# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T23:22:23+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c c n' 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
"1000508","13.7805","0.0012","29.081","0.005","8.4303","0.0012","90","","90","","90","","3378.45","","","","293","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Methyl (4S*,4aS*,8aS*)-4-t-butoxy-8a-methoxy-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate","","- C16 H26 O5 -","- C16 H26 O5 -","- C128 H208 O40 -","8","1","","Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.","Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters","European Journal of Organic Chemistry","2002","2002","3","514","525","10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z","","","","","","","0.0535","","","0.0535","","","","","","","","","","","has coordinates","175065","2020-10-21","18:00:00",""
"1007082","13.81","0.01","8.166","0.008","9.675","0.008","90","","90","","90","","1091.1","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Potassium tetrazinc phosphate","","- K O12 P3 Zn4 -","- K O12 P3 Zn4 -","- K4 O48 P12 Zn16 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure du Monophosphate de Potassium-Zinc: K Zn~4~ (P O~4~)~3~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","151","152","10.1107/S0567740879002806","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008693","9.571","0.003","14.006","0.004","11.678","0.003","90","","90","","90","","1565.5","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Lithium rhenium sulfide (4/6/11)","","- Li4 Re6 S11 -","- Li4 Re6 S11 -","- Li16 Re24 S44 -","4","0.5","","Bronger, W; Miessen, H J; Muller, P; Neugroschel, R","Darstellung und Kristallstruktur von Li4 Re6 S11","Journal of the Less-Common Metals","1985","105","","303","310","10.1016/0022-5088(85)90417-5","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100655","15.878","0.004","22.125","0.005","7.9029","0.0019","90","","90","","90","","2776.3","1.2","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H17 N5 -","- C14 H17 N5 -","- C112 H136 N40 -","8","1","","Hansongnern, Kanidtha; Tempiam, Sansanee; Liou, Jian-Cheng; Liao, Fen-Ling; Lu, Tian-Huey","Crystal Structure of 2-(4'-N,N-Diethylaminophenylazo)pyrimidine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x13","x14","10.2116/analscix.19.x13","","","0.71073","MoKα","","0.1696","0.0595","","","0.1081","0.1253","","","","","","0.822","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1100792","12.68","0.002","12.734","0.002","32.297","0.004","90","","90","","90","","5214","1","293.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C55 H64 B Cl2 Ir2 N4 Rh -","- C55 H64 B Cl2 Ir2 N4 Rh -","- C220 H256 B4 Cl8 Ir8 N16 Rh4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.051","","","","0.052","","","","","","1.007","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100861","10.9098","0.0005","12.5994","0.0006","19.3635","0.0009","90","","90","","90","","2661.6","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Au Cl N2 -","- C27 H38 Au Cl N2 -","- C108 H152 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0263","0.0187","","","0.0426","0.0467","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100994","8.2002","0.0014","13.084","0.002","9.2354","0.0015","90","","90","","90","","990.8","0.3","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,5-diureidoalkane","","","- C7 H16 N4 O2 -","- C7 H16 N4 O2 -","- C28 H64 N16 O8 -","4","0.5","","Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao","Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5","Journal of Molecular Structure","2005","752","1-3","93","97","10.1016/j.molstruc.2005.05.042","","","0.71073","MoKα","","0.0524","0.0393","","","0.1057","0.1163","","","","","","1.049","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1500005","27.4534","0.0016","13.1997","0.0008","14.468","0.0008","90","","90","","90","","5242.9","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Hexaammine cobalt(III) hydrogenarseniate tetrahydrate","","- As3 Co2 H47 N12 O16 -","- As3 Co2 H47 N12 O16 -","- As24 Co16 H376 N96 O128 -","8","1","","Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison","Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate","Journal of Molecular Structure","2007","828","","174","180","10.1016/j.molstruc.2006.05.047","","","0.71073","MoKα","","0.0335","0.0264","","","0.06","0.0622","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502236","9.165","0.0011","18.929","0.002","30.39","0.004","90","","90","","90","","5272.2","1.1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H22 N4 O5 -","- C30 H22 N4 O5 -","- C240 H176 N32 O40 -","8","1","","Deng, Hong-Ping; Wei, Yin; Shi, Min","Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles.","Organic letters","2011","13","13","3348","3351","10.1021/ol201094f","","","0.71073","MoKα","","0.059","0.0476","","","0.1226","0.129","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502321","27.989","0.003","9.0736","0.0009","9.4414","0.001","90","","90","","90","","2397.7","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C96 H144 O32 -","8","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0886","0.0607","","","0.1641","0.1818","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502724","12.7255","0.0003","15.1322","0.0006","8.1552","0.0003","90","","90","","90","","1570.4","0.09","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0594","0.0437","","","0.0964","0.1053","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502730","9.8846","0.0002","27.5538","0.0006","9.9296","0.0002","90","","90","","90","","2704.41","0.1","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C128 H160 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0708","0.0496","","","0.1006","0.1114","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502845","24.6054","0.0004","7.0101","0.0001","15.5516","0.0002","90","","90","","90","","2682.44","0.07","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes.","Organic letters","2010","12","8","1664","1667","10.1021/ol100075m","","","1.54178","CuKα","","0.056","0.0391","","","0.0956","0.1037","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502960","8.0751","0.001","17.198","0.002","28.867","0.004","90","","90","","90","","4008.9","0.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H20 Br2 S2 Si2 -","- C14 H20 Br2 S2 Si2 -","- C112 H160 Br16 S16 Si16 -","8","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0628","0.0497","","","0.1239","0.1286","","","","","","1.244","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503983","20.5261","0.0002","12.69158","0.00016","9.48439","0.00011","90","","90","","90","","2470.77","0.05","100","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C88 H160 N16 O16 -","8","1","","Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi","A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.","Organic letters","2009","11","15","3194","3197","10.1021/ol9010147","","","1.5418","CuKα","","","0.033","","","0.085","0.088","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505854","38.747","0.002","13.9582","0.0008","15.0445","0.0009","90","","90","","90","","8136.6","0.8","150","1","150","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C76 H126 N4 Si6 -","- C76 H126 N4 Si6 -","- C304 H504 N16 Si24 -","4","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.1113","0.0906","","","0.2179","0.235","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506685","10.126","0.005","14.618","0.005","18.704","0.005","90","","90","","90","","2768.6","1.8","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C144 H96 O48 -","12","1.5","","Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.","Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.","Organic letters","2005","7","22","4827","4830","10.1021/ol051511z","","","0.71073","MoKα","","0.1243","0.0435","","","0.0981","0.1075","","","","","","0.683","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506728","15.4757","0.0009","40.118","0.002","7.287","0.0004","90","","90","","90","","4524.2","0.4","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H28 O Sn -","- C27 H28 O Sn -","- C216 H224 O8 Sn8 -","8","1","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0548","0.0505","","","0.1135","0.1158","","","","","","1.108","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506808","31.229","0.004","12.075","0.002","15.127","0.002","90","","90","","90","","5704.2","1.4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","01358","Lithium perchlorate diglyme (1:2)","","- C12 H28 Cl Li O10 -","- C12 H28 Cl Li O10 -","- C144 H336 Cl12 Li12 O120 -","12","1.5","","Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G.","LiClO4Electrolyte Solvate Structures","The Journal of Physical Chemistry A","2004","108","1","225","","10.1021/jp035836d","","","0.71073","MoKα","","0.0621","0.04","","","0.0973","0.1133","","","","","","1.023","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1506990","22.182","0.005","9.474","0.005","19.654","0.005","90","0.005","90","0.005","90","0.005","4130","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H44 Cl10 S Sb -","- C38 H44 Cl10 S Sb -","- C152 H176 Cl40 S4 Sb4 -","4","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0844","0.0411","","","0.0504","0.0561","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507361","11.2522","0.0005","22.989","0.0012","37.8075","0.0015","90","","90","","90","","9779.9","0.8","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C42 H50 N6 O9 -","- C42 H50 N6 O9 -","- C336 H400 N48 O72 -","8","1","","Chong, Jonathan H.; Sauer, Marc; Patrick, Brian O.; MacLachlan, Mark J.","Highly stable keto-enamine salicylideneanilines.","Organic letters","2003","5","21","3823","3826","10.1021/ol0352714","","","0.71069","MoKα","","0.1556","0.101","","","0.2585","0.2918","","","","","","0.92","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507401","17.956","0.002","20.546","0.003","12.9986","0.0016","90","","90","","90","","4795.5","1.1","213","2","213","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H28 N2 O6 -","- C27 H28 N2 O6 -","- C216 H224 N16 O48 -","8","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.0941","0.0521","","","0.1272","0.1503","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507907","17.237","0.003","11.031","0.002","12.413","0.003","90","","90","","90","","2360.2","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H24 N4 O4 Zn -","- C27 H24 N4 O4 Zn -","- C108 H96 N16 O16 Zn4 -","4","0.5","","Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting","Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates","Inorganica Chimica Acta","2012","391","","66","74","10.1016/j.ica.2012.04.043","","","0.71073","MoKα","","0.0404","0.0378","","","0.0831","0.0847","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508111","19.074","0.004","21.504","0.004","14.858","0.003","90","","90","","90","","6094","2","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H50 Al N3 -","- C31 H50 Al N3 -","- C248 H400 Al8 N24 -","8","1","","Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas","Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.","Nature chemistry","2010","2","10","865","869","10.1038/nchem.762","","","0.71073","MoKα","","0.0939","0.0588","","","0.1294","0.1467","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508277","18.199","0.005","26.703","0.008","7.364","0.002","90","","90","","90","","3578.7","1.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H15 I O -","- C23 H15 I O -","- C184 H120 I8 O8 -","8","1","","Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan","Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols.","Organic letters","2012","14","14","3588","3591","10.1021/ol301153t","","","0.71073","MoKα","","0.0981","0.0805","","","0.2521","0.2632","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508540","14.6043","0.0005","22.5308","0.001","23.7796","0.0008","90","","90","","90","","7824.6","0.5","130","2","130","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","TAT001CF3","TAT001CF3","","- C21 H26 F3 N O -","- C21 H26 F3 N O -","- C336 H416 F48 N16 O16 -","16","2","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.2265","0.0766","","","0.1623","0.2286","","","","","","0.918","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509677","22.609","","27.6939","","11.589","","90","","90","","90","","7256.24","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Ag2 (Nb Ti3 P6 S25)","","- Ag2 Nb P6 S25 Ti3 -","- Ag1.985 Nb P6 S25 Ti3 -","- Ag15.88 Nb8 P48 S200 Ti24 -","8","1","","Quarton, M.; Angenault, J.; Cieren, X.; Wallez, G.","Two new thiophosphates with interlocked structures: Ag Ti2 (P S4)3 and Ag2 Nb Ti3 P6 S25","Journal of Solid State Chemistry","2000","153","","55","65","10.1006/jssc.2000.8739","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510867","7.051","","7.051","","27.32999","","90","","90","","90","","1358.75","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Gd8 Fe28 B28","","- B28 Fe28 Gd8 -","- B28 Fe28 Gd8 -","- B56 Fe56 Gd16 -","2","0.25","","Givord, D.; Tenaud, P.","Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd)","Journal of the Less-Common Metals","1986","123","","109","116","10.1016/0022-5088(86)90121-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510967","7.117","","7.117","","35.06999","","90","","90","","90","","1776.35","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Nd10 Fe36 B36","","- B36 Fe36 Nd10 -","- B36 Fe36 Nd10 -","- B72 Fe72 Nd20 -","2","0.25","","Givord, D.; Tenaud, P.","Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd)","Journal of the Less-Common Metals","1986","123","","109","116","10.1016/0022-5088(86)90121-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511162","15.3154","","8.9186","","5.813","","90","","90","","90","","794.009","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Sr (Ga B O4)","","- B Ga O4 Sr -","- B Ga O4 Sr -","- B8 Ga8 O32 Sr8 -","8","1","","He, M.; Liang, J.K.; Yang, Z.; Chen, X.L.; Chen, J.R.","The crystal structure of alpha-(Sr Ga B O4)","Crystal Research and Technology","2004","39","","634","642","10.1002/crat.200310235","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513024","14.1825","0.0008","17.9582","0.0008","14.9933","0.0005","90","","90","","90","","3818.7","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H15 Cd N2 O3.5 -","- C19 H15 Cd N2 O3.5 -","- C152 H120 Cd8 N16 O28 -","8","1","","Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang","Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities","Inorganica Chimica Acta","2013","397","","48","59","10.1016/j.ica.2012.11.018","","","0.71073","MoKα","","0.0662","0.0393","","","0.1305","0.1492","","","","","","1.148","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513273","24.132","0.002","9.2945","0.0004","9.5736","0.0005","90","","90","","90","","2147.3","0.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","1","","Huang, Xiaonan; Du, Fusheng; Cheng, Jing; Dong, Yongquan; Liang, Dehai; Ji, Shouping; Lin, Shrong-Shi; Li, Zichen","Acid-Sensitive Polymeric Micelles Based on Thermoresponsive Block Copolymers with Pendent Cyclic Orthoester Groups","Macromolecules","2009","42","3","783","","10.1021/ma802138r","","","0.71073","MoKα","","0.2128","0.0743","","","0.1111","0.141","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513451","30.1051","0.0006","30.0687","0.0006","7.05381","0.00016","90","","90","","90","","6385.3","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H15 N O7 -","- C18 H15 N O7 -","- C288 H240 N16 O112 -","16","2","","Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.","Total synthesis of (±)-distomadines a and B.","Organic letters","2014","16","4","1064","1067","10.1021/ol403598k","","x-ray","1.54184","CuKα","","0.0448","0.0358","","","0.0884","0.0933","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514621","14.5246","0.0009","15.621","0.0009","25.9215","0.0014","90","","90","","90","","5881.3","0.6","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C60 H82 Mg2 N4 O4 -","- C60 H82 Mg2 N4 O4 -","- C240 H328 Mg8 N16 O16 -","4","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0647","0.0466","","","0.1053","0.1159","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515414","21.8777","0.0007","24.4332","0.0008","8.9667","0.0002","90","","90","","90","","4793.1","0.2","120","2","120","2","","","","","","","Stephen Moore","4","P c c n","-P 2ab 2ac","56","","","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C192 H288 N32 O16 -","16","2","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.1841","0.1143","","","0.1725","0.2013","","","","","","1.153","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1515681","34.3459","0.0017","11.0908","0.0006","12.4392","0.0005","90","","90","","90","","4738.4","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0676","0.048","","","0.126","0.1386","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515803","20.3965","0.0016","15.7884","0.0013","17.1574","0.0014","90","","90","","90","","5525.2","0.8","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C60 H72 Cl4 Sn2 -","- C60 H72 Cl4 Sn2 -","- C240 H288 Cl16 Sn8 -","4","0.5","","Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.","Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers","Chemical Science","2010","1","4","461","","10.1039/c0sc00240b","","","0.71073","MoKα","","0.0691","0.0568","","","0.1251","0.1304","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515922","26.732","0.002","8.0585","0.0007","16.3195","0.0013","90","","90","","90","","3515.5","0.5","93","2","93","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","","- C45 H30 F6 S2 -","- C45 H30 F6 S2 -","- C180 H120 F24 S8 -","4","0.5","","Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro","Photochromism of dithienylethene single crystals having anthracene substituents.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","8","1079","1081","10.1039/c0pp00083c","","","0.71073","MoKα","","0.0505","0.0397","","","0.1005","0.104","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516427","19.1697","0.0013","21.281","0.0015","9.166","0.0006","90","","90","","90","","3739.3","0.4","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H21 N Si -","- C21 H21 N Si -","- C168 H168 N8 Si8 -","8","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.1979","0.0781","","","0.2189","0.334","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516453","30.312","0.005","20.567","0.003","6.777","0.0008","90","","90","","90","","4225","1.1","173","1","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C48 H50 N8 O5 -","- C48 H50 N8 O5 -","- C192 H200 N32 O20 -","4","0.5","","Ono, Katsuhiko; Tsukamoto, Kenichi; Hosokawa, Ryohei; Kato, Masaki; Suganuma, Motohiro; Tomura, Masaaki; Sako, Katsuya; Taga, Keijiro; Saito, Katsuhiro","A linear chain of water molecules accommodated in a macrocyclic nanotube channel.","Nano letters","2009","9","1","122","125","10.1021/nl802672u","","","0.7107","MoKα","","0.2907","0.0544","","","0.0808","0.1394","","","","","","0.682","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516907","22.0545","0.0009","4.6788","0.0002","12.8346","0.0005","90","","90","","90","","1324.38","0.09","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H9 Cl2 O4 P -","- C12 H9 Cl2 O4 P -","- C48 H36 Cl8 O16 P4 -","4","0.5","","Payal Malik; Debashis Chakraborty","Hydrogen phosphates: Self initiated organocatalysts for the controlled ring-opening polymerization of cyclic esters","Inorganica Chimica Acta","2013","400","","32","41","","","","0.71073","MoKα","","0.0699","0.0424","","","0.1017","0.1134","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517427","10.1824","0.0007","12.0243","0.0008","14.6817","0.0015","90","","90","","90","","1797.6","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide","bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide","","- C12 H28 I Li O6 -","- C12 H28 I Li O6 -","- C48 H112 I4 Li4 O24 -","4","0.5","","Vanhoutte, Gijs; Brooks, Neil R.; Schaltin, Stijn; Opperdoes, Bastiaan; Van Meervelt, Luc; Locquet, Jean-Pierre; Vereecken, Philippe M.; Fransaer, Jan; Binnemans, Koen","Electrodeposition of Lithium from Lithium-Containing Solvate Ionic Liquids","The Journal of Physical Chemistry C","2014","118","35","20152","","10.1021/jp505479x","","","0.71073","MoKα","","0.0546","0.028","","","0.0531","0.0607","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518140","17.8663","0.0012","22.1923","0.0015","22.2835","0.0015","90","","90","","90","","8835.3","1","296","2","296","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C40 H58 Cu2 K N8 O52 Ru Si W11 -","- C40 H32 Cu2 K N8 O52 Ru0.96 Si W11.04 -","- C160 H128 Cu8 K4 N32 O208 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.0971","0.0753","","","0.1918","0.2042","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518185","5.408","0.001","13.721","0.006","10.832","0.004","90","","90","","90","","803.8","0.5","","","293","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- F8 Ge H12 N4 -","- F8 Ge H12 N4 -","- F32 Ge4 H48 N16 -","4","0.5","","Gantar, Darja; Golic, Ljubo; Leban, Ivan; Rahten, Anka","Crystal structures of hydrazinium (2+) fluorometallates : crystal structures of hydrazinium (2+) difluoride hexafluorogermanate (IV) and hydrazinium (2+) pentafluoroantimonate (III)","Revue de Chimie Minerale","1986","23","","668","675","","","x-ray","0.71069","MoKα","","","0.048","","","0.05","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519087","25.3676","0.0008","10.1589","0.0009","12.018","0.002","90","","90","","90","","3097.1","0.6","","","120","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C15 H13 N O5 -","","","8","1","","Damsgaard, Anders; Hazell, Rita; Bols, Mikael","Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates","Acta Chemica Scandinavica","1999","53","","521","527","","","x-ray","0.71069","MoKα","","","0.066","","","0.076","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1519257","7.4172","0.0004","21.242","0.0006","5.6592","0.0017","90","","90","","90","","891.6","0.3","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C10 H8 S2 -","- C10 H8 S2 -","- C40 H32 S8 -","4","0.5","","Murphy, Patrick J.; Light, Mark E.; Hursthouse, Michael B.","C10H8S2","Crystal Structure Report Archive","2000","","","733","","","","","0.71073","MoKα","","0.0582","0.0423","","","0.1115","0.1205","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519731","20.4346","0.0003","31.7982","0.0005","17.2829","0.0002","90","","90","","90","","11230.1","0.3","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C97 H38 O5 -","- C97 H38 O5 -","- C776 H304 O40 -","8","1","","Smith, Paul D.; Coles, Simon J.; Hursthouse, Michael B.","C24H29N5NiO3S2","Crystal Structure Report Archive","2004","","","906","","","","","0.71073","MoKα","","0.1261","0.068","","","0.1631","0.1929","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520209","20.5769","0.0012","7.3521","0.0004","14.0383","0.0008","90","","90","","90","","2123.8","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Succinic acid & 1,2-dimethylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium succinate","Crystal Structure Report Archive","2008","","","461","","","","","0.71073","MoKα","","0.1161","0.0685","","","0.1383","0.1561","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520352","10.7827","0.0012","13.1678","0.0012","16.8284","0.0018","90","","90","","90","","2389.4","0.4","120","2","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H28 B Cl3 F4 Ru2 -","- C20 H28 B Cl3 F4 Ru2 -","- C80 H112 B4 Cl12 F16 Ru8 -","4","0.5","","Fletcher, Nicholas C.; Horton, Peter N.; Hursthouse, Michael B.","C20H28BCl3F4Ru2","Crystal Structure Report Archive","2009","","","1250","","","","","0.71073","MoKα","","0.093","0.0606","","","0.1276","0.1486","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529388","8.5528","0.0007","18.049","0.002","8.8422","0.0007","90","","90","","90","","1365","0.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H6 N2 O5 Pb0.5 -","- C3 H7 N2 O5 Pb0.5 -","- C24 H56 N16 O40 Pb4 -","8","1","","N.N. Golovnev; A.D. Vasiliev; M.S. Molokeev; G.V. Novikova; M.V. Sergeeva","The synthesis of complex compounds of metals with b-alanine","Vestnik KrasSU","2004","2","0","14","19","","","","0.70926","","","0.0967","0.0425","","","0.1215","0.1345","","","","","","1.028","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529562","9.838","","13.913","","14.076","","90","","90","","90","","1926.67","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Cs3 Fe4 (P O4)5","","- Cs3 Fe4 O20 P5 -","- Cs3 Fe4 O20 P5 -","- Cs12 Fe16 O80 P20 -","4","0.5","","Andrews-Allen, E.M.; Robinson, W.R.","Crystal structures of a cesium iron(III) phosphate, Cs3 Fe4 (P O4)5, and a cesium iron(III) oxyphosphate, Cs7 Fe7 (P O4)8 O2","Journal of Solid State Chemistry","1988","74","","88","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","154011","2020-10-21","18:00:00",""
