Ba3 O12 P3 -","- B Ba3 O12 P3 -","- B8 Ba24 O96 P24 -","8","0.5","","Bluhm, K.; Park, C.-H.","Synthese und Kristallstruktur von Triblei-DiphosphatoBorat-Phosphat, eine Verbindung mit einem ((P O4)2 B P O4)6- - Anion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1617","1622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215784","21.0624","0.0007","23.7188","0.0007","24.3861","0.0007","90","","90","","90","","12182.7","0.6","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C9 H26 Ag4 I6 N2 O2 S2 -","- C9 H14 Ag4 I6 N2 O2 S2 -","- C144 H224 Ag64 I96 N32 O32 S32 -","16","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0702","0.0455","","","0.0939","0.1041","","","","","","1.07","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7216609","21.2208","0.0004","21.2265","0.0004","42.2475","0.0006","90","","90","","90","","19030.1","0.6","198","2","198","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C64 H90 Mn12 O49 -","- C64 H88 Mn12 O49 -","- C512 H704 Mn96 O392 -","8","0.5","","Ruiz-Molina, Daniel; Gerbier, Philippe; Rumberger, Evan; Amabilino, David B.; Guzei, Ilia A.; Folting, Kirsten; Huffman, John C.; Rheingold, Arnold; Christou, George; Veciana, Jaume; Hendrickson, David N.","Characterisation of nanoscopic [Mn12O12(O2CR)16(H2O)4] single-molecule magnets: physicochemical properties and LDI- and MALDI-TOF mass spectrometryLDI- and MALDI-TOF are acronyms for Laser Desorption/Ionisation and Matrix Assisted Laser Desorption/Ionisation Time-of-Flight.","Journal of Materials Chemistry","2002","12","4","1152","","10.1039/b104607c","","","0.71073","MoKα","","0.1126","0.0777","","","0.2138","0.2432","","","","","","1.631","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7223390","11.5874","0.0006","18.953","0.0009","23.142","0.0014","90","","90","","90","","5082.4","0.5","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","(2-oxybenzaldehyde 4-hydroxybenzoylhydrazonato-O,N,O) (2-oxybenzaldehyde 4-hydroxybenzoylhydrazidato-O,N,O)cobalt(III)","","- C28 H21 Co N4 O6 -","- C28 H21 Co N4 O6 -","- C224 H168 Co8 N32 O48 -","8","0.5","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","1.54184","CuKα","","0.0736","0.0512","","","0.1151","0.1305","","","","","","1.019","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7227364","14.9229","0.0008","18.9781","0.0013","21.8605","0.0014","90","","90","","90","","6191.1","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Ethenzamide-35Dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C256 H272 N16 O96 -","16","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0802","0.0538","","","0.1428","0.1621","","","","","","1.041","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7233433","15.112","0.0004","21.1317","0.0004","29.3846","0.0008","90","","90","","90","","9383.7","0.4","296.14","0.1","296.14","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H12 Fe N6 O4 Pt -","- C17 H12 Fe N6 O4 Pt -","- C272 H192 Fe16 N96 O64 Pt16 -","16","1","","Zhao, Jia; Huang, Hui; Liu, Ming; Wang, Jin-Hua; Liu, Kai; Li, Zhao-Yang","Hofmann-like metal‒organic-framework-derived PtxFe/C/N-GC composites as efficient electrocatalysts for methanol oxidation","RSC Advances","2019","9","45","26450","","10.1039/C9RA04652F","","x-ray","1.54184","CuKα","","0.0376","0.0324","","","0.1084","0.1127","","","","","","1.136","","","","has coordinates","217698","2020-10-21","18:00:00",""
"7236959","16.6206","0.0018","17.1087","0.0018","18.788","0.002","90","","90","","90","","5342.5","1","110","2","110","2","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C272 H288 O16 -","8","0.5","","Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang","Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching","Journal of Materials Chemistry C","2017","5","48","12785","","10.1039/C7TC04384H","","","0.71073","MoKα","","0.0597","0.0392","","","0.0841","0.0925","","","","","","1.038","","","","has coordinates","236671","2020-10-21","18:00:00",""