"1530200","11.708","","5.805","","5.97","","90","","90","","90","","405.751","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Na2 U O4","","- Na2 O4 U -","- Na2 O4 U -","- Na8 O16 U4 -","4","0.5","","Kovba, L.M.","The crystal structure of potassium and sodium monouranates","Radiokhimiya","1971","13","","309","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530806","7.992","","11.424","","13.407","","90","","90","","90","","1224.07","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(K2 B12 H10 F2) (H2 O)","","- B12 F2 H12 K2 O -","- B12 F2 H10 K2 O -","- B48 F8 H40 K8 O4 -","4","0.5","","Solntsev, K.A.; Zukova, N.A.; Butman, L.A.; Kuznetsov, N.T.","Structure and properties of (K2 B12 H10 F2) (H2 O)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1882","1884","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531436","5.3788","","5.385","","13.139","","90","","90","","90","","380.569","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","La2 Cu O4.02","","- Cu La2 O4.02 -","- Cu La2 O4.02 -","- Cu4 La8 O16.08 -","4","0.5","","Hidaka, M.; Tanaka, K.; Wakimoto, H.; Yoshimura, M.; Ohba, M.; Yamada, K.","Structural phase transition and structural properties in oxygenated La2 Cu O4+y; y = 0.02","Phase Transition","2001","74","","391","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532861","5.351","","5.3377","","13.174","","90","","90","","90","","376.276","","","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(La0.875 Nd0.05 Ca0.032 Ba0.043)2 Cu O4","","- Ba0.086 Ca0.064 Cu La1.75 Nd0.1 O4 -","- Ba0.086 Ca0.064 Cu La1.75 Nd0.1 O4 -","- Ba0.344 Ca0.256 Cu4 La7 Nd0.4 O16 -","4","0.5","","McAllister, J.; Attfield, J.P.","Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","014514-1","014514-10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532862","5.3574","","5.3338","","13.163","","90","","90","","90","","376.137","","","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(La0.85 Nd0.075 Ca0.028 Ba0.047)2 Cu O4","","- Ba0.094 Ca0.056 Cu La1.7 Nd0.15 O4 -","- Ba0.094 Ca0.056 Cu La1.7 Nd0.15 O4 -","- Ba0.376 Ca0.224 Cu4 La6.8 Nd0.6 O16 -","4","0.5","","McAllister, J.; Attfield, J.P.","Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","014514-1","014514-10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532863","5.34916","","5.34237","","13.2317","","90","","90","","90","","378.125","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(La0.925 Sr0.019 Ba0.056)2 Cu O4","","- Ba0.112 Cu La1.85 O4 Sr0.038 -","- Ba0.112 Cu La1.85 O4 Sr0.038 -","- Ba0.448 Cu4 La7.4 O16 Sr0.152 -","4","0.5","","McAllister, J.; Attfield, J.P.","Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","014514-1","014514-10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532864","5.35043","","5.34393","","13.2246","","90","","90","","90","","378.122","","","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(La0.888 Nd0.037 Sr0.007 Ba0.068)2 Cu O4","","- Ba0.136 Cu La1.776 Nd0.074 O4 Sr0.014 -","- Ba0.136 Cu La1.776 Nd0.074 O4 Sr0.014 -","- Ba0.544 Cu4 La7.104 Nd0.296 O16 Sr0.056 -","4","0.5","","McAllister, J.; Attfield, J.P.","Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","014514-1","014514-10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532865","5.3512","","5.34459","","13.2209","","90","","90","","90","","378.117","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(La0.868 Nd0.058 Ba0.075)2 Cu O4","","- Ba0.15 Cu La1.736 Nd0.116 O4 -","- Ba0.15 Cu La1.736 Nd0.116 O4 -","- Ba0.6 Cu4 La6.944 Nd0.464 O16 -","4","0.5","","McAllister, J.; Attfield, J.P.","Cation size control of structure, structural fluctuations and superconductivity in L1.85 M0.15 Cu O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","014514-1","014514-10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533660","5.3625","","5.3663","","12.0857","","90","","90","","90","","347.788","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Pr2 Ca2 (Mn Ni O8)","","- Ca2 Mn Ni O8 Pr2 -","- Ca2 Mn Ni O8 Pr2 -","- Ca4 Mn2 Ni2 O16 Pr4 -","2","0.25","","Han Duk-Kyun; Kim Sang-Hwan; Kwon Young-Uk; Lee Jeong-Soo; Kim Sung-Hyun; Hong Kun-Pyo","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533663","5.3568","","5.3747","","12.0182","","90","","90","","90","","346.018","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Nd2 Ca2 (Mn Ni O8)","","- Ca2 Mn Nd2 Ni O8 -","- Ca2 Mn Nd2 Ni O8 -","- Ca4 Mn2 Nd4 Ni2 O16 -","2","0.25","","Han Duk-Kyun; Kim Sang-Hwan; Kim Sung-Hyun; Hong Kun-Pyo; Kwon Young-Uk; Lee Jeong-Soo","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533666","5.3673","","5.3405","","11.9038","","90","","90","","90","","341.211","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Sm2 Ca2 (Mn Ni O8)","","- Ca2 Mn Ni O8 Sm2 -","- Ca2 Mn Ni O8 Sm2 -","- Ca4 Mn2 Ni2 O16 Sm4 -","2","0.25","","Han Duk-Kyun; Lee Jeong-Soo; Hong Kun-Pyo; Kim Sang-Hwan; Kim Sung-Hyun; Kwon Young-Uk","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533669","5.3889","","5.3175","","11.8087","","90","","90","","90","","338.384","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Gd2 Ca2 (Mn Ni O8)","","- Ca2 Gd2 Mn Ni O8 -","- Ca2 Gd2 Mn Ni O8 -","- Ca4 Gd4 Mn2 Ni2 O16 -","2","0.25","","Han Duk-Kyun; Kwon Young-Uk; Kim Sang-Hwan; Hong Kun-Pyo; Kim Sung-Hyun; Lee Jeong-Soo","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533748","7.482","","20.908","","10.755","","90","","90","","90","","1682.44","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","K4 Mn (H (S O4)2)2 (H2 O)2","","- H6 K4 Mn O18 S4 -","- H6 K4 Mn O18 S4 -","- H24 K16 Mn4 O72 S16 -","4","0.5","","Troyanov, S.I.; Morozov, I.V.; Kemnitz, E.","Bimetallic hydrogen sulfates K4 M(II) (H (S O4)2)2 (H2 O)2 (M(II)= Mn or Zn)","Kristallografiya","2002","47","","1031","1034","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533750","7.442","","20.981","","10.585","","90","","90","","90","","1652.75","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","K4 Zn (H (S O4)2)2 (H2 O)2","","- H6 K4 O18 S4 Zn -","- H6 K4 O18 S4 Zn -","- H24 K16 O72 S16 Zn4 -","4","0.5","","Troyanov, S.I.; Morozov, I.V.; Kemnitz, E.","Bimetallic hydrogen sulfates K4 M(II) (H (S O4)2)2 (H2 O)2 (M(II)= Mn or Zn)","Kristallografiya","2002","47","","1031","1034","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534337","12.46","","4.92","","5.42","","90","","90","","90","","332.263","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","Sb2 O3","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Buerger, M. J.","The crystal structure of valentinite","American Mineralogist","1936","21","","206","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","205127","2020-10-21","18:00:00",""
"1534987","10.915","","10.572","","10.15","","90","","90","","90","","1171.24","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Se4 (Re Cl6)","","- Cl6 Re Se4 -","- Cl6 Re Se4 -","- Cl24 Re4 Se16 -","4","0.5","","Beck, J.; Desgroseilliers, A.; Mueller-Buschbaum, H.; Schlitt, K.J.","Strukturbeziehungen zwischen Tetraselen(2+)-hexachlorometallaten: Synthese und Kristallstruktur von Se4 (Re Cl6) und Phasenumwandlung von Se4 (M Cl6) (M = Zr, Hf)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1145","1151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534991","10.917","","10.803","","10.384","","90","","90","","90","","1224.65","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Se4 (Zr Cl6)","","- Cl6 Se4 Zr -","- Cl6 Se4 Zr -","- Cl24 Se16 Zr4 -","4","0.5","","Beck, J.; Desgroseilliers, A.; Mueller-Buschbaum, H.; Schlitt, K.J.","Strukturbeziehungen zwischen Tetraselen(2+)-hexachlorometallaten: Synthese und Kristallstruktur von Se4 (Re Cl6) und Phasenumwandlung von Se4 (M Cl6) (M = Zr, Hf)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1145","1151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535613","13.7011","","9.0709","","7.0391","","90","","90","","90","","874.829","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","K2 (Pt (C N)4)","","- C4 K2 N4 Pt -","- C4 K2 N4 Pt -","- C16 K8 N16 Pt4 -","4","0.5","","Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M.","Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1462","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535885","7.019","","9.865","","17.497","","90","","90","","90","","1211.54","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(N H4) Pr (Se O4)2 (H2 O)5","","- H14 N O13 Pr Se2 -","- N O13 Pr Se2 -","- N4 O52 Pr4 Se8 -","4","0.5","","Iskhakova, L.D.","Crystal structure of N H4 Pr (Se O4)2 (H2 O)5","Kristallografiya","1995","40","","631","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536234","10.1897","","15.5389","","7.4512","","90","","90","","90","","1179.8","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Cu Zn (Te O3) Cl2","","- Cl2 Cu O3 Te Zn -","- Cl2 Cu O3 Te Zn -","- Cl16 Cu8 O24 Te8 Zn8 -","8","1","","Johnsson, M.; Tornroos, K.W.","Synthesis and crystal structure of the layered compound Cu Zn (Te O3) Cl2","Solid State Sciences","2003","5","","263","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536835","11.167","","15.091","","13.431","","90","","90","","90","","2263.41","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Nb6 I8.7 Br2.3","","- Br2.3 I8.7 Nb6 -","- Br2.3001 I8.6999 Nb6 -","- Br9.2004 I34.7996 Nb24 -","4","0.5","","Yoshiasa, A.; Borrmann, H.; Simon, A.","Synthesis, structure and spin-crossover transition of the cluster compound Nb6I11-xBrx (0<= x<= 2.7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1329","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","164716","2020-10-21","18:00:00",""
"1536840","11.28","","15.302","","13.524","","90","","90","","90","","2334.33","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Nb6 I10.5 Br.5","","- Br0.5 I10.5 Nb6 -","- Br0.5 I10.5 Nb6 -","- Br2 I42 Nb24 -","4","0.5","","Yoshiasa, A.; Simon, A.; Borrmann, H.","Synthesis, structure and spin-crossover transition of the cluster compound Nb6I11-xBrx (0<= x<= 2.7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1329","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","164723","2020-10-21","18:00:00",""
"1539110","11.299","","15.309","","13.558","","90","","90","","90","","2345.21","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","Nb6 I11","","- I11 Nb6 -","- I11 Nb6 -","- I44 Nb24 -","4","0.5","","Simon, A.; von Schnering, H.G.; Schaefer, H.","Nb6 J11 - Eine Verbindung mit (Nb6 J8) - Gruppen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1967","355","","295","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","167864","2020-10-21","18:00:00",""
"1539806","7.13","","7.13","","35.12","","90","","90","","90","","1785.39","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Nd5 Fe18 B18","","- B18 Fe18 Nd5 -","- B18 Fe18 Nd5 -","- B72 Fe72 Nd20 -","4","0.5","","Bocelli, G.; Calestani, G.; Leccabue, F.","Structural investigation of incommensurate Nd(1+) epsilon Fe4B4 phase","Solid State Communications","1988","65","","1301","1305","","","","","","","","","","","","","","","","","","","","","","has coordinates","168855","2020-10-21","18:00:00",""
"1540188","12.6538","0.001","10.6947","0.0009","19.3375","0.0015","90","","90","","90","","2616.9","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H37 Cu N2 S -","- C27 H37 Cu N2 S -","- C108 H148 Cu4 N8 S4 -","4","0.5","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0606","0.0561","","","0.126","0.1284","","","","","","1.04","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540648","20.3261","0.0011","54.668","0.003","16.5827","0.0009","90","","90","","90","","18426.5","1.7","88","2","88","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C81 H141 K2 La2 N4 O13 Si4 -","- C81 H141 K2 La2 N4 O13 Si4 -","- C648 H1128 K16 La16 N32 O104 Si32 -","8","1","","Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J.","Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants","Chem. Sci.","2015","6","12","7267","","10.1039/C5SC02486B","","","0.71073","MoKα","","0.065","0.0553","","","0.1258","0.1305","","","","","","1.211","","","","has coordinates","170858","2020-10-21","18:00:00",""
"1540781","5.3538","","5.4034","","13.1449","","90","","90","","90","","380.265","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","La2 Cu O3.97","","- Cu La2 O3.97 -","- Cu La2 O3.968 -","- Cu4 La8 O15.872 -","4","0.5","","Yamada, K.; Kudo, E.; Endoh, Y.; Hidaka, Y.; Tsuda, K.; Oda, M.; Tanaka, M.; Asano, H.; Kokusho, K.; Murakami, T.; Izumi, F.; Suzuki, M.","Determination of space group and refinement of structure parameters for La2 Cu O4-d crystals","Japanese Journal of Applied Physics, Part 1","1988","27","","1132","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541558","13.266","","29.89","","12.99","","90","","90","","90","","5150.8","","","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","(Zn Cl2) (P (Sn (C H3)3)3) ((C H2)4 O)","","- C13 H35 Cl2 O P Sn3 Zn -","- C13 H35 Cl2 O P Sn3 Zn -","- C104 H280 Cl16 O8 P8 Sn24 Zn8 -","8","1","","Fuhr, O.; Fenske, D.","Die ungewoehnliche Umwandlung von P (Sn Me3)3 in P4 (Sn Me2)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542003","15.6","","7.2","","11.7","","90","","90","","90","","1314.14","","","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","K3 V (C N)5 N O (H2 O)2","","- C5 H4 K3 N6 O3 V -","- C5 K3 N6 O3 V -","- C20 K12 N24 O12 V4 -","4","0.5","","Jagner, S.; Vannerberg, N.G.","Note on the crystal structure of potassium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","3330","3331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542236","15.17","0.04","8.86","0.03","5.48","0.02","90","","90","","90","","736.546","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Sr B Al O4","","- Al B O4 Sr -","- Al B O4 Sr -","- Al8 B8 O32 Sr8 -","8","1","","Nagai, T.; Ihara, M.","Crystal Structure of Di-Strontium Boro-Aluminate, 2(SrO)~2~⋅Al~2~O~3~⋅B~2~O~3~","Journal of the Ceramic Association, Japan","1972","80","927","432","437","10.2109/jcersj1950.80.927_432","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542275","20.862","0.003","10.4975","0.0017","16.69","0.003","90","","90","","90","","3655.1","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0867","0.0503","","","0.1068","0.1232","","","","","","1.041","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542659","16.762","0.002","22.071","0.003","7.4782","0.001","90","","90","","90","","2766.6","0.6","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H9 O2 P S -","- C18 H9 O2 P S -","- C144 H72 O16 P8 S8 -","8","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0342","0.0313","","","0.0681","0.0695","","","","","","1.01","","","","has coordinates","177309","2020-10-21","18:00:00",""
"1542896","17.008","0.008","32.243","0.012","7.688","0.003","90","","90","","90","","4216","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","YR4","","","- C28 H17 N4 P S -","- C28 H17 N4 P S -","- C224 H136 N32 P8 S8 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0438","0.0371","","","0.0975","0.1021","","","","","","1.06","","","","has coordinates","185117","2020-10-21","18:00:00",""
"1543482","31.2222","0.0006","7.9107","0.0002","8.3373","0.0002","90","","90","","90","","2059.23","0.08","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Allyl-5-chloroindoline-2,3-dione","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C88 H64 Cl8 N8 O16 -","8","1","HB4053","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid","1-Allyl-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160862","","10.1107/S2414314616008622","","","0.71073","MoKα","","0.0633","0.0459","","","0.1308","0.1462","","","","","","1.023","","","","has coordinates,has Fobs","183694","2020-10-21","18:00:00",""
"1544819","15.9745","0.0006","25.7276","0.001","7.4153","0.0003","90","","90","","90","","3047.6","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","","- C16 H14 Cl N O S -","- C16 H14 Cl N O S -","- C128 H112 Cl8 N8 O8 S8 -","8","1","HB4098","Ravi, A. J.; Vinayaka, A. C.; Kumar, Shamantha; Sadashiva, M. P.; Devarajegowda, H. C.","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","IUCrData","2016","1","12","x161994","","10.1107/S2414314616019945","","","1.54178","CuKα","","0.0497","0.0478","","","0.1309","0.1331","","","","","","1.062","","","","has coordinates,has Fobs","189282","2020-10-21","18:00:00",""
"1546609","18.38","0.007","28.155","0.011","8.802","0.003","90","","90","","90","","4555","3","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H25 B N3 O -","- C28 H25 B N3 O -","- C224 H200 B8 N24 O8 -","8","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","x-ray","0.71073","MoKα","","0.0942","0.0598","","","0.1653","0.1818","","","","","","1.087","","","","has coordinates","199589","2020-10-21","18:00:00",""
"1546911","19.9665","0.0004","30.9093","0.0006","32.546","0.002","90","","90","","90","","20085.8","1.4","200","","200","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C582 H422 Ag8 B16 Cl42 F136 O16 P24 Pd24 S24 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.1117","0.0802","","","0.2131","0.2819","","","","","","1.202","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1547062","15.6419","0.0012","23.9707","0.0018","7.8208","0.0006","90","","90","","90","","2932.4","0.4","301","2","301","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0379","0.0304","","","0.0772","0.081","","","","","","1.043","","","","has coordinates,has disorder","200572","2020-10-21","18:00:00",""
"1547552","14.952","0.003","18.354","0.004","9.4968","0.0019","90","","90","","90","","2606.2","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","1","","Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.","Organic letters","2017","19","18","4718","4721","10.1021/acs.orglett.7b01969","","","0.71073","MoKα","","0.1369","0.115","","","0.2576","0.273","","","","","","1.311","","","","has coordinates","201703","2020-10-21","18:00:00",""
"1548156","15.5968","0.0006","38.1771","0.0015","11.0526","0.0005","90","","90","","90","","6581.2","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H46 Cl Fe N2 O2 -","- C30.815 Cl Fe N2 O2 -","- C246.52 Cl8 Fe8 N16 O16 -","8","1","","Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong","Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation","Macromolecules","2017","50","23","9188","","10.1021/acs.macromol.7b01766","","","0.71073","","","0.0783","0.0587","","","0.1484","0.1602","","","","","","1.037","","","","has coordinates,has disorder","204876","2020-10-21","18:00:00",""
"1548502","21.247","0.003","18.09","0.002","20.065","0.002","90","","90","","90","","7712.1","1.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H33 Au2 N2 O6.5 P2 -","- C40 H33 Au2 N2 O6.5 P2 -","- C320 H264 Au16 N16 O52 P16 -","8","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0753","0.053","","","0.1215","0.1323","","","","","","1.055","","","","has coordinates,has disorder","204404","2020-10-21","18:00:00",""
"1548992","14.5591","0.0008","21.6499","0.0015","13.0273","0.0009","90","","90","","90","","4106.2","0.5","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4,8,12,12-tetramethyl-8,12-dihydrobenzo[8,1]isoquinolino[3,4,5,6-klmn]acridinium hexafluorophosphate","","- C24 H21 F6 N2 P -","- C24 H21 F6 N2 P -","- C192 H168 F48 N16 P8 -","8","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0872","0.0435","","","0.0858","0.1015","","","","","","1.041","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1549066","29.5823","0.001","15.1971","0.0008","7.4303","0.0002","90","","90","","90","","3340.4","0.2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide","","- C15 H21 N3 O2 S -","- C15 H21 N3 O2 S -","- C120 H168 N24 O16 S8 -","8","1","SU5423","Chaurasia, Rahul; Bharti, Akhilesh; Butcher, Ray J.; Wikaira, Jan L.; Bharty, Manoj K.","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent","IUCrData","2018","3","3","x180383","","10.1107/S2414314618003838","","","0.71073","MoKα","","0.081","0.0512","","","0.1222","0.1412","","","","","","1.005","","","","has coordinates,has Fobs","206946","2020-10-21","18:00:00",""
"1549081","21.5605","0.0015","26.1802","0.0019","19.2608","0.0013","90","","90","","90","","10871.9","1.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H83 B2 Li O4 -","- C57 H83 B2 Li O4 -","- C456 H664 B16 Li8 O32 -","8","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2038","0.086","","","0.1598","0.2033","","","","","","0.946","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549350","11.0729","0.0012","12.6284","0.0013","19.6141","0.0019","90","","90","","90","","2742.7","0.5","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","","- C27 H37 Cl N2 O4 -","- C27 H37 Cl N2 O4 -","- C108 H148 Cl4 N8 O16 -","4","0.5","HB4223","Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S.","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","IUCrData","2018","3","4","x180516","","10.1107/S2414314618005163","","","0.71073","MoKα","","0.0844","0.051","","","0.129","0.1497","","","","","","1.043","","","","has coordinates,has Fobs","207581","2020-10-21","18:00:00",""
"1549935","19.0205","0.0003","20.3813","0.0004","30.1755","0.0005","90","","90","","90","","11697.9","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","2","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","0.5","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.0634","0.054","","","0.161","0.1688","","","","","","1.072","","","","has coordinates","228760","2020-10-21","18:00:00",""
"1550415","18.5184","0.0008","19.9443","0.0007","9.0043","0.0004","90","","90","","90","","3325.6","0.2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C39 H32 Br2 N4 O -","- C39 H32 Br2 N4 O -","- C156 H128 Br8 N16 O4 -","4","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; McEachern, David F.; Dissanayake, Madushanka M.; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S.","UV-irradiation of self-assembled triphenylamines affords persistent and regenerable radicals","Chemical Science","2019","","","","","10.1039/C8SC04607G","","x-ray","0.71073","MoKα","","0.0561","0.044","","","0.121","0.1294","","","","","","1.047","","","","has coordinates,has disorder","212912","2020-10-21","18:00:00",""
"1550937","29.5503","0.0011","29.9584","0.0012","16.0497","0.0006","90","","90","","90","","14208.5","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Ho N5 O5 -","- C32 H24 Br4 Ho N5 O5 -","- C512 H384 Br64 Ho16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1372","0.0546","","","0.0767","0.0951","","","","","","1.037","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550938","29.587","0.003","29.91","0.003","15.986","0.0018","90","","90","","90","","14147","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Lu N5 O5 -","- C32 H24 Br4 Lu N5 O5 -","- C512 H384 Br64 Lu16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1374","0.0731","","","0.1615","0.1922","","","","","","1.082","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1551492","8.96089","0.00013","35.7856","0.0006","14.92847","0.00019","90","","90","","90","","4787.12","0.12","179.95","0.1","179.95","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H22 F3 N O3 -","- C32 H22 F3 N O3 -","- C256 H176 F24 N8 O24 -","8","1","","Labrador, Geraldine M.; Besnard, Céline; Bürgi, Thomas; Poblador-Bahamonde, Amalia I.; Bosson, Johann; Lacour, Jérôme","Stereochemical significance of O to N atom interchanges within cationic helicenes: experimental and computational evidence of near racemization to remarkable enantiospecificity","Chemical Science","2019","","","","","10.1039/C9SC02127B","","x-ray","1.54184","CuKα","","0.0415","0.0369","","","0.0899","0.0938","","","","","","1.048","","","","has coordinates","216085","2020-10-21","18:00:00",""
"1551873","21.7258","0.002","13.1123","0.0011","17.0196","0.0015","90","","90","","90","","4848.5","0.7","150","2","150","2","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","(NH4)2[Mo6Br8(NCS)6].4(C3H6O)","","- C18 H32 Br8 Mo6 N8 O4 S6 -","- C18 H24 Br8 Mo6 N8 O4 S6 -","- C72 H96 Br32 Mo24 N32 O16 S24 -","4","0.5","","Kepenekian, Mikaël; Molard, Yann; Costuas, Karine; Lemoine, Pierric; Gautier, Régis; Ababou Girard, Soraya; Fabre, Bruno; Turban, Pascal; Cordier, Stéphane","Red-NIR luminescence of Mo6 monolayered assembly directly anchored on Au(001)","Materials Horizons","2019","6","9","1828","","10.1039/C9MH00724E","","x-ray","0.71073","MoKα","","0.1769","0.1073","","","0.2389","0.2757","","","","","","1.117","","","","has coordinates","225366","2020-10-21","18:00:00",""
"1552518","30.089","0.003","12.8432","0.0011","17.3407","0.0015","90","","90","","90","","6701.1","1.1","100","2","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H55 Mn N2 P4 Si -","- C26.988 H54.968 Mn N2 P3.996 Si -","- C215.904 H439.744 Mn8 N16 P31.968 Si8 -","8","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1543","0.103","","","0.2048","0.2289","","","","","","1.208","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552774","25.0091","0.0004","5.39364","0.0001","9.37759","0.00019","90","","90","","90","","1264.94","0.04","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H20 Cl N S2 -","- C8 H20 Cl N S2 -","- C32 H80 Cl4 N4 S8 -","4","0.5","","TOYAMA, Mari; CHAYAMA, Kenji","Crystal Structure of 6-Aza-3,9-dithiaundecane Hydrochloride","X-ray Structure Analysis Online","2019","35","0","55","","10.2116/xraystruct.35.55","","","1.54187","CuKα","","0.0341","0.0313","","","0.0849","0.088","","","","","","1.058","","","","has coordinates","225372","2020-10-21","18:00:00",""
"1553085","16.756","0.003","19.073","0.004","15.93","0.003","90","","90","","90","","5091","1.7","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C29 H39 B N2 -","- C29 H39 B N2 -","- C232 H312 B8 N16 -","8","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.1108","0.061","","","0.1439","0.1722","","","","","","1.024","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553490","20.2007","0.0006","25.2676","0.0007","31.3498","0.0008","90","","90","","90","","16001.7","0.8","113","","113","","","","","","","","","5","P c c n","-P 2ab 2ac","56","2PdNAmX-2","","","- C60 H44 N4 O4 Pd2 -","- C60 H44 N4 O4 Pd2 -","- C720 H528 N48 O48 Pd24 -","12","1.5","","Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi","Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules","Organic Chemistry Frontiers","2016","3","10","1286","","10.1039/C6QO00315J","","","0.71075","MoKα","","","0.0687","","","","0.1993","","","","","","1.037","","","","has coordinates","235053","2020-10-21","18:00:00",""
"1553505","15.3031","0.0006","18.1046","0.0006","15.6855","0.0006","90","","90","","90","","4345.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H25 N2 O4 P -","- C22 H25 N2 O4 P -","- C176 H200 N16 O32 P8 -","8","1","","Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Silver(i)-promoted C5‒H phosphonation of 8-aminoquinoline amides with H-phosphonates","Organic Chemistry Frontiers","2016","3","12","1646","","10.1039/C6QO00379F","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.1597","0.1898","","","","","","1.022","","","","has coordinates,has disorder","235076","2020-10-21","18:00:00",""
"1554386","21.607","0.002","13.2782","0.0012","14.0261","0.0013","90","","90","","90","","4024.1","0.6","130","2","130","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C48 H49 Cl2 N2 -","- C48 H49 Cl2 N2 -","- C192 H196 Cl8 N8 -","4","0.5","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0855","0.0641","","","0.1752","0.1939","","","","","","1.033","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554391","17.7085","0.0009","33.2898","0.0016","17.0054","0.0009","90","","90","","90","","10024.9","0.9","135","2","135","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H35 Mg N2 -","- C26 H35 Mg N2 -","- C416 H560 Mg16 N32 -","16","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1431","0.1024","","","0.1999","0.2137","","","","","","1.236","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1555253","7.379","0.0005","14.8543","0.001","16.8845","0.001","90","","90","","90","","1850.7","0.2","99.99","0.1","99.99","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H8.64 O2 -","- C13 H8.646 O2 -","- C104 H69.168 O16 -","8","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.","Chemical science","2019","10","31","7433","7441","10.1039/c9sc02057h","","x-ray","0.71073","MoKα","","0.0526","0.043","","","0.104","0.111","","","","","","1.054","","","","has coordinates,has disorder","238426","2020-10-21","18:00:00",""
"1555381","22.182","0.004","22.337","0.005","14.877","0.003","90","","90","","90","","7371","3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C352 H320 N32 O80 -","16","2","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.1201","0.0679","","","0.1906","0.2788","","","","","","0.987","","","","has coordinates","238586","2020-10-21","18:00:00",""
"1556395","17.548","0.004","24.274","0.005","14.468","0.003","90","","90","","90","","6163","2","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C74 H72 O12 -","- C74 H72 O12 -","- C296 H288 O48 -","4","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.1395","0.1251","","","0.3265","0.3503","","","","","","1.336","","","","has coordinates,has disorder","244433","2020-10-21","18:00:00",""
"1556499","12.3641","0.0012","16.3858","0.0016","15.4945","0.0015","90","","90","","90","","3139.1","0.5","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dipp KetoImine","2-(2,6-diisopropylphenyl)pent-2-en-4-one","","- C17 H25 N O -","- C17 H25 N O -","- C136 H200 N8 O8 -","8","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0668","0.0428","","","0.1039","0.1201","","","","","","1.032","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556608","16.0038","0.0008","16.5124","0.0008","26.6249","0.001","90","","90","","90","","7035.9","0.6","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C72 H60 Dy N3 O13 P4 -","- C72 H60 Dy N3 O13 P4 -","- C288 H240 Dy4 N12 O52 P16 -","4","0.5","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0869","0.0637","","","0.1669","0.1853","","","","","","1.124","","","","has coordinates,has disorder","245246","2020-10-21","18:00:00",""
"1556742","33.63","0.01","8.271","0.002","19.717","0.006","90","","90","","90","","5484","3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H32 O2 S3 Si2 -","- C22 H32 O2 S3 Si2 -","- C176 H256 O16 S24 Si16 -","8","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.1288","0.0869","","","0.0816","0.0848","","","","3.8","3.8","3.22","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1557054","16.5305","0.0008","18.7386","0.001","10.5281","0.0006","90","","90","","90","","3261.2","0.3","200","1","200","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H14 I N -","- C20 H14 I N -","- C160 H112 I8 N8 -","8","1","","Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00418","","","1.54178","CuKα","","0.0273","0.0262","","","0.0702","0.0715","","","","","","1.042","","","","has coordinates,has disorder","246926","2020-10-21","18:00:00",""
"1557402","42.071","0.003","29.3977","0.001","6.6541","0.0002","90","","90","","90","","8229.7","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H42 B2 Br2 O2 -","- C44 H42 B2 Br2 O2 -","- C352 H336 B16 Br16 O16 -","8","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.1173","0.0907","","","0.2404","0.258","","","","","","1.129","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557555","9.386","0.004","10.914","0.004","26.294","0.009","90","","90","","90","","2693.5","1.8","","","166","","","","","","","","","4","P c c n","-P 2ab 2ac","56","c-4-Hydroxy-r-1-trinitromethyl-1,4-dihydrodibenzofuran","","","- C13 H9 N3 O8 -","- C13 N3 O8 -","- C104 N24 O64 -","8","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran","Acta Chemica Scandinavica","1996","50","","587","595","10.3891/acta.chem.scand.50-0587","","x-ray","0.71069","MoKα","","","0.079","","","","0.093","","","","","","","","","","has coordinates","249193","2020-10-21","18:00:00",""
"1557606","16.3226","0.0016","22.813","0.002","14.7718","0.0015","90","","90","","90","","5500.5","0.9","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C160 H352 Cl16 N16 O16 P16 Pd8 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0554","0.0332","","","0.0685","0.0776","","","","","","1.013","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557901","37.632","0.001","14.8891","0.0004","13.0219","0.0004","90","","90","","90","","7296.3","0.4","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 F9 N O -","- C42 H34 F9 N O -","- C336 H272 F72 N8 O8 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.1062","0.0697","","","0.1559","0.1699","","","","","","1.071","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557987","24.4749","0.0004","22.6183","0.0004","12.7406","0.0002","90","","90","","90","","7052.9","0.2","95","2","95","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H48 I N4 O P Pt -","- C33 H48 I N4 O P Pt -","- C264 H384 I8 N32 O8 P8 Pt8 -","8","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0533","0.037","","","0.077","0.0832","","","","","","1.09","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1558720","21.4182","0.0005","22.3478","0.0005","9.3093","0.0002","90","","90","","90","","4455.89","0.17","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas","Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01025","","","1.54178","CuKα","","0.0686","0.0576","","","0.1313","0.1379","","","","","","1.111","","","","has coordinates","254707","2020-10-21","18:00:00",""
"1559198","22.7722","0.0009","21.0367","0.0012","6.7533","0.0003","90","","90","","90","","3235.2","0.3","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C20 H14 O5 -","- C20 H14 O5 -","- C160 H112 O40 -","8","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","","1.54184","CuKα","","0.0901","0.0609","","","0.1687","0.1896","","","","","","1.059","","","","has coordinates","256768","2020-10-21","18:00:00",""
"1559726","37.471","0.005","39.182","0.005","25.613","0.004","90","","90","","90","","37605","9","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C248 H252 Mn24 N4 O140 -","- C248 H204 Mn24 N4 O140 -","- C992 H816 Mn96 N16 O560 -","4","0.5","","Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.","Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones","Chemical Science","2020","11","46","12547","12552","10.1039/D0SC05002D","","","0.71073","MoKα","","0.1834","0.0858","","","0.2134","0.2766","","","","","","1.013","","","","has coordinates,has disorder","259674","2020-12-09","02:11:18",""
"1559970","17.53","0.004","9.226","0.003","8.8","0.002","90","","90","","90","","1423.2","0.7","","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Pb3(S2O3)2(CH3COO)2","","","- C4 H6 O10 Pb3 S4 -","- C4 O10 Pb3 S4 -","- C16 O40 Pb12 S16 -","4","0.5","","Christensen, A. Norlund; Hazell, R. G.","A Single-Crystal X-Ray Structure Determination of Pb3(S2O3)2(CH3COO)2","Acta Chemica Scandinavica","1990","44","","1077","1079","10.3891/acta.chem.scand.44-1077","","x-ray","0.71069","MoKα","","","0.06","","","","","","","","","","","","","","has coordinates","260573","2021-01-06","10:44:49",""
"1560744","29.9034","0.0014","15.9541","0.0006","8.2978","0.0003","90","","90","","90","","3958.7","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C14 H18 Ba Co O8 P2 -","- C14 H4 Ba Co O8 P2 -","- C112 H32 Ba8 Co8 O64 P16 -","8","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.1003","0.0735","","","0.1419","0.1506","","","","","","1.305","","","","has coordinates,has disorder","262351","2021-03-02","08:28:47",""
"1560791","36.709","0.006","14.468","0.002","22.856","0.004","90","","90","","90","","12139","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C46 H70 N4 O41 Zn4 -","- C46 H70 N4 O41 Zn4 -","- C368 H560 N32 O328 Zn32 -","8","1","","Wen, Huiliang; Gong, Yunnan; Lai, Bowen; Liu, Zhifeng; Xiong, Zhiqiang; Liu, Chongbo","Three microporous Zn coordination polymers constructed by 3,4,5-tris(carboxymethoxy)benzoic acid and 4,4′-bipyrdine: Structures, topologies, and luminescence","Journal of Solid State Chemistry","2018","266","","143","149","10.1016/j.jssc.2018.06.024","","","0.71073","MoKα","","0.1207","0.0485","","","0.089","0.12","","","","","","0.991","","","","has coordinates","262393","2021-03-03","10:19:10",""
"1561084","25.6123","0.0005","14.1294","0.0003","15.9965","0.0003","90","","90","","90","","5788.9","0.2","296","2","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H28 Cd N5 O6 -","- C28 H28 Cd0.999 N5 O6 -","- C224 H224 Cd7.992 N40 O48 -","8","1","","Arıcı, Mürsel","Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers","Journal of Solid State Chemistry","2018","262","","79","86","10.1016/j.jssc.2018.03.013","","","0.71073","MoKα","","0.0868","0.0528","","","0.0948","0.105","","","","","","1.047","","","","has coordinates,has disorder","263090","2021-03-17","10:51:07",""
"1561264","8.21","0.002","19.422","0.006","21.269","0.007","90","","90","","90","","3391.4","1.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H26 N6 O9 Zn2 -","- C36 H26 N6 O9 Zn2 -","- C144 H104 N24 O36 Zn8 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.1557","0.0605","","","0.1088","0.1359","","","","","","1.033","","","","has coordinates","263323","2021-03-25","10:29:19",""
"1561329","28.807","0.004","7.5968","0.001","11.4852","0.0016","90","","90","","90","","2513.4","0.6","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H10 O6 Pb -","- C14 H10 O6 Pb -","- C112 H80 O48 Pb8 -","8","1","","Singh, Suryabhan; Bhim, Anupam","Water linked 3D coordination polymers: Syntheses, structures and applications","Journal of Solid State Chemistry","2016","244","","151","159","10.1016/j.jssc.2016.09.025","","","0.71073","MoKα","","0.0259","0.0235","","","0.0492","0.05","","","","","","1.209","","","","has coordinates","263412","2021-03-29","09:01:06",""
"1561714","6.316","","7.755","","8.988","","90","","90","","90","","440.237","","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- Fe H4 O6 S -","- Fe H4 O6 S -","- Fe4 H16 O24 S4 -","4","0.5","","Zhao, Long; Liu, Wei; Cao, Lixin; Su, Ge; Gao, Rongjie; Yang, Hongzhan","A new member of ferrous sulfates, FeSO4·2H2O with PtS topology showing spin-canted long-range antiferromagnetic ordering","Journal of Solid State Chemistry","2015","231","","58","63","10.1016/j.jssc.2015.07.036","","","0.71073","MoKα","","0.0369","0.0359","","","0.1277","0.129","","","","","","1.046","","","","has coordinates","264122","2021-04-14","07:17:53",""
"1561936","10.252","0.003","13.228","0.003","20.553","0.005","90","","90","","90","","2787.3","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H22 N6 O13 Zn3 -","- C22 H20 N6 O12 Zn3 -","- C88 H80 N24 O48 Zn12 -","4","0.5","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.0816","0.0574","","","0.1681","0.1914","","","","","","1.096","","","","has coordinates","264310","2021-04-19","09:41:11",""
"1562562","7.4183","0.0004","32.1336","0.0018","7.259","0.0004","90","","90","","90","","1730.38","0.16","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H14 Cl6 Cu0.78 In0.22 N2 -","- C12 H14 Cl6 Cu0.781 In0.219 N2 -","- C48 H56 Cl24 Cu3.124 In0.876 N8 -","4","0.5","","Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I.","Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption","Chemical Science","2021","","","","","10.1039/D1SC01159F","","x-ray","0.71073","MoKα","","0.0908","0.0777","","","0.1388","0.1434","","","","","","1.215","","","","has coordinates,has disorder","265230","2021-05-15","00:46:37",""
"1563725","17.0811","0.0013","8.5611","0.0006","8.7654","0.0006","90","","90","","90","","1281.79","0.16","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Co N2 O6 P2 -","- C6 H18 Co N2 O6 P2 -","- C24 H72 Co4 N8 O24 P8 -","4","0.5","","Cheng, Chi-Chang; Chang, Wei-Kuo; Chiang, Ray-Kuang; Wang, Sue-Lein","Synthesis and structural characterization of two cobalt phosphites: 1-D (H3NC6H4NH3)Co(HPO3)2 and 2-D (NH4)2Co2(HPo3)3","Journal of Solid State Chemistry","2010","183","2","304","309","10.1016/j.jssc.2009.10.029","","","0.71073","MoKα","","0.0504","0.0295","","","0.0713","0.0763","","","","","","1.009","","","","has coordinates","266731","2021-06-28","09:17:12",""
"1564107","26.0566","0.0002","18.5354","0.0002","15.6738","0.0001","90","","90","","90","","7569.97","0.11","150.01","0.1","150.01","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","ZnFTzTz","","- C38 H30 F2 N6 O6 S3 Zn -","- C32 H16 F2 N4 O4 S3 Zn -","- C256 H128 F16 N32 O32 S24 Zn8 -","8","1","","Doheny, Patrick W.; Hua, Carol; Chan, Bun; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M","Substituent effects on through-space intervalence charge transfer in cofacial metal-organic frameworks.","Faraday discussions","2021","231","0","152","167","10.1039/d1fd00021g","","x-ray","1.54184","CuKα","","0.071","0.0653","","","0.2036","0.2099","","","","","","1.03","","","","has coordinates,has disorder","270452","2021-11-06","20:10:24",""
"1564808","18.4725","0.0012","19.8765","0.0013","8.9785","0.0006","90","","90","","90","","3296.6","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C39 H32 Cl2 N4 O -","- C39 H32 Cl2 N4 O -","- C156 H128 Cl8 N16 O4 -","4","0.5","","Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S.","Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines","The Journal of Physical Chemistry C","2021","125","36","19991","20002","10.1021/acs.jpcc.1c04933","","x-ray","0.71073","MoKα","","0.0562","0.0418","","","0.1028","0.1131","","","","","","1.033","","","","has coordinates,has disorder","269527","2021-10-04","01:24:55",""
"1565192","22.3522","0.0004","14.581","0.0003","18.1566","0.0004","90","","90","","90","","5917.6","0.2","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H52 Fe K N16 O16 -","- C54 H52 Fe K N16 O16 -","- C216 H208 Fe4 K4 N64 O64 -","4","0.5","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.1097","0.0678","","","0.1555","0.1816","","","","","","1.071","","","","has coordinates","270602","2021-11-11","23:16:37",""
"1565245","10.1795","0.0002","16.4812","0.0003","16.6731","0.0004","90","","90","","90","","2797.25","0.1","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H36 N6 Ni O4 -","- C28 H36 N6 Ni O4 -","- C112 H144 N24 Ni4 O16 -","4","0.5","","Nagar, Suryakant; Chatterjee, Sucheta; Goswami, Dibakar; Cordes, David B.; Slawin, A.M.Z.; Chauhan, Rohit Singh; Prabhu, Pradnya","Reactivity of nickel metal precursors towards amido linked N-heterocyclic carbenes and their catalytic studies for cross coupling reactions","Inorganica Chimica Acta","2020","504","","119446","","10.1016/j.ica.2020.119446","","","0.71073","MoKα","","0.0347","0.0275","","","0.0709","0.0736","","","","","","1.054","","","","has coordinates","270681","2021-11-16","09:42:49",""
"1566163","41.972","0.008","70.711","0.014","27.616","0.006","90","","90","","90","","81961","3","80","2","80","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C608 H384 F60 N96 O64 Pd8 Sb10 -","- C608 H384 F60 N96 O64 Pd8 Sb10 -","- C2432 H1536 F240 N384 O256 Pd32 Sb40 -","4","0.5","","Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H.","Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design","Chemical Science","2022","","","","","10.1039/D1SC06931D","","","0.6888","synchrotron","","0.1676","0.1294","","","0.3728","0.4034","","","","","","1.649","","","","has coordinates,has disorder","272259","2022-01-26","23:17:24",""
"1566417","19.004","0.006","23.285","0.007","36.829","0.012","90","","90","","90","","16297","9","110","2","110","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C154 H129 B30 Co3 N8 Nd O6 P6 -","- C154 H114 B30 Co3 N8 Nd O6 P6 -","- C616 H456 B120 Co12 N32 Nd4 O24 P24 -","4","0.5","","Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel","Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes","Chemical Science","2022","","","","","10.1039/D1SC07070C","","","0.71073","MoKα","","0.1308","0.0939","","","0.2423","0.275","","","","","","1.039","","","","has coordinates,has disorder","273167","2022-02-25","23:10:56",""
"1566825","23.8497","0.0009","21.8615","0.0007","7.9142","0.0003","90","","90","","90","","4126.4","0.3","201","40","201","40","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H23 N S -","- C26 H23 N S -","- C208 H184 N8 S8 -","8","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0987","0.0834","","","0.2097","0.2207","","","","","","1.068","","","","has coordinates","274584","2022-04-19","22:23:12",""
"1566849","20.1021","0.001","21.5505","0.0009","17.9807","0.0009","90","","90","","90","","7789.4","0.6","100.08","","100.08","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","","- C50 H38 Mn N5 O3 -","- C50 H38 Mn N5 O3 -","- C400 H304 Mn8 N40 O24 -","8","1","WM4162","Cao, Hongli; Wang, Junwen; Li, Jianfeng","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","IUCrData","2022","7","4","x220386","","10.1107/S2414314622003868","","","0.71073","MoKα","","0.0752","0.0495","","","0.1278","0.148","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","274656","2022-04-23","01:58:28",""