"7237667","17.635","0.0015","22.345","0.002","22.944","0.002","90","","90","","90","","9041.2","1.4","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C21 H15 N2 O5 Zn -","- C21 H15 N2 O5 Zn -","- C336 H240 N32 O80 Zn16 -","16","1","","Rouhani, Farzaneh; Rafizadeh-Masuleh, Fatemeh; Morsali, Ali","Selective sacrificial metal‒organic frameworks: a highly quantitative colorimetric naked-eye detector for aluminum ions in aqueous solutions","Journal of Materials Chemistry A","2019","7","31","18634","","10.1039/C9TA03647D","","","0.71073","MoKα","","0.0719","0.0448","","","0.108","0.1323","","","","","","1.103","","","","has coordinates","238489","2020-10-21","18:00:00",""
"7237679","29.3448","0.0004","23.6598","0.0004","24.6552","0.0003","90","","90","","90","","17117.9","0.4","100","0.5","100","0.5","","","","","","","","6","I b c a","-I 2b 2c","73","PCM-75","","","- C62 H54 Mg3 N2 O21 P2 -","- C62.068 H46 Mg3 N2 O21 P2 -","- C496.544 H368 Mg24 N16 O168 P16 -","8","0.5","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","","1.54184","CuKα","","0.0778","0.0752","","","0.2355","0.2383","","","","","","1.05","","","","has coordinates,has disorder","238503","2020-10-21","18:00:00",""
"7241434","21.8025","0.0003","26.2621","0.0004","29.1639","0.0004","90","","90","","90","","16698.6","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C38 H31 Ag4 N18 O4.5 -","- C38 H29 Ag4 N18 O4.5 -","- C608 H464 Ag64 N288 O72 -","16","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","1.54178","CuKα","","0.0331","0.0301","","","0.0769","0.0782","","","","","","1.027","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7244660","6.9856","0.0004","12.2954","0.0005","19.7434","0.0009","90","","90","","90","","1695.78","0.14","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- Eu K2 O8 P W -","- Eu K2 O8 P W -","- Eu8 K16 O64 P8 W8 -","8","0.5","","Terebilenko, Kateryna V.; Chornii, Vitalii P.; Zozulia, Valeriіa O.; Gural'skiy, Il'ya A.; Shova, Sergiu G.; Nedilko, Serhii G.; Slobodyanik, Mykola S.","Crystal growth, layered structure and luminescence properties of K2Eu(PO4)(WO4)","RSC Advances","2022","12","15","8901","8907","10.1039/D2RA00932C","","x-ray","0.71073","MoKα","","0.0413","0.0326","","","0.0799","0.087","","","","","","1.084","","","","has coordinates","273913","2022-03-23","02:13:30",""
"7246338","24.2819","0.0011","24.2419","0.0011","28.6093","0.0013","90","","90","","90","","16840.6","1.3","170","2","170","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46 H24 N8 O17 Zn4 -","- C46 H24 N8 O17 Zn4 -","- C368 H192 N64 O136 Zn32 -","8","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","1.54184","CuKα","","0.1717","0.1169","","","0.3209","0.3513","","","","","","0.976","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7249228","17.628","0.0006","15.8038","0.0008","15.6293","0.0014","90","","90","","90","","4354.2","0.5","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 N5 O6 Zn -","- C18.997 H17.996 N5 O6 Zn -","- C151.976 H143.968 N40 O48 Zn8 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","x-ray","0.71073","MoKα","","0.0648","0.0537","","","0.165","0.1722","","","","","","1.098","","","","has coordinates,has disorder","295219","2024-10-06","07:31:57",""
"7249229","17.449","0.008","15.828","0.003","15.959","0.013","90","","90","","90","","4408","4","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 Co N5 O6 -","- C19 H18 Co N5 O6 -","- C152 H144 Co8 N40 O48 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","","0.79313","synchrotron","","0.1374","0.0779","","","0.2281","0.2727","","","","","","0.902","","","","has coordinates,has disorder","295219","2024-10-06","07:31:58",""
"7702875","12.0221","0.0007","13.0629","0.0008","19.4476","0.0016","90","","90","","90","","3054.1","0.4","213","2","213","2","","","","","","","","5","I b c a","-I 2b 2c","73","Molybdenum(VI) oxide 2:1 complex with trans-1,4-bis(1,2,4- triazol-4-yl)cyclohexane","Molybdenum(VI) oxide 2:1 complex with trans-1,4-bis(1,2,4-triazol-4-yl)cyclohexane","","- C10 H14 Mo2 N6 O6 -","- C10 H14 Mo2 N6 O6 -","- C80 H112 Mo16 N48 O48 -","8","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lincke, Jörg; Lässig, Daniel; Fokin, Andrey A.; Butova, Ekaterina D.; Schreiner, Peter R.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal oxide-organic frameworks (MOOFs), a new series of coordination hybrids constructed from molybdenum(VI) oxide and bitopic 1,2,4-triazole linkers.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4223","4231","10.1039/b922732f","","","0.71073","MoKα","","0.0658","0.055","","","0.0926","0.0942","","","","","","1.23","","","","has coordinates","244083","2020-10-21","18:00:00",""