"1567085","9.9307","0.0003","17.6625","0.0006","22.0161","0.001","90","","90","","90","","3861.6","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H72 Cr2 Li4 O4 -","- C32 H72 Cr2 Li4 O4 -","- C128 H288 Cr8 Li16 O16 -","4","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0981","0.0619","","","0.1525","0.1775","","","","","","1.062","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567089","21.7236","0.0019","13.8308","0.0011","10.9428","0.0008","90","","90","","90","","3287.8","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(Z)-1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-one","","- C17 H23 B O3 -","- C17 H23 B O3 -","- C136 H184 B8 O24 -","8","1","","Cheng, Tairan; Liu, Boxiang; Wu, Rui; Zhu, Shifa","Cu-Catalyzed Carboboration of Acetylene with Michael Acceptors","Chemical Science","2022","","","","","10.1039/D2SC02306G","","x-ray","0.71073","MoKα","","0.0762","0.0543","","","0.1258","0.1415","","","","","","1.047","","","","has coordinates","275929","2022-06-08","22:16:49",""
"1568301","18.202","0.004","29.004","0.006","29.977","0.006","90","","90","","90","","15826","6","80","2","80","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C164 H130 N19 O15 Pd2 -","- C164 H130 N19 O15 Pd2 -","- C656 H520 N76 O60 Pd8 -","4","0.5","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1489","0.117","","","0.3686","0.4027","","","","","","1.462","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568542","13.263","0.0013","24.954","0.002","5.6399","0.0005","90","","90","","90","","1866.6","0.3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H9 Br N2 O2 -","- C8 H9 Br N2 O2 -","- C64 H72 Br8 N16 O16 -","8","1","","Ji, Peng; Meng, Xiang; Chen, Jing; Gao, Feng; Xu, Hang; Wang, Wei","Combining photoredox catalysis and hydrogen atom transfer for dearomative functionalization of electron rich heteroarenes.","Chemical science","2023","14","12","3332","3337","10.1039/d3sc00060e","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0473","","","","","","1.042","","","","has coordinates","282301","2023-04-04","10:03:18",""
"1568571","36.4809","0.0003","14.42217","0.00012","7.54283","0.00007","90","","90","","90","","3968.54","0.06","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H33 O3.5 -","- C23 H33 O3.5 -","- C184 H264 O28 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0409","0.0387","","","0.1024","0.1041","","","","","","1.045","","","","has coordinates","283190","2023-05-05","01:13:34",""
"1569425","16.0157","0.0005","16.9055","0.0006","8.2684","0.0002","90","","90","","90","","2238.7","0.12","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C96 H120 N16 O12 -","4","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0513","0.0432","","","0.1117","0.1168","","","","","","1.054","","","","has coordinates","284771","2023-07-04","03:58:51",""
"1569665","43.729","0.002","9.4992","0.0004","7.5184","0.0003","90","","90","","90","","3123.1","0.2","140","0.1","140","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N-(4-(1-Azido-4-phenylbut-3-yn-2-yl)phenyl)acetamide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0855","0.0552","","","0.1309","0.146","","","","","","1.041","","","","has coordinates,has disorder","286720","2023-10-05","23:53:25",""
"1570094","17.915","0.0008","22.4618","0.0009","25.0531","0.0008","90","","90","","90","","10081.4","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C47.25 H43.5 Cl2.5 F10 Ir N4 O4 -","- C47.262 H43.527 Cl2.5 F10 Ir N4 O4 -","- C378.096 H348.216 Cl20 F80 Ir8 N32 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.0918","0.0477","","","0.1185","0.1493","","","","","","1.066","","","","has coordinates,has disorder","289310","2024-02-04","10:57:35",""
"1570226","21.063","0.002","26.187","0.002","17.8488","0.0019","90","","90","","90","","9845","1.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- Co4 Fe2 H92 Na14 O114 W18 -","- Co4 Fe2 Na14 O114 W18 -","- Co16 Fe8 Na56 O456 W72 -","4","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.0819","0.0545","","","0.1078","0.1216","","","","","","1.199","","","","has coordinates","288749","2024-01-06","07:24:28",""
"1570727","34.5436","0.0018","8.1885","0.0005","8.2783","0.0005","90","","90","","90","","2341.6","0.2","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-[bis((4-bromophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Br2 Ge I4 N2 -","- C14 H18 Br2 Ge I4 N2 -","- C56 H72 Br8 Ge4 I16 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0697","0.0517","","","0.0847","0.0892","","","","","","1.359","","","","has coordinates","288962","2024-01-09","19:17:25",""
"1570730","34.1352","0.0009","8.1304","0.0002","8.3002","0.0002","90","","90","","90","","2303.58","0.1","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-[bis((4-chlorophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Cl2 Ge I4 N2 -","- C14 H18 Cl2 Ge I4 N2 -","- C56 H72 Cl8 Ge4 I16 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.54178","CuKα","","0.0456","0.0412","","","0.1079","0.1111","","","","","","1.061","","","","has coordinates","288965","2024-01-09","19:17:56",""
"1571360","14.2497","0.0002","36.7753","0.0005","14.495","0.0002","90","","90","","90","","7595.92","0.18","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34.5 H38 Cl N9 O5 -","- C34.5 H37 Cl N9 O5 -","- C276 H296 Cl8 N72 O40 -","8","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0893","0.0857","","","0.2538","0.2575","","","","","","1.202","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"2000123","17.092","","7.461","","6.154","","90","","90","","90","","784.779","","","","333","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C6 D4 I2 -","- C12 D8 I4 -","- C48 D32 I16 -","4","0.5","","Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi","Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations","Journal of Solid State Chemistry","1994","110","1","20","27","10.1006/jssc.1994.1129","","neutron","","","","","0.131","","","0.131","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000270","39.365","0.002","10.147","0.001","9.937","0.001","90","","90","","90","","3969.2","0.6","","","","","","","","","","","","4","P c c n","","","","","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C128 H192 N32 O64 -","16","2","MU0218","Główka, M. L.","Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III. Structures of diethyl <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl 4-oxo-4-ureido-2-butenoate","Acta Crystallographica Section C","1991","47","8","1680","1683","10.1107/S0108270190013932","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000315","8.886","0.008","15.025","0.007","11.928","0.005","90","","90","","90","","1592.5","1.7","","","","","","","","","","","","6","P c c n","","","","","","- C10 H10 Br2 Cu N8 O -","- C10 H10 Br2 Cu N8 O -","- C40 H40 Br8 Cu4 N32 O4 -","4","0.5","AB0165","van Albada, G. A.; de Graaff, R. A. G.; Haasnoot, J. G.; Schild, J.; Reedijk, J.","Structure of aquadibromobis(1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>3)copper(II), a one-dimensional alternating copper(II)^{···^} oxygen array","Acta Crystallographica Section C","1991","47","5","946","949","10.1107/S010827019001191X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000493","12.288","0.014","14.863","0.011","18.479","0.016","90","","90","","90","","3375","5","298","","","","","","","","","","","5","P c c n","-P 2ab 2ac","","","","","- C32 H44 Br N3 O4 -","- C36 H54 Br N3 O4 -","- C144 H216 Br4 N12 O16 -","4","0.5","MU1007","Elding, M.; Larsson, A.-K.; Svensson, G.; Albertsson, J.; Eberson, L.","Structure of a `hypervalent' linear bis(phthalimidato)bromate(I) complex","Acta Crystallographica Section C","1992","48","11","2078","2080","10.1107/S0108270192006164","","","0.71069","MoKα","","","0.063","","","0.069","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001155","8.758","0.002","26.749","0.005","17.32","0.003","90","","90","","90","","4057.5","1.4","294","1","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","CoBAMP","Bis(2,6-diaminomethylpyridine)Co(III)Trichloride Hemihydrate","","- C14 H22 Cl3 Co N6 O0.5 -","- C14 H22 Cl3.5 Co N6 O -","- C112 H176 Cl28 Co8 N48 O8 -","8","1","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.072","0.072","","0.117","0.117","","","","","1.83","1.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002962","10.4232","0.0001","17.6675","0.0002","7.5363","0.0001","90","","90","","90","","1387.82","0.03","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","aminoguanidinium(2+) hexafluorosilicate","","- C H8 F6 N4 Si -","- C H8 F6 N4 Si -","- C8 H64 F48 N32 Si8 -","8","1","BR0080","Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.","Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate","Acta Crystallographica Section B","1999","55","2","246","254","10.1107/S0108768198013044","","","1.5418","CuKα","","0.0268","0.0255","","","","0.0653","","","","","","1.146","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003402","16.154","0.003","16.483","0.006","11.454","0.006","90","","90","","90","","3050","2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","0.71069","MoKα","","","0.082","","","0.062","","","","","4.02","4.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003403","15.676","0.003","16.433","0.005","11.316","0.003","90","","90","","90","","2915","1.3","163","2","163","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","1.54178","CuKα","","","0.06","","","0.045","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003469","17.721","0.002","19.714","0.002","10.49","0.001","90","","90","","90","","3664.7","0.7","293","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,1-Dimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro1-silanaphtho- [1,2 c] furan","","- C17 H30 O Si2 -","- C17 H30 O Si2 -","- C136 H240 O8 Si16 -","8","1","KA1100","Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P.","<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K","Acta Crystallographica Section C","1995","51","5","891","892","10.1107/S0108270194012576","","","0.71073","MoKα","","0.0464","0.0361","","0.0927","0.0842","","","","1.068","1.063","1.063","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003495","22.41","0.03","20.76","0.02","9.195","0.006","90","","90","","90","","4278","8","293","","293","","","","","","","","from chemical synthesis","4","P c c n","-P 2ab 2ac","56","","(±)-3-methyl-1-diphenyl-2-butyl 3-acetamidobutanoate","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","PA1050","Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.","(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product","Acta Crystallographica Section C","1995","51","5","967","970","10.1107/S0108270193007383","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.05","1.05","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003677","15.685","0.007","25.364","0.009","7.579","0.004","90","","90","","90","","3015","2","143","","","","","","","","","","Ethanol","3","P c c n","-P 2ab 2ac","","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","KA1025","Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A.","Ethyl Pentaspiro[2.0.2.0.0.2.0.2.0.1]tetradeca-14-ylideneacetate, C~18~H~22~O~2~","Acta Crystallographica Section C","1995","51","7","1325","1327","10.1107/S0108270194013971","","","0.71073","MoKα","","","0.063","","","0.06","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004907","40.201","0.005","7.59","0.001","7.829","0.001","90","","90","","90","","2388.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Morpholinyl-3-tolylthiourea.","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C96 H128 N16 O8 S8 -","8","1","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.094","0.0507","","0.305","0.1396","","","","0.966","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005614","24.856","0.005","22.041","0.005","7.921","0.003","90","","90","","90","","4340","2","293","","293","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-en-1-one","","- C29 H22 O3 -","- C29 H22 O3 -","- C232 H176 O24 -","8","1","FG1122","Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R.","<i>cis</i>-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone","Acta Crystallographica Section C","1996","52","11","2936","2939","10.1107/S0108270196006944","","","0.7093","MoKα","","0.081","0.081","","0.058","0.058","","","","0.99","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005811","9.282","0.004","17.837","0.005","8.488","0.004","90","","90","","90","","1405.3","1","295","","295","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Cadmium dimethyl dithiophosphate","Bis(O,O'-dimethyl dithiophosphato)Cadmium(II)","","- C4 H12 Cd O4 P2 S4 -","- C4 H12 Cd O4 P2 S4 -","- C16 H48 Cd4 O16 P8 S16 -","4","0.5","OA1003","Ito, T.; Otake, M.","Linear-Chain Structure of Bis(<i>O</i>,<i>O</i>'-dimethyldithiophosphato)cadmium(II)","Acta Crystallographica Section C","1996","52","12","3024","3025","10.1107/S0108270196010463","","","0.71069","MoKα","","","0.0365","","","0.0545","","","","","2.375","2.375","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006111","14.637","0.003","16.46","0.002","6.629","0.002","90","","90","","90","","1597.1","0.6","296","","296","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 N O3 S -","- C7 H9 N O3 S -","- C56 H72 N8 O24 S8 -","8","1","","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. Structure of 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","","610","612","","","","","","","","0.058","","","0.038","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006826","18.9237","0.0002","18.9167","0.0002","8.7226","0.0001","90","","90","","90","","3122.46","0.06","143","","143","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-methane","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","HA1194","Bolte, Michael; Scholtyssik, Maria","A Tetragonal-Looking But Twinned Orthorhombic Structure","Acta Crystallographica Section C","1997","53","12","1869","1871","10.1107/S0108270197009438","","","0.71073","MoKα","","0.034","0.033","","0.092","0.091","","","","1.062","1.072","1.072","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007196","12.1045","0.001","21.6675","0.0012","21.1669","0.0014","90","","90","","90","","5551.5","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","[tris(2-(2-methoxyethoxy)ethyl)amine]potassium hexaiodotetracuprate(I)","","- C30 H66 Cu4 I6 K2 N2 O12 -","- C30 H66 Cu4 I5 K2 N2 O12 -","- C120 H264 Cu16 I20 K8 N8 O48 -","4","0.5","QB0033","Mague, Joel T.","Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I)","Acta Crystallographica Section C","1998","54","4","IUC9800010","","10.1107/S0108270198099776","","","0.71073","MoKα","","0.1039","0.0311","","0.0931","","0.0723","","","1.012","","","1.102","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007675","14.6727","0.0019","7.3876","0.0006","11.3348","0.0018","90","","90","","90","","1228.6","0.3","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","trimethylenediammonium bis(monohydrogenoxalate) monohydrate","","- C7 H16 N2 O9 -","- C7 H16 N2 O9 -","- C28 H64 N8 O36 -","4","0.5","SX1061","Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.","Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate","Acta Crystallographica Section C","1998","54","9","1347","1351","10.1107/S0108270198003734","","","0.71079","MoKα","","0.0538","0.0367","","","","0.108","","","","","","0.982","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007974","15.316","0.005","19.798","0.005","14.484","0.002","90","","90","","90","","4391.9","1.9","292","","292","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Magnesium Sulfate Hexaurea Hemihydrate","","- C6 H25 Mg N12 O10.5 S -","- C6 H25 Mg N12 O10.5 S -","- C48 H200 Mg8 N96 O84 S8 -","8","1","NA1345","Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova","Magnesium Sulfate Hexaurea Hemihydrate","Acta Crystallographica Section C","1998","54","12","1758","1760","10.1107/S0108270198007070","","","0.71073","MoKα","","","0.05","","","","0.063","","","","","","1.057","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2007996","19.856","0.003","21.45","0.004","7.228","0.005","90","","90","","90","","3078","2","294","2","294","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","3RS,4RS-2-Methyl-3,4-diphenylhex-5-en-3-ol","","- C19 H22 O -","- C19 H22 O -","- C152 H176 O8 -","8","1","OS1022","Rainer Sjöholm; Reijo Sillanpää","(3<i>RS</i>,4<i>RS</i>)-2-Methyl-3,4-diphenyl-5-hexen-3-ol","Acta Crystallographica Section C","1998","54","12","1999","2001","10.1107/S0108270198008609","","","0.71069","MoKα","","0.1127","0.053","","","","0.1481","","","","","","1.022","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008102","27.447","0.009","20.311","0.006","18.718","0.005","90","","90","","90","","10435","5","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","aquatetrakis[(4-chlorobenzoato)-μ~3~-(2-dimethylaminoethanolato)- copper(II)] hydrate","","- C44 H60 Cl4 Cu4 N4 O14 -","- C44 H60 Cl4 Cu4 N4 O14 -","- C352 H480 Cl32 Cu32 N32 O112 -","8","1","OS1032","Turpeinen, Urho; Hämälänen, Reijo; Mutikainen, Ilpo","Aquatetrakis[(4-chlorobenzoato)(μ~3~-2-dimethylaminoethanolato)copper(II)] hydrate","Acta Crystallographica Section C","1999","55","1","50","52","10.1107/S0108270198011457","","","0.71073","MoKα","","0.114","0.075","","","0.133","0.147","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009529","10.689","0.001","17.448","0.003","8.976","0.001","90","","90","","90","","1674","0.4","296","","296","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","bis(4-methoxyphenylmethyine)carbonic dihydrazide","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C68 H72 N16 O12 -","4","0.5","CR1083","Kolb, Vera M.; Robinson, Paul D.; Meyers, Cal Y.","Intermolecular hydrogen-bonded structure of bis(4-methoxyphenylmethine)carbonohydrazide","Acta Crystallographica Section C","1994","50","3","417","419","10.1107/S0108270193010078","","","0.71069","MoKα","","","0.045","","","0.057","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009894","21.122","0.003","20.705","0.006","11.61","0.007","90","","90","","90","","5077","3","294","","","","","","","","","","","6","P c c n","-P 2ab 2ac","","","","","- C54 H54 Fe N4 O10 P2 -","- C54 H54 Fe N4 O10 P2 -","- C216 H216 Fe4 N16 O40 P8 -","4","0.5","PA1063","Toupet, L.; Legrand, N.; Bondon, A.; Simonneaux, G.","[<i>meso</i>-5,10,15,20-Tetrakis(4-methoxyphenyl)porphinato]bis(trimethyl phosphito)iron(II)","Acta Crystallographica Section C","1994","50","7","1014","1016","10.1107/S0108270193011102","","","0.70926","MoKα","","","0.055","","","0.052","","","","","1.9","1.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010326","29.464","0.007","13.861","0.004","8.515","0.002","90","","90","","90","","3477.5","1.5","293","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","NA1085","Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo","Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O","Acta Crystallographica Section C","1994","50","12","2096","2098","10.1107/S0108270194004968","","","1.54178","CuKα","","","0.0564","","","0.0453","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010531","16.613","0.003","10.557","0.002","11.259","0.002","90","","90","","90","","1974.6","0.6","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","0.5","GD1069","Ejsmont, Krzysztof; Kyzioł, Janusz; Nowakowska, Ewa; Zaleski, Jacek","4,4,4',4',7,7'-Hexamethyl-2,2'-spirobichroman","Acta Crystallographica Section C","2000","56","1","93","94","10.1107/S0108270199013190","","","0.71073","MoKα","","0.075","0.046","","","","0.131","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010539","17.4144","0.0016","10.6767","0.001","15.2187","0.0014","90","","90","","90","","2829.6","0.5","168","2","168","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,2'-bis(4,4-diphenyl-2,5-cyclohexadienone)diselenide","2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","","- C36 H26 O2 Se2 -","- C36 H26 O2 Se2 -","- C144 H104 O8 Se8 -","4","0.5","JZ1370","Senthil Kumar, V. S.; Nangia, Ashwini; 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","Acta Crystallographica Section C","2000","56","1","123","124","10.1107/S0108270199012743","","","0.71073","MoKα","","0.038","0.031","","0.086","0.081","","","","1.06","1.093","1.093","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010907","16.9096","0.0017","18.351","0.002","8.35","0.002","90","","90","","90","","2591.1","0.7","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H40 O8 -","- C28 H40 O8 -","- C112 H160 O32 -","4","0.5","FG1578","Ellis, Dianne D.; Spek, Anthony L.","1,3:16,18-Bis(xylyl)-30-crown-8","Acta Crystallographica Section C","2000","56","5","596","597","10.1107/S010827010000250X","","","0.71073","MoKα(Zr-filtered)","","0.0584","0.0429","","","","0.1093","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011317","17.76","0.009","32.336","0.011","7.9664","0.0006","90","","90","","90","","4575","3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","9-(n-dodecylaminomethyl)anthracene","","- C27 H37 N -","- C27 H37 N -","- C216 H296 N8 -","8","1","GD1095","Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. dA.","C—H···π interactions in 9-(<i>n</i>-dodecylaminomethyl)anthracene","Acta Crystallographica Section C","2000","56","9","1136","1138","10.1107/S0108270100008441","","","1.54056","CuKα","","0.0792","0.0556","","","","0.1872","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011401","9.124","0.001","26.061","0.003","7.328","0.001","90","","90","","90","","1742.5","0.4","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","0.5","BM1420","Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.","A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","Acta Crystallographica Section C","2000","56","10","1277","1279","10.1107/S0108270100010337","","","0.6891","synchrotron","","0.075","0.057","","","","0.138","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012252","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","11","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","","0.71073","MoKα","","0.029","0.022","","","","0.051","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012253","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","20","","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","neutron","","pulsedneutron","","0.115","0.072","","","0.059","","","","1.58","","","1.439","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013006","9.7563","0.0003","28.5733","0.001","7.2263","0.0002","90","","90","","90","","2014.47","0.11","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","cis-transoid-cis dicyclohexano-18-crown-6","cis-transoid-cis 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^9,14^]hexacosane","","- C20 H36 O6 -","- C20 H36 O6 -","- C80 H144 O24 -","4","0.5","AV1116","Kravtsov, Victor Ch.; Fonari, Marina S.; Zaworotko, Michael J.; Lipkowski, Janusz","A new polymorph of <i>cis</i>‒<i>transoid</i>‒<i>cis</i>-dicyclohexano-18-crown-6","Acta Crystallographica Section C","2002","58","11","o683","o684","10.1107/S0108270102018206","","","0.71073","MoKα","","0.133","0.046","","","0.087","0.102","","","","","","0.895","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013243","10.4467","0.0009","15.4969","0.0013","7.6471","0.0006","90","","90","","90","","1238","0.18","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","zinc tellurium oxochloride","dizinc tellurium dichloride trioxide","","- Cl2 O3 Te Zn2 -","- Cl2 O3 Te Zn2 -","- Cl16 O24 Te8 Zn16 -","8","1","BC1017","Johnsson, Mats; Törnroos, Karl W.","A synthetic zinc tellurium oxochloride, Zn~2~(TeO~3~)Cl~2~","Acta Crystallographica Section C","2003","59","6","i53","i54","10.1107/S0108270103009715","","","0.71073","MoKα","","0.0175","0.0158","","","0.0382","0.0386","","","","","","1.255","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013493","25.248","0.002","7.1136","0.0007","13.1993","0.0009","90","","90","","90","","2370.6","0.3","293","1","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H20 Fe N6 O22 -","- C12 H20 Fe N6 O22 -","- C48 H80 Fe4 N24 O88 -","4","0.5","OB1127","Kazumasa Honda; Hiroshi Yamawaki; Makoto Matsukawa; Midori Goto; Takehiro Matsunaga; Katsutoshi Aoki; Masatake Yoshida; Shuzo Fujiwara","Hexaaquairon(II) dipicrate dihydrate","Acta Crystallographica Section C","2003","59","8","m319","m321","10.1107/S0108270103013301","","","0.7107","MoKα","","","0.0332","","","","0.0746","","","","","","1.272","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013581","15.469","0.003","20.644","0.004","7.997","0.004","90","","90","","90","","2553.8","1.5","120","2","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","N,N'-bis(pyrrol-2-ylmethylene)propane-1,2-diamine","","- C13 H16 N4 -","- C13 H16 N4 -","- C104 H128 N32 -","8","1","FG1708","Munro, Orde Q.; Camp, Greville L.","Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer","Acta Crystallographica Section C","2003","59","12","o672","o675","10.1107/S0108270103023230","","","0.71073","MoKα","","","0.046","","","","0.123","","","","","","1.101","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013663","18.8968","0.0004","18.8989","0.0004","8.7038","0.0002","90","","90","","90","","3108.38","0.12","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","NA1621","Low, John N.; Cobo, Justo; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section C","2003","59","12","o666","o668","10.1107/S0108270103023606","","","0.71073","MoKα","","0.0595","0.0466","","","0.1081","0.1163","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013702","12.1121","0.0005","22.6847","0.0009","11.873","0.0005","90","","90","","90","","3262.2","0.2","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Dihydroxydiphthalatotricobalt(II)","","- C16 H10 Co3 O10 -","- C16 H10 Co3 O10 -","- C128 H80 Co24 O80 -","8","1","TA1414","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Polymeric dihydroxydiphthalatotricobalt(II)","Acta Crystallographica Section C","2003","59","11","m456","m458","10.1107/S0108270103021425","","","0.71073","MoKα","","0.059","0.042","","","0.101","0.104","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014092","15.487","0.003","22.117","0.004","10.442","0.002","90","","90","","90","","3576.7","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis{μ-2-[3-(cyclohexylamino)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","","- C32 H48 Cl4 Cu2 N4 O2 -","- C32 H48 Cl4 Cu2 N4 O2 -","- C128 H192 Cl16 Cu8 N16 O8 -","4","0.5","AV1192","You, Zhong-Lu; Zhu, Hai-Liang","Bis{μ-2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","Acta Crystallographica Section C","2004","60","9","m445","m446","10.1107/S0108270104017718","","","0.71073","MoKα","","0.1394","0.0713","","","0.0883","0.1038","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014308","11.1709","0.0008","4.9674","0.0007","10.5987","0.0008","90","","90","","90","","588.13","0.1","290","","290","","","","","","","","","4","P c c n","-P 2ab 2ac","56","lead dizinc orthoborate","Lead zinc borate","","- B2 O6 Pb Zn2 -","- B2 O6 Pb Zn2 -","- B8 O24 Pb4 Zn8 -","4","0.5","BC1089","Chen, Xue-An; Zhao, Ying-Hua; Chang, Xin-An; Zhang, Li; Xue, Hai-Ping","Lead zinc borate, PbZn~2~(BO~3~)~2~","Acta Crystallographica Section C","2006","62","1","i11","i12","10.1107/S0108270105040709","","","0.71073","MoKα","","0.0605","0.0449","","","0.136","0.1449","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014311","19.014","0.003","6.8434","0.001","9.4203","0.0014","90","","90","","90","","1225.8","0.3","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[tetraaqua-μ~3~-malonato-malonatobarium(II)zinc(II)]","","- C6 H12 Ba O12 Zn -","- C6 H12 Ba O12 Zn -","- C24 H48 Ba4 O48 Zn4 -","4","0.5","BM1619","Guo Ming-Lin; Guo Chen-Hu","Poly[tetraaquadi-μ~4~-malonato-barium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","1","m7","m9","10.1107/S0108270105036358","","","0.71073","MoKα","","0.0275","0.0194","","","0.0429","0.0456","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015286","8.876","0.0003","17.31","0.0005","26.0798","0.001","90","","90","","90","","4007","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene acetone disolvate","","- C36 H32 N4 O14 S4 -","- C36 H32 N4 O14 S4 -","- C144 H128 N16 O56 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0387","0.0339","","","0.0815","0.084","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015902","21.423","0.003","9.515","0.001","15.613","0.002","90","","90","","90","","3182.6","0.7","290","2","290","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Naphthalene-1,7-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C160 H128 O32 -","16","2","GG3057","Marciniak, Bernard","Naphthalene-1,7-diol","Acta Crystallographica Section C","2007","63","4","o252","o254","10.1107/S0108270107009109","","","0.71073","MoKα","","0.068","0.039","","","0.0946","0.1229","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015983","11.0883","0.0019","26.405","0.005","6.801","0.0012","90","","90","","90","","1991.2","0.6","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","poly[[aquastrontium(II)]-μ~6~-4-nitrobenzene-1,3-dicarboxylato- κ^7^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^3^:\ <i>O</i>^3^,<i>O</i>^4^:<i>O</i>^4^]","","- C8 H5 N O7 Sr -","- C8 H5 N O7 Sr -","- C64 H40 N8 O56 Sr8 -","8","1","GA3050","Xiong, Li-Qin; Qi, Chuan-Min","A novel two-dimensional layered framework built of strontium(II) with 4-nitrobenzene-1,3-dicarboxylic acid","Acta Crystallographica Section C","2007","63","6","m246","m248","10.1107/S0108270107020100","","","0.71073","MoKα","","0.0515","0.0363","","","0.0751","0.0806","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016002","12.649","0.003","16.258","0.005","8.756","0.003","90","","90","","90","","1800.6","0.9","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(2-hydroxybenzohydroxamato)dioxouranium(VI) bihydrate","catena-poly[[[dioxouranium(VI)]-bis(μ-2-hydroxybenzohydroxamato)] dihydrate]","","- C14 H16 N2 O10 U -","- C14 H16 N2 O10 U -","- C56 H64 N8 O40 U4 -","4","0.5","LN3054","Roberto Centore; Gaetano De Tommaso; Mauro Iuliano; Angela Tuzi","An organouranium coordination polymer containing infinite metal oxide chains","Acta Crystallographica Section C","2007","63","6","m253","m255","10.1107/S0108270107019798","","","0.71073","MoKα","","0.0998","0.0364","","","0.0622","0.0743","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016263","17.2363","0.0005","8.5726","0.0002","8.8689","0.0002","90","","90","","90","","1310.47","0.06","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^O:O']]","","- C4 H20 Mn N4 O8 P2 -","- C4 H20 Mn N4 O8 P2 -","- C16 H80 Mn4 N16 O32 P8 -","4","0.5","HJ3053","Gaslain, Fabrice O. M.; Chippindale, Ann M.","<i>catena</i>-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^<i>O</i>:<i>O</i>']]: a one-dimensional manganese phosphate","Acta Crystallographica Section C","2007","63","11","m537","m540","10.1107/S0108270107048111","","","0.71073","MoKα","","0.0404","0.0262","","0.03","0.0261","0.0261","","","","","","1.0934","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016317","19.206","0.012","26.611","0.017","7.748","0.005","90","","90","","90","","3960","4","291","2","291","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","(3aS*,4S*,5S*,9R*,9aS*)-4-(acetyloxy)-9-[(acetyloxy)methyl]-2,2-dimethyl perhydrocycloocta[d][1,3]dioxol-5-yl acetate","(3aS*,4R*,8S*,9S*,9aS*)-8,9-diacetoxy-2,2-dimethylcyclooctano[d][1,3]dioxan- 4-ylmethyl acetate","","- C18 H28 O8 -","- C18 H28 O8 -","- C144 H224 O64 -","8","1","GA3073","Goverdhan Mehta; Saikat Sen; Kotapalli Pallavi","Packing in three cyclooctitol acetates","Acta Crystallographica Section C","2007","63","12","o726","o728","10.1107/S0108270107048664","","","0.71073","MoKa","","0.0604","0.0424","","","0.1036","0.1109","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016446","11.1815","0.0006","23.1582","0.0008","6.9066","0.0004","90","","90","","90","","1788.42","0.15","295","","295","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","3-carboxyanilinium iodide","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C56 H64 I8 N8 O16 -","8","1","LN3083","Dominik Cinčić; Branko Kaitner","Hydrogen-bonding motifs in 3-carboxyanilinium bromide and iodide","Acta Crystallographica Section C","2008","64","2","o101","o104","10.1107/S0108270108001078","","","0.71073","MoKα","","0.0382","0.0301","","","0.0714","0.0783","","","","","","1.248","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016857","16.2963","0.0002","23.3235","0.0005","7.4094","0.0007","90","","90","","90","","2816.2","0.3","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-phenylpropylammonium benzoate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","FG3065","Lemmerer, Andreas","The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules","Acta Crystallographica Section C","2008","64","12","o626","o629","10.1107/S0108270108036500","","","0.71073","MoKα","","","0.049","","","","0.1333","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016945","15.847","0.0002","22.2874","0.0003","22.5446","0.0003","90","","90","","90","","7962.49","0.18","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","poly[[[diaquacopper(II)]-di-μ-4,4'-bipyridyl] bis(3-carboxy-1-benzofuran-2-carboxylate) pentahydrate]","","- C40 H40 Cu N4 O17 -","- C40 H40 Cu N4 O17 -","- C320 H320 Cu8 N32 O136 -","8","1","DN3104","Koner, Rajesh; Goldberg, Israel","Square-grid coordination networks of diaquabis(4,4'-bipyridyl)copper(II) crosslinked by hydrogen bonds through two monoanions of 1-benzofuran-2,3-dicarboxylic acid and five molecules of water","Acta Crystallographica Section C","2009","65","2","m62","m65","10.1107/S0108270109000353","","","0.71073","MoKα","","0.105","0.065","","","0.1827","0.21","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017372","10.2861","0.0007","13.4443","0.0009","15.7523","0.0011","90","","90","","90","","2178.4","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidocuprate(II) dihydrate","","- C10 H12 Br8 Cu N2 O2 -","- C10 H12 Br8 Cu N2 O2 -","- C40 H48 Br32 Cu4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.0534","0.0328","","","0.0765","0.0875","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017373","10.6168","0.0007","13.5358","0.0009","15.6473","0.0011","90","","90","","90","","2248.6","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidocadmate(II) dihydrate","","- C10 H12 Br8 Cd N2 O2 -","- C10 H12 Br8 Cd N2 O2 -","- C40 H48 Br32 Cd4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.041","0.0271","","","0.0591","0.064","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017374","10.6328","0.0007","13.5144","0.0009","15.6141","0.0011","90","","90","","90","","2243.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidomercurate(II) dihydrate","","- C10 H12 Br8 Hg N2 O2 -","- C10 H12 Br8 Hg N2 O2 -","- C40 H48 Br32 Hg4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.0488","0.0311","","","0.063","0.0679","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018273","18.259","0.004","24.104","0.006","8.4301","0.0018","90","","90","","90","","3710.2","1.5","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>N</i>-(2,3,4,5,6-Pentafluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H12 F5 N O2 -","- C24 H12 F5 N O2 -","- C192 H96 F40 N8 O16 -","8","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.1369","0.0636","","","0.1317","0.1743","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018355","10.6655","0.0002","12.6641","0.0002","19.5145","0.0004","90","","90","","90","","2635.8","0.08","160","1","160","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","","- C27 H36 Au Cl N2 -","- C27 H36 Au Cl N2 -","- C108 H144 Au4 Cl4 N8 -","4","0.5","SK3424","Linden, Anthony; de Haro, Teresa; Nevado, Cristina","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","Acta Crystallographica Section C","2012","68","1","m1","m3","10.1107/S0108270111051365","","","0.71073","MoKα","","0.0474","0.0241","","","0.0427","0.0504","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018421","17.82","0.002","5.9357","0.0008","16.888","0.002","90","","90","","90","","1786.3","0.4","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dicaesium carbonate triperoxosolvate","Dicaesium carbonate hydrogen peroxide trisolvate","","- C H6 Cs2 O9 -","- C H6 Cs2 O9 -","- C8 H48 Cs16 O72 -","8","1","LG3077","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia","Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds","Acta Crystallographica Section C","2012","68","3","i20","i24","10.1107/S0108270112006701","","","0.71073","MoKα","","0.0218","0.0184","","","0.0452","0.0467","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019180","31.286","0.003","33.409","0.003","14.3488","0.0012","90","","90","","90","","14998","2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Al-complex","Tris(<i>N</i>,<i>N</i>'-diisopropylbenzimidamido)aluminium(III)","","- C39 H57 Al N6 -","- C39 H57 Al N6 -","- C624 H912 Al16 N96 -","16","2","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0819","0.0496","","","0.078","0.0866","","","","","","1.028","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019716","28.848","0.002","7.6951","0.0006","11.5552","0.0009","90","","90","","90","","2565.1","0.3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)]","","- C14 H10 O6 Pb -","- C14 H10 O6 Pb -","- C112 H80 O48 Pb8 -","8","1","FA3353","Xu, Xiao-Juan","A two-dimensional coordination polymer: poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)]","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023754","","","0.71073","MoKα","","0.039","0.0289","","","0.0649","0.0689","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019745","14.076","0.005","30.549","0.012","7.539","0.003","90","","90","","90","","3242","2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(<i>E</i>)-1-(4-Chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","","- C17 H14 Cl N5 O2 -","- C17 H14 Cl N5 O2 -","- C136 H112 Cl8 N40 O16 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.065","0.0382","","","0.086","0.093","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019803","15.104","0.001","15.1212","0.001","9.2948","0.0006","90","","90","","90","","2122.8","0.2","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Cytosine","4-Aminopyrimidin-2(1<i>H</i>)-one","","- C4 H5 N3 O -","- C4 H5 N3 O -","- C64 H80 N48 O16 -","16","2","CU3072","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","The first polymorph in the family of nucleobases: a second form of cytosine","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000492","","","0.71073","MoKα","","0.056","0.0515","","","0.1328","0.1362","","","","","","1.203","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019812","26.2042","0.0009","15.312","0.0005","16.793","0.0005","90","","90","","90","","6738","0.4","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II) dichloride chloroform pentasolvate","","- C59 H57 Cl17 P4 Pt -","- C59 H57 Cl17 P4 Pt -","- C236 H228 Cl68 P16 Pt4 -","4","0.5","GG2144","Anderson, Bradley G.; Hoyte, Sarah A.; Spencer, John L.","Crystal structure of bis[1,3-bis(diphenylphosphanyl)propane-κ2P,P′]platinum(II) dichloride chloroform pentasolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m37","","10.1107/S205698901500136X","","","0.71073","MoKα","","0.0602","0.0373","","","0.0661","0.0728","","","","","","1.195","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2020116","13.6864","0.0005","20.6309","0.0009","14.1328","0.0008","90","","90","","90","","3990.6","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(tetraethylammonium) dichloride dodecachlorohexasilane","","- C16 H40 Cl14 N2 Si6 -","- C16 H40 Cl14 N2 Si6 -","- C64 H160 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0597","0.0375","","","0.0645","0.0702","","","","","","1.016","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020451","15.083","0.003","27.563","0.004","8.8681","0.0013","90","","90","","90","","3686.8","1.1","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","<i>N</i>-Benzyl-7-methyl-2,3,7,8-tetrahydro-1<i>H</i>-\ pyrimido[5',4':6,7]azepino[3,2,1-<i>ij</i>]quinolin-9-amine","","- C23 H24 N4 -","- C23 H24 N4 -","- C184 H192 N32 -","8","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0651","0.0451","","","0.0951","0.1028","","","","","","1.048","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020513","21.6051","0.0016","23.7024","0.0018","8.9076","0.0006","90","","90","","90","","4561.5","0.6","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H27 N5 O5 -","- C23 H27 N5 O5 -","- C184 H216 N40 O40 -","8","1","","Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.","New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation","Acta Crystallographica Section B","2016","72","3","291","300","10.1107/S2052520616003607","","","0.71073","MoKα","","0.0685","0.0514","","","0.1404","0.169","","","","","","1.1","","","","has coordinates,has Fobs","183629","2020-10-21","18:00:00",""
"2020670","31.0109","0.0019","9.3651","0.0006","14.3551","0.0009","90","","90","","90","","4169","0.5","165","0.1","165","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0812","0.06","","","0.1499","0.1667","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020671","31.0133","0.0015","9.3657","0.0005","14.354","0.0007","90","","90","","90","","4169.3","0.4","166","0.1","166","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0775","0.0616","","","0.1447","0.1588","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020672","31.0259","0.0015","9.3706","0.0004","14.3567","0.0007","90","","90","","90","","4173.9","0.3","170","0.1","170","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0771","0.0609","","","0.1458","0.1613","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020673","31.3604","0.0017","9.5095","0.0005","14.4182","0.0008","90","","90","","90","","4299.8","0.4","300","0.1","300","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0825","0.0693","","","0.198","0.2189","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020843","9.1077","0.0007","13.5893","0.0011","19.476","0.0016","90","","90","","90","","2410.5","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","A646 (Breton2016)","4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","0.5","FN3238","Martin, Kenneth L.; Breton, Gary W.","Computational, ^1^H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617010786","","","0.71073","MoKα","","0.0492","0.0446","","","0.1195","0.1261","","","","","","1.041","","","","has coordinates,has Fobs","199556","2020-10-21","18:00:00",""
"2020894","12.6989","0.0004","13.0236","0.0006","14.1585","0.0005","90","","90","","90","","2341.61","0.15","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,2'-Methylenedihydrazinecarboximidamide dinitrate","2,8-Diamino-1,3,4,6,7,9-hexaazanona-1,8-diene-1,9-diium dinitrate","","- C3 H14 N10 O6 -","- C3 H14 N10 O6 -","- C24 H112 N80 O48 -","8","1","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.0832","0.0518","","","0.1003","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00",""
"2021021","19.5314","0.0012","12.7103","0.001","9.8189","0.0005","90","","90","","90","","2437.5","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Cytosinium 6-chloronicotinate","Cytosinium 6-chloropyridine-3-carboxylate","","- C10 H11 Cl N4 O4 -","- C10 H11 Cl N4 O4 -","- C80 H88 Cl8 N32 O32 -","8","1","OV3108","Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002462","","","0.71073","MoKα","","0.1064","0.0614","","","0.1572","0.184","","","","","","1.069","","","","has coordinates,has Fobs","206574","2020-10-21","18:00:00",""
"2021039","13.406","0.005","24.365","0.005","28.114","0.005","90","","90","","90","","9183","4","294","2","294","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate‒dimethylformamide‒water (1/1/4.25)","","- C41 H41.5 N11 Ni O9.25 S -","- C41 H33 N11 Ni O9.25 S -","- C328 H264 N88 Ni8 O74 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2171","0.086","","","0.2284","0.334","","","","","","0.845","","","","has coordinates,has disorder,has Fobs","206644","2020-10-21","18:00:00",""
"2021147","26.571","0.003","6.9074","0.0008","13.5152","0.0016","90","","90","","90","","2480.5","0.5","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Emoxypinium maleate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 3-carboxyprop-2-enoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.0444","0.0366","","","0.0947","0.101","","","","","","1.036","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021641","19.7143","0.0013","6.6047","0.0004","9.9924","0.0006","90","","90","","90","","1301.08","0.14","288","2","288","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,2-Bis(1-azabicyclo[2.2.2]oct-3-ylidene)hydrazine","","- C14 H22 N4 -","- C14 H22 N4 -","- C56 H88 N16 -","4","0.5","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.056","0.0411","","","0.1049","0.112","","","","","","1.072","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021696","13.9295","0.0007","17.8065","0.0009","7.1429","0.0004","90","","90","","90","","1771.69","0.16","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","1","UK3175","Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta","Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid","Acta Crystallographica Section C","2019","75","6","793","805","10.1107/S2053229619005990","","","0.71073","MoKα","","0.0325","0.0296","","","0.0776","0.0799","","","","","","1.001","","","","has coordinates,has Fobs","216712","2020-10-21","18:00:00",""
"2022779","11.5094","0.0009","13.9839","0.0008","9.4247","0.0005","90","","90","","90","","1516.87","0.17","213","2","213","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[bis(diaqualithium)]-μ~4~-3,3',5,5'-tetranitro-4,4'-bipyrazole-1,1'-diido]","","- C6 H8 Li2 N8 O12 -","- C6 H8 Li2 N8 O12 -","- C24 H32 Li8 N32 O48 -","4","0.5","PK2688","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald","catena-Poly[[bis(diaqualithium)]-μ4-3,3′,5,5′-tetranitro-4,4′-bipyrazole-1,1′-diido]: a new moisture-insensitive alkali-metal energetic salt with a well-defined network structure","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005339","","","0.71073","MoKα","","0.0468","0.0299","","","0.0697","0.0723","","","","","","0.88","","","","has coordinates,has Fobs","284687","2023-06-29","15:40:19",""