"7703628","15.2801","0.0011","23.978","0.0017","28.247","0.002","90","","90","","90","","10349.3","1.3","100","","100","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C56 H42 Co2 N6 O11 -","- C50 H33 Co2 N3 O11 -","- C400 H264 Co16 N24 O88 -","8","0.5","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.1236","0.0836","","","0.2091","0.2314","","","","","","1.059","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7704073","8.72446","0.00014","22.3339","0.0004","20.8612","0.0003","90","","90","","90","","4064.83","0.11","294","3","294","3","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C6 H12 N O6 P Zn -","- C6 H12 N O6 P Zn -","- C96 H192 N16 O96 P16 Zn16 -","16","1","","Huang, Lijuan; Wang, Lei; Zhao, Yan; Huang, Ling; Bi, Jian; Zou, Guohong; Lin, Zhien; Gao, Daojiang","Two amino acid-templated metal phosphates: surfactant-thermal synthesis, water stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5440","5444","10.1039/d0dt00966k","","x-ray","1.54184","CuKα","","0.0542","0.0517","","","0.1391","0.1422","","","","","","1.077","","","","has coordinates","252763","2020-10-21","18:00:00",""
"7705378","16.4124","0.0008","18.4546","0.001","27.6735","0.0012","90","","90","","90","","8381.9","0.7","150","2","150","2","","","","","","","synthesis as described","5","I b c a","-I 2b 2c","73","","","","- C42 H68 Ca N2 O6 -","- C42 H68 Ca N2 O6 -","- C336 H544 Ca8 N16 O48 -","8","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0537","0.0421","","","0.1008","0.11","","","","","","0.811","","","","has coordinates,has disorder","257509","2020-10-21","18:00:00",""
"7713358","14.429","0.003","15.544","0.003","28.11","0.005","90","","90","","90","","6305","2","120","","120","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C31 H33 Cu2 N2 O8 -","- C31 H33 Cu2 N2 O8 -","- C248 H264 Cu16 N16 O64 -","8","0.5","","Li, Xianzhen; Cao, Chen; Fan, Ziwen; Liu, Jianfa; Pham, Tony; Forrest, Katherine A.; Niu, Zheng","An aliphatic MOF with a molecular sieving effect for efficient C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01419c","","","1.34139","GaKα","","0.0483","0.0408","","","0.1157","0.1204","","","","","","1.092","","","","has coordinates","284763","2023-07-03","22:51:46",""
"7713957","24.2346","0.0005","24.4346","0.0005","28.728","0.0008","90","","90","","90","","17011.7","0.7","173","2","173","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H39 N14 O16 Zn4 -","- C48 H39 N14 O16 Zn4 -","- C384 H312 N112 O128 Zn32 -","8","0.5","","Wang, Zhi Gang; Ding, Tao; Fei, Jie","The gas-selective Zn-MOF exhibits selective sensing of Fe3+ ions by doping with Tb3+","Dalton Transactions","2023","","","","","10.1039/D3DT02721J","","","1.54178","CuKα","","0.1469","0.0938","","","0.2536","0.2865","","","","","","0.943","","","","has coordinates,has disorder","286361","2023-09-15","22:52:51",""
"7715927","13.9235","0.0004","14.4448","0.0003","30.0718","0.0009","90","","90","","90","","6048.1","0.3","100","","100","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C20 H38 I3 N4 O5 U -","- C20 H38 I3 N4 O5 U -","- C160 H304 I24 N32 O40 U8 -","8","0.5","","Kulasekara, D. Nuwangi; Bailey, Matthew D.; Ward, Cassandra L.; Allen, Matthew J.","Comparison of the structural, electrochemical, and spectroscopic properties of two cryptates of trivalent uranium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8657","8661","10.1039/d4dt00521j","","","0.71073","MoKα","","0.0321","0.0254","","","0.0594","0.0635","","","","","","1.03","","","","has coordinates,has disorder","293088","2024-07-05","16:35:17",""