"2100532","13.2296","0.0006","21.0744","0.001","7.6898","0.0016","90","","90","","90","","2144","0.5","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","N-phenyl-2-chloronicotinamide","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C96 H72 Cl8 N16 O8 -","8","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0967","0.0594","","","0.1157","0.1285","","","","","","1.073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101992","13.7305","0.0005","14.9948","0.0006","19.4209","0.0009","90","","90","","90","","3998.5","0.3","294","1","294","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(2-aminoethyl)amine-4,4'-sulfonyldiphenol (1/3)","","- C40 H43 N3 O12 S3 -","- C40 H43 N3 O12 S3 -","- C160 H172 N12 O48 S12 -","4","0.5","NA0096","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Campana, Charles F.","Supramolecular chemistry of amine‒phenol adducts; novel three-dimensional framework structures in adducts of bis(2-aminoethyl)amine with 4,4'-sulfonyldiphenol, 1,1,1-tris(4-hydroxyphenyl)ethane and 3,5-dihydroxybenzoic acid, and in the methanol-solvated adduct of tris(2-aminoethyl)amine with 4,4'-biphenol","Acta Crystallographica Section B","2000","56","1","68","84","10.1107/S0108768199009714","","","0.7107","MoKα","","0.0646","0.0391","","","","0.1077","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102135","13.427","0.003","13.689","0.003","6.946","0.002","90","","90","","90","","1276.7","0.5","123","0.3","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71073","MoKα","","0.0673","0.0531","","0.1565","0.1439","","","","1.104","1.127","1.127","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102136","13.426","0.004","13.69","0.004","6.987","0.002","90","","90","","90","","1284.2","0.6","170","0.1","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71069","MoKα","","0.0471","0.04","","0.1181","0.1148","","","","1.04","1.087","1.087","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102137","13.466","0.004","13.691","0.004","7.053","0.002","90","","90","","90","","1300.3","0.7","180","0.2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71073","MoKα","","0.1421","0.0923","","0.2777","0.2356","","","","1.148","1.22","1.22","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102138","13.466","0.004","13.691","0.004","7.053","0.002","90","","90","","90","","1300.3","0.7","220","0.5","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71073","MoKα","","0.055","0.044","","0.1353","0.1307","","","","1.044","1.109","1.109","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102139","13.472","0.004","13.692","0.004","7.062","0.002","90","","90","","90","","1302.6","0.7","225","0.2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71073","MoKα","","0.1474","0.0912","","0.2724","0.2296","","","","1.171","1.248","1.248","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102140","13.472","0.004","13.692","0.004","7.09","0.002","90","","90","","90","","1307.8","0.7","239","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71073","MoKα","","0.1721","0.1069","","0.3291","0.2769","","","","1.258","1.346","1.346","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102141","13.492","0.004","13.692","0.004","7.091","0.002","90","","90","","90","","1309.9","0.7","240","0.2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71073","MoKα","","0.2831","0.1962","","0.4904","0.4352","","","","1.314","1.545","1.545","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102142","13.498","0.004","13.691","0.004","7.095","0.002","90","","90","","90","","1311.2","0.7","242","0.2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","2-methyl-1,3-cyclohexanedione","","","- C7 H10 O2 -","- C7 H10 O2 -","- C56 H80 O16 -","8","1","HR0044","Katrusiak, A.","Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals","Acta Crystallographica Section B","2000","56","5","872","881","10.1107/S0108768100005905","","","0.71073","MoKα","","0.2924","0.1859","","0.5103","0.4327","","","","1.288","1.48","1.48","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103184","15.533","","16.225","","7.932","","90","","89.97","","90","","1999.05","","","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Di-potassium trans-(dichloro-bis(glutarimidato)-palladium(II)) hydrate","","- C10 H21 Cl2 K2 N2 O8.5 Pd -","- C10 H22 Cl2 K2 N2 O9 Pd -","- C40 H88 Cl8 K8 N8 O36 Pd4 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103571","9.401","0.004","16.515","0.003","7.053","0.004","90","","90","","90","","1095","0.8","223.2","","223.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2,3,7,8-tetrahydro-benzo[1,2-b:4,5-b']bis[1,4]dithiin-5,10-dione","","- C10 H8 O2 S4 -","- C10 H8 O2 S4 -","- C40 H32 O8 S16 -","4","0.5","OA0031","Matsumoto, Shinya; Mizuguchi, Jin","Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition","Acta Crystallographica Section B","2001","57","1","82","87","10.1107/S0108768100014087","","","1.5418","CuKα","","0.0733","0.0733","","0.1165","","0.1041","","","1.381","","","1.491","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103572","9.758","0.002","16.846","0.002","7.981","0.002","90","","90","","90","","1311.9","0.5","296.2","","296.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:4,5-b']bis[1,4] dithiepin-6,12-dione","","- C12 H12 O2 S4 -","- C12 H12 O2 S4 -","- C48 H48 O8 S16 -","4","0.5","OA0031","Matsumoto, Shinya; Mizuguchi, Jin","Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition","Acta Crystallographica Section B","2001","57","1","82","87","10.1107/S0108768100014087","","","0.7107","MoKα","","0.0377","0.0377","","0.0724","","0.0659","","","1.051","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103933","9.5005","0.0004","22.6599","0.0016","14.4004","0.0007","90","","90","","90","","3100.1","0.3","293","","293","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C13 H24 N4 O4 -","- C13 H24 N4 O4 -","- C104 H192 N32 O32 -","8","1","NA5003","Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais","Structural phases of hexamethylenetetramine‒pimelic acid (1/1): a unified description based on a stacking model","Acta Crystallographica Section B","2003","59","4","527","536","10.1107/S0108768103011297","","","0.71073","MoKα","","0.084","0.0387","","","0.0917","0.1048","","","","","","1.29","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105475","13.4363","0.0009","20.3532","0.0013","9.8851","0.0006","90","","90","","90","","2703.3","0.3","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H32 N4 O3 P2 -","- C28 H32 N4 O3 P2 -","- C112 H128 N16 O12 P8 -","4","0.5","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","0.71073","MoKα","","0.0431","0.0357","","","0.0953","0.1007","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105691","8.2804","0.0014","28.818","0.005","7.2304","0.0012","90","","90","","90","","1725.4","0.5","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H10 K N O3 -","- C6 H10 K N O3 -","- C48 H80 K8 N8 O24 -","8","1","PS5030","Clegg, William; Tooke, Duncan M.","Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures","Acta Crystallographica Section B","2013","69","6","603","612","10.1107/S2052519213025980","","","0.71073","MoKα","","0.0663","0.0471","","","0.0907","0.0975","","","","","","1.105","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105819","14.895","0.003","8.106","0.003","13.285","0.003","90","","90","","90","","1604","0.8","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.134","0.0831","","","0.1377","0.1487","","","","","","1.242","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105820","14.895","0.003","8.122","0.003","13.288","0.003","90","","90","","90","","1607.5","0.8","187","2","187","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2293","0.1664","","","0.2593","0.2807","","","","","","1.346","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105821","15.782","0.003","8.424","0.003","13.32","0.003","90","","90","","90","","1770.9","0.8","210","2","210","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2284","0.1581","","","0.2352","0.2608","","","","","","1.385","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105822","15.782","0.003","8.235","0.003","13.319","0.003","90","","90","","90","","1731","0.8","240","2","240","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.1872","0.1283","","","0.1888","0.2068","","","","","","1.283","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105823","15.78","0.003","8.25","0.003","13.35","0.003","90","","90","","90","","1738","0.8","260","2","260","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.1422","0.079","","","0.1361","0.1547","","","","","","1.163","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105824","14.895","0.003","8.125","0.003","13.286","0.003","90","","90","","90","","1607.9","0.8","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.246","0.1715","","","0.3088","0.3368","","","","","","1.359","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105825","15.782","0.003","8.235","0.003","13.325","0.003","90","","90","","90","","1731.8","0.8","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2171","0.1916","","","0.337","0.3464","","","","","","1.544","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105826","15.782","0.003","8.262","0.003","13.35","0.003","90","","90","","90","","1740.7","0.8","280","2","280","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2113","0.1685","","","0.2455","0.259","","","","","","1.514","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105827","15.782","0.003","8.229","0.003","13.304","0.003","90","","90","","90","","1727.8","0.8","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2183","0.155","","","0.1785","0.194","","","","","","1.448","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105828","15.78","0.003","8.2","0.003","13.24","0.003","90","","90","","90","","1713.2","0.8","220","2","220","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2312","0.167","","","0.2841","0.3067","","","","","","1.404","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105829","15.782","0.0015","8.225","0.0015","13.298","0.0015","90","","90","","90","","1726.2","0.4","260","2","260","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.1448","0.1002","","","0.1493","0.1614","","","","","","1.294","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105830","15.782","0.003","8.242","0.003","13.32","0.003","90","","90","","90","","1732.6","0.8","280","2","280","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2244","0.1724","","","0.2741","0.2931","","","","","","1.418","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105831","15.782","0.0015","8.243","0.0015","13.31","0.0015","90","","90","","90","","1731.5","0.4","290","2","290","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.167","0.114","","","0.1556","0.1683","","","","","","1.298","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106198","6.557","","11.634","","9.464","","90","","90","","90","","721.953","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(H3 O)2 (H2 P2 O6)","","- H8 O8 P2 -","- H8 O8 P2 -","- H32 O32 P8 -","4","0.5","","Mootz, D.; Altenburg, H.","Kristallstrukturen von Saeurehydraten und Oxoniumsalzen. VI. Dioxonium-dihydrogenhypophosphat, (H3 O)2 (H2 P2 O6)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1520","1523","","","","","","","","","","","","","","","","","","","","","","has coordinates","147137","2020-10-21","18:00:00",""
"2106321","5.481","","13.588","","10.937","","90","","90","","90","","814.542","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(N2 H6)2 F2 (Ti F6)","","- F8 H12 N4 Ti -","- F8 H12 N4 Ti -","- F32 H48 N16 Ti4 -","4","0.5","","Golic, L.; Kojic-Prodic, B.; Kaucic, V.","Hydrazinium difluoride hexafluorotitanate(IV)","Acta Crystallographica B (24,1968-38,1982)","1980","36","","659","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106418","10.242","","7.793","","8.56","","90","","90","","90","","683.224","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Ba (H2 P O4)2","","- Ba H4 O8 P2 -","- Ba H4 O8 P2 -","- Ba4 H16 O32 P8 -","4","0.5","","Prelesnik, B.; Herak, R.; Curic, M.","The crystal structure of orthorhombic barium dihydrogenphosphate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108363","4.1239","0.0008","16.404","0.003","17.252","0.003","90","","90","","90","","1167.1","0.4","280","","280","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C68 H40 N8 -","4","0.5","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.0994","0.0425","","","0.0933","0.1185","","","","","","1.004","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108368","4.0741","0.0008","16.416","0.003","17.23","0.003","90","","90","","90","","1152.3","0.4","380","","380","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C16 H9 N3 -","- C16 H9 N3 -","- C64 H36 N12 -","4","0.5","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1582","0.0502","","","0.1083","0.1521","","","","","","0.932","","","","has coordinates,has disorder,has Fobs","213457","2020-10-21","18:00:00",""
"2200345","7.109","0.003","15.014","0.002","17.139","0.002","90","","90","","90","","1829.3","0.8","200","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Ag F6 P S2 -","- C18 H16 Ag F6 P S2 -","- C72 H64 Ag4 F24 P4 S8 -","4","0.5","TK6013","Wen, Ming; Munakata, Megumu; Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Yan, Sheng Gang","A bent two-coordinate silver(I) complex with 2,2',3,3'-tetrahydro-4,4'-dithia-1,1'-binaphylidene","Acta Crystallographica Section E","2001","57","6","m246","m247","10.1107/S1600536801007759","","","0.7107","MoKα","","","0.034","","","","0.079","","","","","","1.13","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200448","8.949","0.002","22.451","0.005","12.712","0.004","90","","90","","90","","2554","1.1","298","","298","","","","","","","","","4","P c c n","-P 2ab 2ac","56","Piperidinium p-nitrobenzoate","Piperidinium p-nitrobenzoate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C96 H128 N16 O32 -","8","1","CI6044","Moritani, Yoshimitsu; Takeda, Akihiko; Kashino, Setsuo","Piperidinium <i>p</i>-nitrobenzoate","Acta Crystallographica Section E","2001","57","8","o707","o708","10.1107/S1600536801010844","","","0.71073","MoKα","","0.15","0.057","","","","0.205","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200866","14.4368","0.0019","16.426","0.002","8.3834","0.0012","90","","90","","90","","1988","0.5","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,6-bis(1-benzimidazolyl)hexane trihydrate","","- C20 H28 N4 O3 -","- C20 H28 N4 O3 -","- C80 H112 N16 O12 -","4","0.5","CI6066","Cai, Yuepeng; Zhou, Zhongyuan; Qiu, Liqin; Kang, Beisheng; Chan, Albert S. C.","1,6-Bis(1-benzimidazolyl)hexane trihydrate","Acta Crystallographica Section E","2002","58","2","o167","o169","10.1107/S1600536802000752","","","0.71073","MoKα","","0.174","0.05","","","0.117","0.155","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201032","8.874","0.0005","11.2257","0.0005","15.7326","0.0008","90","","90","","90","","1567.23","0.14","290","2","290","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Bromo-2,4-dinitrobenzene","","- C6 H3 Br N2 O4 -","- C6 H3 Br N2 O4 -","- C48 H24 Br8 N16 O32 -","8","1","BT6132","Kruszynski, Rafal; Czestkowski, Wojciech","1-Bromo-2,4-dinitrobenzene","Acta Crystallographica Section E","2002","58","5","o481","o483","10.1107/S1600536802005718","","","0.71073","MoKα","","0.0271","0.027","","","0.0618","0.0619","","","","","","1.143","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2201210","9.9698","0.0004","15.6977","0.0004","9.9088","0.0008","90","","90","","90","","1550.76","0.15","223","2","170","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Di-n-butyltin(IV)glutarate polymer","","","- C13 H24 O4 Sn -","- C13 H24 O4 Sn -","- C52 H96 O16 Sn4 -","4","0.5","WW6019","Ramirez, Alejandro R.; Parvez, Masood; Ahmad, Viqar Uddin; Hussain, Javid; Hussain, Hidayat","Polymeric di-<i>n</i>-butyl(glutarato)tin(IV)","Acta Crystallographica Section E","2002","58","6","m278","m280","10.1107/S1600536802008164","","","0.71073","MoKα","","0.033","0.028","","","0.063","0.066","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201989","8.0259","0.0016","18.111","0.004","20.59","0.004","90","","90","","90","","2992.9","1.1","150","1","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,3-di(2,2':6',2''-terpyridin-4'-yl)benzene dichloromethane solvate","","- C37 H26 Cl2 N6 -","- C37 H26 Cl2 N6 -","- C148 H104 Cl8 N24 -","4","0.5","FL6024","Vaduvescu, Simona; Potvin, Pierre G.","1,3-Bis(2,2':6',2''-terpyridin-4'-yl)benzene, a new dinucleating bis(tridentate) ligand, as its dichloromethane solvate","Acta Crystallographica Section E","2003","59","4","o483","o484","10.1107/S1600536803005622","","","0.71073","MoKα","","0.0961","0.0632","","","0.1535","0.1753","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202392","16.2196","0.0004","18.2187","0.0004","10.0604","0.0002","90","","90","","90","","2972.85","0.11","150","1","150","1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Ethyl 7-oxo-4-phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carboxylate","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","BT6363","Tam, William; Lough, Alan J.; Jordan, Robert W.","Ethyl 7-oxo-4-phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carboxylate","Acta Crystallographica Section E","2003","59","11","o1685","o1686","10.1107/S1600536803022244","","","0.71073","MoKα","","0.0628","0.0413","","","0.1008","0.1127","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202672","22.123","0.005","24.203","0.003","6.676","0.004","90","","90","","90","","3575","2","296","","296","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","9-(meta-tert-Butylphenyl)-9-fluorenol","","- C23 H22 O -","- C23 H22 O -","- C184 H176 O8 -","8","1","LH6066","Meyers, Cal Y.; McLean, Aaron W.; Robinson, Paul D.","9-(<i>meta</i>-<i>tert</i>-Butylphenyl)-9-fluorenol","Acta Crystallographica Section E","2003","59","7","o978","o980","10.1107/S1600536803011954","","","0.71069","MoKα","","0.152","0.046","","","0.125","0.167","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202696","8.303","0.002","12.011","0.003","22.868","0.006","90","","90","","90","","2280.6","1","298","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H20 F2 O4 -","- C30 H20 F2 O4 -","- C120 H80 F8 O16 -","4","0.5","LH6094","Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi","<i>rac</i>-3,3'-Bis(4-fluorophenyl)-3,3'-dihydroxy-2,3,2',3'-tetrahydro-[2,2']biindenyl-1,1'-dione","Acta Crystallographica Section E","2003","59","9","o1261","o1262","10.1107/S1600536803016994","","","0.7107","MoKα","","","0.0542","","","","0.19","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202839","28.167","0.007","10.817","0.002","11.648","0.002","90","","90","","90","","3548.9","1.3","120","","120","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","cis-dichlorotetrakis(dimethyl sulfoxide)ruthenium(II)","","- C8 H24 Cl2 O4 Ru S4 -","- C8 H24 Cl2 O4 Ru S4 -","- C64 H192 Cl16 O32 Ru8 S32 -","8","1","OM6147","Srivastava, Radhey S.; Fronczek, Frank R.","Orthorhombic <i>cis</i>-dichlorotetrakis(dimethyl sulfoxide)ruthenium(II) at 120K","Acta Crystallographica Section E","2003","59","7","m427","m428","10.1107/S1600536803011577","","","0.71073","MoKα","","0.116","0.046","","","0.074","0.088","","","","","","0.949","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202901","19.021","0.004","7.5084","0.0014","9.4038","0.0016","90","","90","","90","","1343","0.4","146","2","146","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","acetamide","","- C2 H5 N O -","- C2 H5 N O -","- C32 H80 N16 O16 -","16","2","SU6043","Bats, Jan W.; Haberecht, Monika C.; Wagner, Matthias","A new refinement of the orthorhombic polymorph of acetamide","Acta Crystallographica Section E","2003","59","10","o1483","o1485","10.1107/S1600536803019494","","","0.71073","MoKα","","0.1092","0.0582","","","0.1036","0.1159","","","","","","1.111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203293","13.105","0.003","14.054","0.003","14.344","0.003","90","","90","","90","","2641.8","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis[(3-Amino-5-methyl-isoxazole)-N-]zinc(II)dichloride","","- C8 H12 Cl2 N4 O2 Zn -","- C8 H12 Cl2 N4 O2 Zn -","- C64 H96 Cl16 N32 O16 Zn8 -","8","1","DN6126","Liang Shen; Mei Chao Li; Zhi Min Jin; Mao Lin Hu; Ri Cheng Xuan","Bis(3-amino-5-methylisoxazole-κ<i>N</i>)dichlorozinc(II)","Acta Crystallographica Section E","2004","60","3","m330","m331","10.1107/S1600536804003939","","","0.71073","MoKα","","0.0834","0.0568","","","0.1503","0.1548","","","","","","1.24","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203428","11.9318","0.0018","14.152","0.002","9.0323","0.0014","90","","90","","90","","1525.2","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,3-Bis(2'-carboxyphenylamine)propane","2,2'-(Propane-1,3-diimino)dibenzoic acid","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","0.5","FL6087","Rabile, M. Mohamed; Huang, Huan; Ghosh, Dipesh; Van Horn, J. David; Powell, Doug R.","2,2'-(Propane-1,3-diimino)dibenzoic acid","Acta Crystallographica Section E","2004","60","4","o494","o496","10.1107/S1600536804004398","","","0.71073","MoKα","","0.0443","0.0416","","","0.1151","0.1179","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203640","8.9029","0.0002","9.4731","0.0003","18.0856","0.0002","90","","90","","90","","1525.3","0.06","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(Ethylenediamine-κ^2^N)(triethylenetetramine-κ^4^N)nickel hexafluorogermanate","","- C8 H26 F6 Ge N6 Ni -","- C8 H26 F6 Ge N6 Ni -","- C32 H104 F24 Ge4 N24 Ni4 -","4","0.5","NA6318","Guo-Ming Wang; Yan-Qiong Sun; Guo-Yu Yang","(Ethylenediamine-κ^2^<i>N</i>)(triethylenetetramine-κ^4^<i>N</i>)nickel hexafluorogermanate","Acta Crystallographica Section E","2004","60","5","m705","m707","10.1107/S1600536804009791","","","0.71073","MoKα","","0.0589","0.0534","","","0.1225","0.1259","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203834","22.203","0.001","17.877","0.001","18.487","0.001","90","","90","","90","","7337.9","0.7","296","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Iodo(1-methyl-2-mercaptoimidazole-κS)bis(triphenylphosphine-κP)copper(I)","","- C40 H36 Cu I N2 P2 S -","- C40 H36 Cu I N2 P2 S -","- C320 H288 Cu8 I8 N16 P16 S8 -","8","1","WW6196","Li, Dan; Luo, Ya-Fang; Wu, Tao; Ng, Seik Weng","Iodo(1-methyl-2-mercaptoimidazole-κ<i>S</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2004","60","6","m726","m727","10.1107/S1600536804010256","","","0.71073","MoKα","","0.086","0.052","","","0.106","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203942","7.332","0.003","15.185","0.005","17.37","0.006","90","","90","","90","","1933.9","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Dichlorobis(2-methylquinoline N-oxide-κO)copper(II)","","- C20 H18 Cl2 Cu N2 O2 -","- C20 H18 Cl2 Cu N2 O2 -","- C80 H72 Cl8 Cu4 N8 O8 -","4","0.5","SU6105","Victor B. Rybakov; Tatiana A. Semenova; Lyudmila A. Aleshina; Vladimir P. Andreev; Yakov P. Nizhnik; Vladimir V. Chernyshev","Dichlorobis(2-methylquinoline <i>N</i>-oxide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2004","60","7","m901","m903","10.1107/S1600536804012942","","","1.5418","CuKα","","0.1087","0.0425","","","0.048","0.0623","","","","","","0.879","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204111","15.202","0.005","11.241","0.004","12.268","0.004","90","","90","","90","","2096.4","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis(2-aminoethyl-1H-benzimidazole-κN^3^)chlorocopper(II) perchlorate","","- C18 H22 Cl2 Cu N6 O4 -","- C18 H22 Cl2 Cu N6 O4 -","- C72 H88 Cl8 Cu4 N24 O16 -","4","0.5","YA6212","Hai-Yan, Zhao; Xiao-Hang, Qiu; Pan-Wen, Shen","Bis(2-aminoethyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)chlorocopper(II) perchlorate","Acta Crystallographica Section E","2004","60","8","m1111","m1113","10.1107/S1600536804016332","","","0.71073","MoKα","","0.05","0.03","","","0.07","0.079","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204304","22.6083","0.0017","6.2232","0.0005","20.0394","0.0015","90","","90","","90","","2819.5","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(hydrogen 5-nitroisophthalato)(1,10-phenanthroline)lead(II) monohydrate","","- C28 H18 N4 O13 Pb -","- C28 H18 N4 O13 Pb -","- C112 H72 N16 O52 Pb4 -","4","0.5","CI6449","Hong-Ping Xiao; Ji-Xin Yuan","Bis(hydrogen 5-nitroisophthalato)(1,10-phenanthroline)lead(II) monohydrate","Acta Crystallographica Section E","2004","60","10","m1501","m1503","10.1107/S1600536804023189","","","0.71073","MoKα","","0.0295","0.021","","","0.051","0.0539","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204599","12.785","0.004","14.47","0.005","12.488","0.004","90","","90","","90","","2310.3","1.3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","2,3-Dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-1,4-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","0.5","YA6224","Hu, Qingping; Ma, Mingliang; Shi, Jixian; Li, Yan; Zhou, Hongyu","(2<i>RS</i>,3<i>RS</i>)-2,3-Dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-1,4-dione","Acta Crystallographica Section E","2004","60","11","o2101","o2102","10.1107/S1600536804026327","","","0.71073","MoKα","","0.073","0.042","","","0.099","0.12","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204838","7.4189","0.0018","25.667","0.006","5.9653","0.0015","90","","90","","90","","1135.9","0.5","174","2","174","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","4,4'-diiodobiphenyl","","- C12 H8 I2 -","- C12 H8 I2 -","- C48 H32 I8 -","4","0.5","AC6147","Britton, Doyle","4,4'-Diiodobiphenyl","Acta Crystallographica Section E","2005","61","1","o187","o188","10.1107/S1600536804033331","","","0.71073","MoKα","","0.022","0.02","","","0.042","0.042","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205010","21.232","0.002","15.89","0.002","6.9311","0.0008","90","","90","","90","","2338.4","0.5","93.2","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H16 N4 O4 -","- C34 H16 N4 O4 -","- C136 H64 N16 O16 -","4","0.5","BT6590","Hino, Kazuyuki; Sato, Kazuyuki; Takahashi, Hiroo; Suzuki, Shigeru; Mizuguchi, Jin","<i>N,N</i>'-Di-4-pyridylperylene-3,4:9,10-bis(dicarboximide)","Acta Crystallographica Section E","2005","61","2","o440","o441","10.1107/S1600536805002011","","","1.5418","CuKα","","","0.0737","","","","0.1475","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205013","20.61","0.004","12.246","0.002","12.907","0.003","90","","90","","90","","3257.6","1.1","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Aquabis(3,5-dicarboxybenzoato-κO)bis(hexamethylenetetramine-κN)nickel(II)","","- C30 H36 N8 Ni O13 -","- C30 H36 N8 Ni O13 -","- C120 H144 N32 Ni4 O52 -","4","0.5","BT6593","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","Aquabis(3,5-dicarboxybenzoato-κ<i>O</i>)bis(hexamethylenetetramine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2005","61","2","m392","m393","10.1107/S1600536805002424","","","0.71073","MoKα","","0.059","0.047","","","0.115","0.122","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205052","10.7048","0.0017","16.38","0.003","28.722","0.005","90","","90","","90","","5036.2","1.5","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","bis[μ-6,6'-di-tert-butyl-4,4'-dimethyl-2,2- (ethylenedithio)diphenolato]bis[methylaluminium(I)]","","- C50 H70 Al2 O4 S4 -","- C50 H70 Al2 O4 S4 -","- C200 H280 Al8 O16 S16 -","4","0.5","DN6188","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Okuda, Jun","A dimeric alkyl complex supported by an <i>O,S,S,O</i>-tetradentate diphenolate ligand","Acta Crystallographica Section E","2005","61","2","m221","m222","10.1107/S1600536804033793","","","0.71073","MoKα","","0.0464","0.041","","","0.1057","0.1094","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205333","12.5354","0.0007","12.6028","0.0007","14.312","0.0008","90","","90","","90","","2261","0.2","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2-[(2-Chloro-5-ethyl-3-pyridinyl)(hydroxy)methyl]acrylonitrile","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C88 H88 Cl8 N16 O8 -","8","1","OB6480","G. Y. S. K. Swamy; K. Ravikumar; P. Narender; V. Jayathirtha Rao","2-[(2-Chloro-5-ethyl-3-pyridinyl)(hydroxy)methyl]acrylonitrile","Acta Crystallographica Section E","2005","61","3","o708","o709","10.1107/S1600536805004563","","","0.71073","MoKα","","0.0464","0.0409","","","0.1219","0.1271","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206327","22.0779","0.0017","11.0552","0.0009","18.9962","0.0015","90","","90","","90","","4636.5","0.6","292","2","292","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,3:4,6-Bis(1,4-diphenylethynyl-2,3-xylylene)tetrahydro-3a,6a- bis(ethoxycarbonyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione","","- C58 H42 N4 O6 -","- C58 H42 N4 O6 -","- C232 H168 N16 O24 -","4","0.5","YA6247","Neng-Fang She; Hui-Zhen Guo; An-Xin Wu","1,3:4,6-Bis(1,4-diphenylethynyl-2,3-xylylene)tetrahydro-3a,6a-bis(ethoxycarbonyl)imidazo[4,5-<i>d</i>]imidazole-2,5(1<i>H</i>,3H)-dione, a molecular clip based on di(ethoxycarbonyl)glycoluril","Acta Crystallographica Section E","2005","61","7","o2003","o2004","10.1107/S1600536805017162","","","0.71073","MoKα","","0.101","0.062","","","0.155","0.174","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206610","22.485","0.005","12.361","0.003","12.56","0.003","90","","90","","90","","3490.9","1.4","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2,3-bis[(pyrimidin-2-ylsulfanyl)methyl]quinoxaline","","- C18 H14 N6 S2 -","- C18 H14 N6 S2 -","- C144 H112 N48 S16 -","8","1","YA6252","Ma, Zi-Chuan; Xian, Hong-Shi","2,3-Bis[(pyrimidin-2-ylsulfanyl)methyl]quinoxaline","Acta Crystallographica Section E","2005","61","8","o2746","o2747","10.1107/S1600536805023779","","","0.71073","MoKα","","0.052","0.035","","","0.089","0.096","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206698","9.9572","0.0018","12.819","0.002","15.061","0.003","90","","90","","90","","1922.4","0.6","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","catena-Poly[[[diaquacalcium(II)]-μ-oxydiacetato-[tetraaquamanganese(II)]- μ-oxydiacetato] dihydrate]","","- C8 H24 Ca Mn O18 -","- C8 H24 Ca Mn O18 -","- C32 H96 Ca4 Mn4 O72 -","4","0.5","HB6250","Qian Yang; Dong-Dong Lin; Duan-Jun Xu","<i>catena</i>-Poly[[[diaquacalcium(II)]-μ-oxydiacetato-[tetraaquamanganese(II)]-μ-oxydiacetato] dihydrate]","Acta Crystallographica Section E","2005","61","9","m1826","m1828","10.1107/S160053680502622X","","","0.71073","MoKα","","0.091","0.039","","","0.104","0.154","","","","","","0.869","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207208","22.2713","0.0012","11.9162","0.0006","17.2698","0.0009","90","","90","","90","","4583.2","0.4","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3,3,6,6-Tetramethyl-9-(2-oxo-1,2-dihydroquinolin-3-yl)- 1,2,3,4,5,6,7,8-octahydro-9H-xanthene-1,8-dione","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C208 H216 N8 O32 -","8","1","DN6258","S. Selvanayagam; Jasmin Paul; D. Velmurugan; K. Ravikumar; R. Rathna Durga","3,3,6,6-Tetramethyl-9-(2-oxo-1,2-dihydroquinolin-3-yl)-1,2,3,4,5,6,7,8-octahydro-9<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2005","61","11","o3701","o3703","10.1107/S1600536805032320","","","0.71073","MoKα","","0.0699","0.0496","","","0.1299","0.1446","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207350","17.932","0.004","7.4244","0.0015","15.067","0.003","90","","90","","90","","2005.9","0.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","catena-Poly[[triaquanickel(II)]-μ-5-hydroxyisophthalato]","","- C8 H10 Ni O8 -","- C8 H10 Ni O8 -","- C64 H80 Ni8 O64 -","8","1","SU6208","Sun, Xue-Hua","<i>catena</i>-Poly[[triaquanickel(II)]-μ-5-hydroxyisophthalato]","Acta Crystallographica Section E","2005","61","11","m2256","m2258","10.1107/S1600536805023962","","","0.71073","MoKα","","0.0354","0.0266","","","0.0682","0.0728","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207607","9.7257","0.0011","16.6879","0.0017","7.6056","0.0011","90","","90","","90","","1234.4","0.3","295","2","295","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1H-benzimidazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","NC6052","Sławomir Krawczyk; Maria Gdaniec","Polymorph β of 1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","12","o4116","o4118","10.1107/S1600536805036536","","","0.71073","MoKα","","0.0744","0.0531","","","0.1067","0.116","","","","","","1.174","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208177","10.1398","0.001","11.2092","0.001","13.8008","0.0012","90","","90","","90","","1568.6","0.2","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","trans-Dichlorobis(piperidine-1-carbonitrile)platinum(II)","","- C12 H20 Cl2 N4 Pt -","- C12 H20 Cl2 N4 Pt -","- C48 H80 Cl8 N16 Pt4 -","4","0.5","SU6263","Gushchin, Pavel V.; Bokach, Nadezhda A.; Haukka, Matti; Dmitrieva, Elena S.; Kukushkin, Vadim Yu.","<i>trans</i>-Dichlorobis(piperidine-1-carbonitrile)platinum(II)","Acta Crystallographica Section E","2006","62","2","m244","m246","10.1107/S1600536806000213","","","0.71073","MoKα","","0.058","0.0205","","","0.024","0.0289","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208379","9.6159","0.0003","20.6781","0.0007","8.3921","0.0002","90","","90","","90","","1668.67","0.09","83","2","83","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","adamantane-1,2-diol","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","1","LH6588","Mo Aung Myint; Price, Jason R.; Eng Wui Tan","Adamantane-1,2-diol","Acta Crystallographica Section E","2006","62","3","o1139","o1140","10.1107/S1600536806003734","","","0.71073","MoKα","","0.0781","0.0613","","","0.1644","0.1758","","","","","","1.033","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208492","9.7331","0.0014","14.943","0.002","16.111","0.002","90","","90","","90","","2343.2","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra- azacyclotetradecane)nickel(II) tetrachlorocuprate(II)","","- C16 H36 Cl4 Cu N4 Ni -","- C16 H36 Cl4 Cu N4 Ni -","- C64 H144 Cl16 Cu4 N16 Ni4 -","4","0.5","BD6021","Wei, Zai-Shan; Yu, Guang-Ming","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) tetrachlorocuprate(II)","Acta Crystallographica Section E","2006","62","4","m693","m695","10.1107/S1600536806006118","","","0.71073","MoKα","","0.0598","0.0394","","","0.0905","0.1024","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208587","18.3046","0.0017","7.392","0.0007","15.0771","0.0014","90","","90","","90","","2040","0.3","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","catena-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^O:O']","","- C8 H10 O8 Zn -","- C8 H10 O8 Zn -","- C64 H80 O64 Zn8 -","8","1","ER6038","Hong-Ping Xiao","<i>catena</i>-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","4","m731","m733","10.1107/S1600536806008063","","","0.71073","MoKα","","0.0615","0.0567","","","0.1045","0.1062","","","","","","1.311","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208588","18.3236","0.0012","7.3975","0.0005","15.0812","0.001","90","","90","","90","","2044.2","0.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","catena-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^O:O']","","- C8 H10 O8 Zn -","- C8 H10 O8 Zn -","- C64 H80 O64 Zn8 -","8","1","ER6040","Wang, Zuo-Wei; Li, Yi-Zhi; Cai, Ya; Zheng, He-Gen","<i>catena</i>-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","4","m734","m735","10.1107/S1600536806008075","","","0.71073","MoKα","","0.0415","0.0307","","","0.0627","0.0661","","","","","","0.954","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208616","29.215","0.005","7.856","0.005","17.051","0.005","90","","90","","90","","3913","3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","<i>trans</i>-Dichlorobis[tri(4-fluorophenyl)phosphine]palladium(II) toluene solvate","","- C43 H32 Cl2 F6 P2 Pd -","- C43 H32 Cl2 F6 P2 Pd -","- C172 H128 Cl8 F24 P8 Pd4 -","4","0.5","HG2024","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas; Janse van Rensburg, J. Marthinus","<i>trans</i>-Dichlorobis[tris(4-fluorophenyl)phosphine]palladium(II) toluene solvate","Acta Crystallographica Section E","2006","62","4","m894","m896","10.1107/S1600536806010579","","","0.71073","MoKα","","","0.0521","","","","0.15","","","","","","1.208","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210570","39.344","0.003","7.5684","0.0008","6.0571","0.0008","90","","90","","90","","1803.6","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5-(4-bromophenlyl)-1,3-oxazol-2-amine","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C72 H56 Br8 N16 O8 -","8","1","CV2126","Victor B. Rybakov; Vadim L. Alifanov; Eugene V. Babaev","5-(4-Bromophenyl)-1,3-oxazol-2-amine","Acta Crystallographica Section E","2006","62","10","o4746","o4747","10.1107/S1600536806038918","","","1.5418","CuKα","","0.0494","0.049","","","0.0911","0.0913","","","","","","1.034","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210876","34.945","0.005","17.307","0.005","17.778","0.005","90","","90","","90","","10752","5","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Carbonyl[tris(2,4-di-<i>tert</i>-butylphenyl)phosphite](8-hydroxyquinolinato) rhodium(I) acetone hemisolvate","","- C53.5 H72 N O5.5 P Rh -","- C53.5 H72 N O5.5 P Rh -","- C428 H576 N8 O44 P8 Rh8 -","8","1","BI2052","Janse van Rensburg, J. Marthinus; Roodt, Andreas; Muller, Alfred","Carbonyl(8-hydroxyquinolinato)[tris(2,4-di-<i>tert</i>-butylphenyl)phosphite]rhodium(I) acetone hemisolvate","Acta Crystallographica Section E","2006","62","11","m2978","m2980","10.1107/S1600536806040189","","","0.71073","MoKα","","","0.0389","","","","0.1295","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211029","23.601","0.005","10.798","0.002","14.698","0.003","90","","90","","90","","3745.7","1.3","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(E)-N'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide","","- C21 H18 N4 O5 -","- C21 H18 N4 O5 -","- C168 H144 N32 O40 -","8","1","HB2171","Diao, Chun-Hua; Yu, Ming","(<i>E</i>)-<i>N</i>'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","11","o5209","o5210","10.1107/S1600536806042954","","","0.71073","MoKα","","0.1264","0.054","","","0.1233","0.1532","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","201974","2020-10-21","18:00:00",""
"2211630","23.8908","0.0018","16.1042","0.0011","8.4622","0.0006","90","","90","","90","","3255.8","0.4","293","2","293","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","4-tert-butyl-1-naphthylcyclohexene","4-tert-butyl-1-(1-napthyl)cyclohexene","","- C20 H24 -","- C20 H24 -","- C160 H192 -","8","1","SJ2168","M. Periasamy; Sudha Soundirapandian; S. Athimoolam; A. Ponnusamy; S. Natarajan","4-<i>tert</i>-Butyl-1-(1-naphthyl)cyclohexene","Acta Crystallographica Section E","2006","62","12","o5670","o5672","10.1107/S1600536806048434","","","0.71073","MoKα","","0.1659","0.0631","","","0.1983","0.2591","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211640","11.251","0.01","14.86","0.014","12.396","0.012","90","","90","","90","","2072","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis(2-aminoethyl-1H-benzimidazole)chlorocopper(II) nitrate","","- C18 H22 Cl Cu N7 O3 -","- C18 H22 Cl Cu N7 O3 -","- C72 H88 Cl4 Cu4 N28 O12 -","4","0.5","TK2095","Hai-Yan Zhao; Min-Li Yang; Feng-Juan Shen","Bis(2-aminoethyl-1<i>H</i>-benzimidazole)chlorocopper(II) nitrate","Acta Crystallographica Section E","2006","62","12","m3343","m3344","10.1107/S1600536806046897","","","0.71073","MoKα","","0.075","0.038","","","0.091","0.106","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211694","11.308","0.002","16.736","0.003","10.325","0.002","90","","90","","90","","1954","0.6","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N,N'-(2-Hydroxy-3-methoxybenzyl)benzene-1,4-diamine","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","0.5","AT2160","H.-T. Xia; Y.-F. Liu; S.-P. Yang; D.-Q. Wang","<i>N</i>,<i>N</i>'-(2-Hydroxy-3-methoxybenzyl)benzene-1,4-diamine","Acta Crystallographica Section E","2007","63","1","o40","o41","10.1107/S1600536806049208","","","0.71073","MoKα","","0.1527","0.059","","","0.1415","0.2007","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212158","9.974","0.003","22.729","0.007","6.384","0.002","90","","90","","90","","1447.2","0.8","298","2","298","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","N,N'-Bis(2-aminobenzyl)ethane-1,2-diamine","","- C16 H22 N4 -","- C16 H22 N4 -","- C64 H88 N16 -","4","0.5","FL2086","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Nájera, Blanca; Elizondo, Perla; Cerda, Patricia","<i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diamine","Acta Crystallographica Section E","2007","63","2","o549","o550","10.1107/S1600536806056078","","","0.71073","MoKα","","0.0708","0.0523","","","0.1431","0.167","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212620","30.815","0.006","8.884","0.002","13.305","0.003","90","","90","","90","","3642.4","1.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-Acetyl-4-aminoquinoline","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C176 H160 N32 O16 -","16","2","KP2057","Lokaj, Jan; Kettmann, Viktor; Černuchová, Petra; Milata, Viktor; Fronc, Marek","3-Acetyl-4-aminoquinoline","Acta Crystallographica Section E","2007","63","3","o1164","o1166","10.1107/S1600536807004746","","","0.71073","MoKα","","0.1113","0.0633","","","0.2023","0.21","","","","","","0.98","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212694","15.571","0.002","18.482","0.003","8.3885","0.0012","90","","90","","90","","2414.1","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Chloro[2(N,N-dimethylamino)ethanol-κN][2-(N,N-dimethylamino)ethanolato- κ^2^N,O]palladium(II)","","- C8 H21 Cl N2 O2 Pd -","- C8 H21 Cl N2 O2 Pd -","- C64 H168 Cl8 N16 O16 Pd8 -","8","1","SJ2213","Hamid, Mazhar; Tahir, Asif Ali; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.","Chloro[2-(<i>N</i>,<i>N</i>-dimethylamino)ethanol-κ<i>N</i>][2-(<i>N</i>,<i>N</i>-dimethylamino)ethanolato-κ^2^<i>N</i>,<i>O</i>]palladium(II)","Acta Crystallographica Section E","2007","63","3","m728","m730","10.1107/S1600536807005016","","","0.71073","MoKα","","0.0431","0.0355","","","0.0867","0.0915","","","","","","1.188","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212924","12.162","0.002","23.153","0.004","8.5893","0.0014","90","","90","","90","","2418.6","0.7","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5,5-Trifluoro-N-(4-fluorophenyl)-4-hydroxypentanamide","","- C11 H11 F4 N O2 -","- C11 H11 F4 N O2 -","- C88 H88 F32 N8 O16 -","8","1","HK2195","Wan, Wen; Ma, Guo-Bin; Yuan, Zong-Qian; Li, Ming-Xing; Hao, Jian","5,5,5-Trifluoro-<i>N</i>-(4-fluorophenyl)-4-hydroxypentanamide","Acta Crystallographica Section E","2007","63","4","o1685","o1686","10.1107/S1600536807010422","","","0.71073","MoKα","","0.0661","0.0464","","","0.121","0.1381","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213174","23.218","0.002","8.4933","0.0007","9.2561","0.0008","90","","90","","90","","1825.3","0.3","299","2","299","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Methanesulfon-3-methylanilide","N-(3-Methylphenyl)methanesulfonamide","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C64 H88 N8 O16 S8 -","8","1","BT2331","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(3-Methylphenyl)methanesulfonamide","Acta Crystallographica Section E","2007","63","5","o2338","o2338","10.1107/S1600536807016443","","","1.5418","CuKα","","0.1096","0.0477","","","0.1057","0.124","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213246","15.444","0.003","13.65","0.003","13.627","0.003","90","","90","","90","","2872.7","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis(2-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')bis[methyl N-(3-pyridyl)carbamato-κ<i>N</i>]zinc(II)","","- C28 H24 Cl2 N4 O8 Zn -","- C28 H24 Cl2 N4 O8 Zn -","- C112 H96 Cl8 N16 O32 Zn4 -","4","0.5","CI2367","Maroszová, Jaroslava; Findoráková, Lenka; Györyvá, Katarína; Moncol, Jan; Melník, Milan","Bis(2-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')bis[methyl <i>N</i>-(3-pyridyl)carbamato-κ<i>N</i>]zinc(II)","Acta Crystallographica Section E","2007","63","5","m1520","m1520","10.1107/S1600536807019836","","","0.71069","MoKα","","0.0566","0.0372","","","0.0894","0.0964","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213267","12.014","0.007","18.533","0.008","7.411","0.003","90","","90","","90","","1650.1","1.