"7715928","14.2159","0.0005","14.8269","0.0005","31.2033","0.0011","90","","90","","90","","6577","0.4","100","","100","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C22 H46 I3 N4 O7 U -","- C22 H46 I3 N4 O7 U -","- C176 H368 I24 N32 O56 U8 -","8","0.5","","Kulasekara, D. Nuwangi; Bailey, Matthew D.; Ward, Cassandra L.; Allen, Matthew J.","Comparison of the structural, electrochemical, and spectroscopic properties of two cryptates of trivalent uranium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8657","8661","10.1039/d4dt00521j","","","0.71073","MoKα","","0.0273","0.0252","","","0.0653","0.0668","","","","","","1.031","","","","has coordinates","293088","2024-07-05","16:35:17",""
"7716201","10.3358","0.001","11.1063","0.001","30.191","0.003","90","","90","","90","","3465.7","0.6","273","2","273","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C8 H18 O4 Ru S6 -","- C8 H12 O4 Ru S6 -","- C64 H96 O32 Ru8 S48 -","8","0.5","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.0418","0.038","","","0.1389","0.1466","","","","","","1.225","","","","has coordinates","293081","2024-07-05","16:33:16",""
"7716206","10.3525","0.0007","11.1613","0.0008","30.316","0.002","90","","90","","90","","3502.9","0.4","273","2","273.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C10 H12 O4 Ru S6 -","- C10 H12 O4 Ru S6 -","- C80 H96 O32 Ru8 S48 -","8","0.5","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.0498","0.0404","","","0.0735","0.081","","","","","","1.0804","","","","has coordinates","293081","2024-07-05","16:33:26",""
"8101390","20.389","0.003","5.775","0.001","5.944","0.001","90","","90","","90","","699.9","0.2","293","2","293","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C Ag K O3 -","- C Ag K O3 -","- C8 Ag8 K8 O24 -","8","0.5","","Zheng, Yue-Qing; Zhou, Lin-Xia; Lin, Jian-Li; Zhang, Sun-Wei","Refinement of the crystal structure of potassium catena-carbonatoargentate (I), K[Ag(CO~3~)]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","467","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8104133","16.265","","5.3439","","23.02","","90","","90","","90","","2000.86","","","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","Bi5 O7 I","","- Bi5 I O7 -","- Bi5 I O7 -","- Bi40 I8 O56 -","8","0.5","","Eggenweiler, U.; Ketterer, J.; Keller, E.; Kraemer, V.","The crystal structure of alpha-Bi5 O7 I","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","230","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000645","13.733","","13.729","","13.712","","90","","90","","90","","2585.26","","","","","","","","","","","","","5","I b c a","-I 2b 2c","73","","","Analcime","- Al1.64 H4 Na2.03 O14 Si4.36 -","- Al1.64 H4 Na2.03 O14 Si4.36 -","- Al13.12 H32 Na16.24 O112 Si34.88 -","8","0.5","","Mazzi, F.; Galli, E.","Is each analcime different? ANA 4","American Mineralogist","1978","63","","448","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9000648","13.727","","13.714","","13.74","","90","","90","","90","","2586.58","","","","","","","","","","","","","5","I b c a","-I 2b 2c","73","","","Analcime","- Al1.98 H4 Na2.01 O14 Si4.02 -","- Al1.98 H4 Na2.01 O14 Si4.02 -","- Al15.84 H32 Na16.08 O112 Si32.16 -","8","0.5","","Mazzi, F.; Galli, E.","Is each analcime different? ANA 7","American Mineralogist","1978","63","","448","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9013143","11.7119","","19.973","","11.5652","","90","","90","","90","","2705.35","","","","","","","","","","","","Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia","4","I b c a","-I 2b 2c","73","","","Chesnokovite","- H18 Na2 O12 Si -","- H18 Na2 O12 Si -","- H144 Na16 O96 Si8 -","8","0.5","","Pekova, I. V.; Chukanov, N. V.; Zadov, A. E.; Zubkova, N. V.; Pushcharovsky D Yu","Chesnokovite, Na2[SiO2(OH)2]*8H2O, the first natural sodium orthosilicate from the Lovozero alkaline pluton, Kola Peninsula: Description and crystal structure of a new mineral species Locality: Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia","Geology of Ore Deposits","2007","49","","727","738","10.1134/S1075701507080077","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""