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","catena-Poly[[[diaquadinitratocopper(II)]-μ-4,4'-bipyridine] hemihydrate]","","- C10 H13 Cu N4 O8.5 -","- C10 H12 Cu N4 O8.5 -","- C40 H48 Cu4 N16 O34 -","4","0.5","CV2233","Lin, Xu-Cong; Yin, Hua; Lin, Yun","<i>catena</i>-Poly[[[diaquadinitratocopper(II)]-μ-4,4'-bipyridine] hemihydrate]","Acta Crystallographica Section E","2007","63","5","m1467","m1468","10.1107/S1600536807019551","","","0.71073","MoKα","","0.0728","0.0487","","","0.1411","0.1569","","","","","","1.119","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213461","14.4793","0.001","17.8978","0.0013","14.3078","0.001","90","","90","","90","","3707.8","0.5","297","2","297","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis[1,3-bis(benzimidazol-2-yl)propane-κ^2^N,N']copper(II) dinitrate methanol solvate","","- C36 H40 Cu N10 O8 -","- C36 H40 Cu N10 O8 -","- C144 H160 Cu4 N40 O32 -","4","0.5","LH2363","Hu, Bo; Wang, Ming; Wang, Xiao-Yan; Song, Xue-Gang; Wang, Cheng-Gang","Bis[1,3-bis(benzimidazol-2-yl)propane-κ^2^<i>N</i>,<i>N</i>']copper(II) dinitrate methanol disolvate","Acta Crystallographica Section E","2007","63","5","m1416","m1416","10.1107/S1600536807018570","","","0.71073","MoKα","","0.0697","0.0517","","","0.1202","0.1298","","","","","","1.068","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2213910","13.4603","0.0014","15.8837","0.0019","9.204","0.0013","90","","90","","90","","1967.8","0.4","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-Poly[nickel(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato- κ^3^<i>N</i>,<i>O</i>:<i>O</i>')]","","- C20 H8 Cl4 N2 Ni O4 -","- C20 H8 Cl4 N2 Ni O4 -","- C80 H32 Cl16 N8 Ni4 O16 -","4","0.5","NG2259","Yun-Huai Zhang; Feng-Jing Wu; Xue-Ming Li; Mao-Chuan Zhu; Yun Gong","<i>catena</i>-Poly[nickel(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')]","Acta Crystallographica Section E","2007","63","6","m1557","m1557","10.1107/S160053680702082X","","","0.71073","MoKα","","0.0449","0.0309","","","0.0724","0.0853","","","","","","1.101","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214171","12.0793","0.0007","22.6156","0.0014","22.5499","0.0014","90","","90","","90","","6160.2","0.6","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Di-μ-diphenylphosphido-bis{chlorido[(mesitylmethyl)diphenylphosphine- κP]palladium(II)]}","","- C68 H66 Cl2 P4 Pd2 -","- C68 H66 Cl2 P4 Pd2 -","- C272 H264 Cl8 P16 Pd8 -","4","0.5","DN2205","Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg","Di-μ-diphenylphosphido-bis{chlorido[(mesitylmethyl)diphenylphosphine-κ<i>P</i>]palladium(II)}","Acta Crystallographica Section E","2007","63","7","m1989","m1989","10.1107/S1600536807030280","","","0.71073","MoKα","","0.0713","0.0311","","","0.0594","0.0644","","","","","","0.775","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214868","11.4194","0.0018","20.59","0.003","8.0325","0.0013","90","","90","","90","","1888.6","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(E)-N-(1,3-Oxazolidin-2-ylidene)benzamide","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C80 H80 N16 O16 -","8","1","TK2168","Hong-Gang An","(<i>E</i>)-<i>N</i>-(1,3-Oxazolidin-2-ylidene)benzamide","Acta Crystallographica Section E","2007","63","8","o3357","o3357","10.1107/S1600536807030772","","","0.71073","MoKα","","0.075","0.045","","","0.111","0.122","","","","","","0.91","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215075","13.7633","0.0016","14.454","0.0017","7.702","0.0009","90","","90","","90","","1532.2","0.3","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5-Bromothiophene-2-sulfonic acid","","- C4 H3 Br O3 S2 -","- C4 H3 Br O3 S2 -","- C32 H24 Br8 O24 S16 -","8","1","CV2285","Jian-Ping Liu; Yu-Bin Zheng","5-Bromothiophene-2-sulfonic acid","Acta Crystallographica Section E","2007","63","9","o3697","o3697","10.1107/S1600536807037208","","","0.71073","MoKα","","0.0554","0.0502","","","0.1288","0.1337","","","","","","1.081","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215181","14.4164","0.0015","35.646","0.004","8.5214","0.0008","90","","90","","90","","4379","0.8","183","1","183","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(Diphenyl sulfoxide)dimethyl(η^5^-pentamethylcyclopentadienyl)rhodium(III)","","- C24 H31 O Rh S -","- C24 H31 O Rh S -","- C192 H248 O8 Rh8 S8 -","8","1","IS2194","Andreas Decken; Annie Michaud; Sophie Mathiotte; Frédéric-Georges Fontaine","(Diphenyl sulfoxide)dimethyl(η^5^-pentamethylcyclopentadienyl)rhodium(III)","Acta Crystallographica Section E","2007","63","9","m2253","m2253","10.1107/S1600536807034204","","","0.71073","MoKα","","0.0686","0.0389","","","0.0902","0.0989","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215457","7.28","0.0015","14.678","0.003","27.368","0.006","90","","90","","90","","2924.4","1.1","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","3-Bromo-4-methoxybenzaldehyde 4-nitrophenylhydrazone","","- C14 H12 Br N3 O3 -","- C14 H12 Br N3 O3 -","- C112 H96 Br8 N24 O24 -","8","1","DN3064","Zhang, Chun-Xia; Yin, Zhi-Gang; Qian, Heng-Yu; Hu, Jie; Feng, Yu-Li","3-Bromo-4-methoxybenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section E","2007","63","10","o4165","o4165","10.1107/S1600536807046533","","","0.71073","MoKα","","0.1105","0.0911","","","0.1661","0.1756","","","","","","1.217","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215864","18.102","0.004","7.4538","0.0019","15.089","0.004","90","","90","","90","","2035.9","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","catena-Poly[[triaquacobalt(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato- κO^1^:O^3^]","","- C8 H10 Co O8 -","- C8 H10 Co O8 -","- C64 H80 Co8 O64 -","8","1","CV2314","Hu, Yue-hua; Li, Yi-Zhi; Zhang, Rui-Long; Wu, Jie-Ying","<i>catena</i>-Poly[[triaquacobalt(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato-κ<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2007","63","11","m2721","m2721","10.1107/S1600536807049288","","","0.71073","MoKα","","0.0708","0.0513","","","0.1075","0.1112","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216043","18.292","0.002","19.966","0.002","7.8479","0.0004","90","","90","","90","","2866.2","0.4","183","2","183","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N-Phenyl-2-(phenyliminomethyl)pyrrole-1-carboxamide","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C144 H120 N24 O8 -","8","1","LH2518","Imhof, Wolfgang","<i>N</i>-Phenyl-2-(phenyliminomethyl)pyrrole-1-carboxamide","Acta Crystallographica Section E","2007","63","11","o4265","o4265","10.1107/S1600536807048416","","","0.71073","MoKα","","0.1193","0.0414","","","0.0739","0.0823","","","","","","0.743","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216088","11.3975","0.0009","14.8905","0.0012","17.0136","0.0014","90","","90","","90","","2887.5","0.4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ- di-4-pyridylamine-κ^2^<i>N</i>:<i>N'</i>]","","- C12 H9 Co N5 S2 -","- C12 H9 Co N5 S2 -","- C96 H72 Co8 N40 S16 -","8","1","PK2052","Springsteen, Caleb H.; LaDuca, Robert L.","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ-di-4-pyridylamine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","11","m2705","m2705","10.1107/S1600536807049276","","","0.71073","MoKα","","0.1132","0.0638","","","0.1104","0.1253","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216091","7.5156","0.0015","16.161","0.003","17.654","0.004","90","","90","","90","","2144.2","0.8","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(N,N'-Bis(3-(salicylideneamino)propyl)ethane-1,2-diamine)iron(III) chloride","[2,2'-(2,6,9,13-Tetraazatetradeca-1,13-diene-1,14-diyl)diphenolato]iron(III) chloride","","- C22 H28 Cl Fe N4 O2 -","- C22 H28 Cl Fe N4 O2 -","- C88 H112 Cl4 Fe4 N16 O8 -","4","0.5","PR2016","Butcher, Ray J.; Pourian, Mohamad; Jasinski, Jerry P.","[2,2'-(2,6,9,13-Tetraazatetradeca-1,13-diene-1,14-diyl)diphenolato]iron(III) chloride","Acta Crystallographica Section E","2007","63","11","m2742","m2743","10.1107/S1600536807049999","","","0.71073","MoKα","","0.0803","0.0402","","","0.0944","0.1142","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216121","12.7385","0.0002","15.6542","0.0003","16.7194","0.0003","90","","90","","90","","3334.03","0.1","113","2","113","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","[1,2-Bis(diphenylphosphino)ethane]diiodidoplatinum(II) dichloromethane disolvate","","- C28 H28 Cl4 I2 P2 Pt -","- C28 H28 Cl4 I2 P2 Pt -","- C112 H112 Cl16 I8 P8 Pt4 -","4","0.5","SJ2365","Akella Sivaramakrishna; Hong Su; John R. Moss","[1,2-Bis(diphenylphosphino)ethane]diiodidoplatinum(II) dichloromethane disolvate","Acta Crystallographica Section E","2007","63","11","m2648","m2648","10.1107/S1600536807046636","","","0.71073","MoKα","","0.0446","0.029","","","0.0621","0.0677","","","","","","1.116","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216424","13.4864","0.0002","24.6003","0.0006","8.8726","0.0002","90","","90","","90","","2943.66","0.11","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2-Methoxy-<i>N</i>'-(morpholin-4-ylcarbothioyl)benzohydrazide hemihydrate","","- C13 H18 N3 O3.5 S -","- C13 H18 N3 O3.5 S -","- C104 H144 N24 O28 S8 -","8","1","DN2277","Singh, N. K.; Singh, Mamata; Srivastava, Ajay K.; Shrivastav, Anuraag; Sharma, R. K.","2-Methoxy-<i>N</i>'-(morpholin-4-ylcarbonothioyl)benzohydrazide hemihydrate","Acta Crystallographica Section E","2007","63","12","o4895","o4895","10.1107/S1600536807060515","","","0.71073","MoKα","","0.0636","0.0446","","","0.1084","0.1182","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216494","30.6872","0.0017","7.4261","0.0004","17.7703","0.001","90","","90","","90","","4049.6","0.4","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2-{3-[2-(2,6-Difluorobenzyloxy)phenyl]-1H-pyrazol-1-yl}-4,6-dimethoxypyrimidine","","- C22 H18 F2 N4 O3 -","- C22 H18 F2 N4 O3 -","- C176 H144 F16 N32 O24 -","8","1","HB2639","Yuanxiang Li; Chunping He","2-{3-[2-(2,6-Difluorobenzyloxy)phenyl]-1<i>H</i>-pyrazol-1-yl}-4,6-dimethoxypyrimidine","Acta Crystallographica Section E","2007","63","12","o4856","o4856","10.1107/S1600536807060278","","","0.71073","MoKα","","0.124","0.0632","","","0.1296","0.1516","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216728","17.421","0.004","9.5509","0.0019","9.6729","0.0019","90","","90","","90","","1609.4","0.6","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N-Benzylthioformamide","","- C8 H9 N S -","- C8 H9 N S -","- C64 H72 N8 S8 -","8","1","RK2054","Śmiszek-Lindert, Wioleta; Nowak, Maria; Kusz, Joachim","<i>N</i>-Benzylthioformamide","Acta Crystallographica Section E","2007","63","12","o4587","o4587","10.1107/S1600536807053767","","","0.71073","MoKα","","0.0579","0.0369","","","0.0966","0.1016","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216753","11.775","0.0006","12.4122","0.0006","32.621","0.002","90","","90","","90","","4767.7","0.4","134","2","134","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","tetra-tertiary butyl chromocene","Bis(η^5^-1,3-di-tert-butylcyclopentadienyl)chromium(II)","","- C26 H42 Cr -","- C26 H42 Cr -","- C208 H336 Cr8 -","8","1","SG2205","Schultz, Madeleine","Bis(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)chromium(II)","Acta Crystallographica Section E","2007","63","12","m3085","m3085","10.1107/S1600536807059491","","","0.71073","MoKα","","0.0966","0.0435","","","0.0985","0.1138","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217273","16.785","0.002","22.246","0.003","9.4791","0.0012","90","","90","","90","","3539.5","0.8","294","2","294","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-N-(3-methoxyphenyl)-2,2- dimethylcyclopropanecarboxamide","","- C16 H17 Cl F3 N O2 -","- C16 H17 Cl F3 N O2 -","- C128 H136 Cl8 F24 N8 O16 -","8","1","SF2011","Yan, Fan-Yong; Liu, Dong-Qing","(<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-<i>N</i>-(3-methoxyphenyl)-2,2-dimethylcyclopropanecarboxamide","Acta Crystallographica Section E","2008","64","1","o116","o116","10.1107/S1600536807063167","","","0.71073","MoKα","","0.1731","0.0769","","","0.1637","0.2355","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217318","13.5109","0.0014","15.964","0.002","9.2157","0.0016","90","","90","","90","","1987.7","0.5","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-Poly[cobalt(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato- κ^3^<i>N</i>,<i>O</i>:<i>O</i>')] ?","","- C20 H8 Cl4 Co N2 O4 -","- C20 H8 Cl4 Co N2 O4 -","- C80 H32 Cl16 Co4 N8 O16 -","4","0.5","SJ2456","Zequan Li; Fengjing Wu; Yun Gong; Yunhuai Zhang; Chenguang Bai","<i>catena</i>-Poly[cobalt(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')]","Acta Crystallographica Section E","2008","64","1","m227","m227","10.1107/S1600536807066755","","","0.71073","MoKα","","0.0489","0.0337","","","0.0751","0.0888","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217498","12.298","0.005","25.896","0.005","5.085","0.005","90","","90","","90","","1619.4","1.8","200","2","200","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","2,6-Diazidotoluene","","- C7 H6 N6 -","- C7 H6 N6 -","- C56 H48 N48 -","8","1","FJ2092","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias; Spieß, Gunnar","2,6-Diazidotoluene","Acta Crystallographica Section E","2008","64","2","o348","o348","10.1107/S160053680706744X","","","0.71073","MoKα","","0.0416","0.0299","","","0.0535","0.0613","","","","","","0.936","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217688","25.344","0.006","7.1625","0.0017","13.217","0.003","90","","90","","90","","2399.2","1","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Hexaaquamanganese(II) dipicrate dihydrate","","- C12 H20 Mn N6 O22 -","- C12 H20 Mn N6 O22 -","- C48 H80 Mn4 N24 O88 -","4","0.5","WW2104","Liu, Changying; Shi, Xiufang; Du, Bin; Wu, Chunli; Zhang, Mingjie","Hexaaquamanganese(II) dipicrate dihydrate","Acta Crystallographica Section E","2008","64","2","m270","m271","10.1107/S1600536807064276","","","0.71073","MoKα","","0.0616","0.0469","","","0.1437","0.1582","","","","","","1.105","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217796","12.0408","0.0016","24.273","0.003","7.0428","0.001","90","","90","","90","","2058.4","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","3-Benzyl-5-bromopyrazin-2(1H)-one","","- C11 H9 Br N2 O -","- C11 H9 Br N2 O -","- C88 H72 Br8 N16 O8 -","8","1","KP2155","Alen, Jo; Dobrzańska, Liliana","3-Benzyl-5-bromopyrazin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2008","64","3","o547","","10.1107/S1600536808003073","","","0.71073","MoKα","","0.0869","0.0513","","","0.1066","0.1204","","","","","","0.995","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218041","13.6159","0.0002","14.2585","0.0002","19.5732","0.0003","90","","90","","90","","3799.99","0.1","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(2,2'-Bipyridyl-κ^2^N,N')tetrakis(4-methylbenzoato-κO)manganese(II)","","- C42 H38 Mn N2 O8 -","- C42 H38 Mn N2 O8 -","- C168 H152 Mn4 N8 O32 -","4","0.5","BG2175","Song, Wen-Dong; Wang, Hao; Ma, De-Yun","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')tetrakis(4-methylbenzoato-κ<i>O</i>)manganese(II)","Acta Crystallographica Section E","2008","64","5","m677","","10.1107/S160053680800994X","","","0.71073","MoKα","","0.1087","0.047","","","0.107","0.1313","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218219","10.5446","0.0002","16.0928","0.0002","7.7242","0.0001","90","","90","","90","","1310.74","0.03","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","dizinc tellurium dibromide trioxide","","- Br2 O3 Te Zn2 -","- Br2 O3 Te Zn2 -","- Br16 O24 Te8 Zn16 -","8","1","PK2093","Zhang, Dong; Johnsson, Mats","Zn~2~(TeO~3~)Br~2~","Acta Crystallographica Section E","2008","64","5","i26","","10.1107/S1600536808011252","","","0.71073","MoKα","","0.0243","0.0219","","","0.0539","0.0548","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218242","29.605","0.004","9.4619","0.0012","20.534","0.003","90","","90","","90","","5752","1.4","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Hexakis(1H-imidazole-κN^3^)manganese(II) triaquatris(1H-imidazole-κN^3^)manganese(II) bis(naphthalene-1,4-dicarboxylate)","","- C51 H54 Mn2 N18 O11 -","- C51 H54 Mn2 N18 O11 -","- C204 H216 Mn8 N72 O44 -","4","0.5","SG2237","Li, Jun-Hua; Nie, Jing-Jing; Xu, Duan-Jun","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) triaquatris(1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) bis(naphthalene-1,4-dicarboxylate)","Acta Crystallographica Section E","2008","64","5","m729","","10.1107/S1600536808011677","","","0.71073","MoKα","","0.0626","0.0494","","","0.1271","0.1354","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218701","11.2862","0.0018","14.481","0.002","6.8864","0.0012","90","","90","","90","","1125.5","0.3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","3,6-Di-4-pyridyl-1,4-dihydro-1,2,4,5-tetrazine","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","0.5","GK2149","Wang, Hai; Dong, Hua-Ze; Lu, Ning; Zhu, Hai-Bin","3,6-Di-4-pyridyl-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2008","64","7","o1269","","10.1107/S160053680801742X","","","0.71073","MoKα","","0.0616","0.0504","","","0.1211","0.128","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218725","6.9497","0.0007","13.3774","0.0013","17.3195","0.0016","90","","90","","90","","1610.2","0.3","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Tetrachlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)","","- C12 H12 Cl4 N2 Pt -","- C12 H12 Cl4 N2 Pt -","- C48 H48 Cl16 N8 Pt4 -","4","0.5","HK2470","Hojjat Kashani, Leila; Amani, Vahid; Yousefi, Mohammad; Khavasi, Hamid Reza","Tetrachlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)","Acta Crystallographica Section E","2008","64","7","m905","m906","10.1107/S1600536808016796","","","0.71073","MoKα","","0.0474","0.038","","","0.0921","0.0969","","","","","","1.161","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219184","19.674","0.003","5.4097","0.0009","18.662","0.003","90","","90","","90","","1986.2","0.6","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4- methoxybenzylidene)cyclohexane-1,2-diamine","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","0.5","WK2089","Wang, Guo-Xi","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2008","64","8","o1647","","10.1107/S1600536808023751","","","0.71073","MoKα","","0.0996","0.0659","","","0.1378","0.1538","","","","","","1.118","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219343","29.301","0.007","9.297","0.002","20.381","0.005","90","","90","","90","","5552","2","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Hexakis(1H-imidazole-κN^3^)nickel(II) triaquatris(1H-imidazole-κN^3^)nickel(II) bis(naphthalene-1,4-dicarboxylate)","","- C51 H54 N18 Ni2 O11 -","- C51 H54 N18 Ni2 O11 -","- C204 H216 N72 Ni8 O44 -","4","0.5","HB2767","Li, Jun-Hua; Nie, Jing-Jing; Xu, Duan-Jun","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) triaquatris(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) bis(naphthalene-1,4-dicarboxylate)","Acta Crystallographica Section E","2008","64","9","m1108","m1109","10.1107/S1600536808024215","","","0.71073","MoKα","","0.1263","0.0557","","","0.1187","0.1397","","","","","","1.007","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219347","11.2612","0.0004","11.9948","0.0005","15.0754","0.0006","90","","90","","90","","2036.32","0.14","130","2","130","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(4,6-diaminopyrimidin-2-yl) disulfide dimethyl sufoxide disolvate","","- C12 H22 N8 O2 S4 -","- C12 H22 N8 O2 S4 -","- C48 H88 N32 O8 S16 -","4","0.5","HB2773","Papastavrou, Ephthymia; Shakhatreh, Saleh; Akrivos, Pericles D.; Gdaniec, Maria","Bis(4,6-diaminopyrimidin-2-yl) disulfide dimethyl sufoxide disolvate","Acta Crystallographica Section E","2008","64","9","o1724","","10.1107/S160053680802480X","","","0.71073","MoKα","","0.0399","0.0292","","","0.0722","0.0776","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2219591","13.01","0.003","17.59","0.004","8","0.0016","90","","90","","90","","1830.8","0.7","297","2","297","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N'-Propylisonicotinohydrazide","","- C9 H11 N3 O -","- C9 H11 N3 O -","- C72 H88 N24 O8 -","8","1","HB2787","Wang, Shu-Ye; Song, Xue-Ming; Duan, Li-Xiang","<i>N</i>'-Propylisonicotinohydrazide","Acta Crystallographica Section E","2008","64","10","o1880","","10.1107/S1600536808027955","","","0.71073","MoKα","","0.0882","0.0468","","","0.1226","0.1453","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219747","10.808","0.008","34.79","0.03","7.596","0.006","90","","90","","90","","2856","4","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","4-[3-(4-Nitrophenoxy)propoxy]aniline","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","AT2638","Zheng, Li-Mei; Wei, Xian; Peng, Xiao-Rong; Zeng, Jin-Ping; Zhang, Yun-Qian","4-[3-(4-Nitrophenoxy)propoxy]aniline","Acta Crystallographica Section E","2008","64","11","o2110","","10.1107/S1600536808032406","","","0.71073","MoKα","","0.0885","0.0464","","","0.1123","0.1258","","","","","","1.048","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2220072","21.672","0.003","6.8533","0.0008","19.86","0.003","90","","90","","90","","2949.7","0.7","291","2","291","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[[diaquabis(2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5- carbonitrile)copper(II)]-μ-sulfato] tetrahydrate]","","- C24 H30 Cu N6 O12 S -","- C24 H30 Cu N6 O12 S -","- C96 H120 Cu4 N24 O48 S4 -","4","0.5","BH2204","Niu, Cao-Yuan; Ning, Ai-Min; Feng, Chao-Ling; Dang, Yu-Li; Kou, Chun-Hong","<i>catena</i>-Poly[[[diaquabis(2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile)copper(II)]-μ-sulfato] tetrahydrate]","Acta Crystallographica Section E","2008","64","12","m1616","m1617","10.1107/S1600536808038919","","","0.71073","MoKα","","0.0461","0.0334","","","0.0828","0.0912","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220531","15.09","0.003","18.394","0.004","7.596","0.002","90","","90","","90","","2108.4","0.8","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","4-Methoxy-<i>N</i>-phenylaniline","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","HK2570","Krzymiński, Karol; Wera, Michał; Sikorski, Artur; Błażejowski, Jerzy","4-Methoxy-<i>N</i>-phenylaniline","Acta Crystallographica Section E","2009","65","1","o152","","10.1107/S1600536808039457","","","0.71073","MoKα","","0.1104","0.0444","","","0.1053","0.1306","","","","","","0.992","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220607","19.0846","0.0019","20.6555","0.0019","7.5148","0.0007","90","","90","","90","","2962.3","0.5","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[(μ-5,7-dihydroxy-4-oxo-2-phenyl-4<i>H</i>-chromene-8-\ sulfonato)potassium(I)]","","- C15 H9 K O7 S -","- C15 H9 K O7 S -","- C120 H72 K8 O56 S8 -","8","1","RZ2268","Liu, Bin; Yang, Bo-Lun","Poly[(μ-5,7-dihydroxy-4-oxo-2-phenyl-4<i>H</i>-chromene-8-sulfonato)potassium(I)]","Acta Crystallographica Section E","2009","65","1","m66","m67","10.1107/S1600536808041779","","","0.71073","MoKα","","0.0724","0.0439","","","0.1254","0.1518","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221453","10.718","0.002","23.638","0.005","9.0726","0.0018","90","","90","","90","","2298.6","0.8","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[diaquacobalt(II)]-bis(μ-3-carboxyadamantane-1-carboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^)]","","- C24 H34 Co O10 -","- C24 H34 Co O10 -","- C96 H136 Co4 O40 -","4","0.5","NG2552","Tang, Li-Ming; Xu, Jia-Hui; Han, Xiao-Yan; Xu, Wei","<i>catena</i>-Poly[[diaquacobalt(II)]-bis(<i>{μ</i>}-3-carboxyadamantane-1-carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)]","Acta Crystallographica Section E","2009","65","4","m375","","10.1107/S1600536809007387","","","0.71073","MoKα","","0.0409","0.0312","","","0.0815","0.0859","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221559","17.1288","0.0005","29.439","0.001","8.3518","0.0003","90","","90","","90","","4211.4","0.2","123","2","130","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Dimethyl (1,1'-binaphthyl-2,2'-dioxy)diacetate","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","XU2498","Mustafa, Asra; Shah, Muhammad Raza; Khatoon, Maimoona; Ng, Seik Weng","Dimethyl (1,1'-binaphthyl-2,2'-dioxy)diacetate","Acta Crystallographica Section E","2009","65","4","o911","","10.1107/S1600536809010824","","","0.71073","MoKα","","0.1193","0.0849","","","0.1809","0.1953","","","","","","1.23","","","","has coordinates,has disorder,has Fobs","201978","2020-10-21","18:00:00",""
"2222319","12.6317","0.0005","19.9697","0.0012","12.3703","0.0007","90","","90","","90","","3120.4","0.3","292","2","292","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[bis(4-carboxycyclohexanecarboxylato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]-μ-1,4-bis(imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C30 H36 Cd N4 O8 -","- C30 H36 Cd N4 O8 -","- C120 H144 Cd4 N16 O32 -","4","0.5","HB2986","Li, Bing-Bing; Xiao, Bo","<i>catena</i>-Poly[[bis(4-carboxycyclohexanecarboxylato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]-μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2009","65","7","m756","m757","10.1107/S1600536809021618","","","0.71073","MoKα","","0.1327","0.0524","","","0.1022","0.1204","","","","","","0.948","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222363","29.388","0.003","9.3275","0.0011","20.475","0.002","90","","90","","90","","5612.5","1","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) triaquatris(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) bis(naphthalene-1,4-dicarboxylate","","- C51 H54 Co2 N18 O11 -","- C51 H54 Co2 N18 O11 -","- C204 H216 Co8 N72 O44 -","4","0.5","HK2715","Nie, Jing-Jing; Li, Jun-Hua; Xu, Duan-Jun","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) triaquatris(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) bis(naphthalene-1,4-dicarboxylate)","Acta Crystallographica Section E","2009","65","7","m822","m823","10.1107/S1600536809023794","","","0.71073","MoKα","","0.0565","0.0393","","","0.0934","0.1003","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222552","15.7837","0.0005","21.0715","0.0007","9.5341","0.0003","90","","90","","90","","3170.91","0.18","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Methyl 3-[(1-adamantylcarbonyloxy)aminocarbonyl]propanoate","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C128 H184 N8 O40 -","8","1","BG2266","Liu, Joe; Clegg, Jack K.; Codd, Rachel","Methyl 3-[(1-adamantylcarbonyloxy)aminocarbonyl]propanoate","Acta Crystallographica Section E","2009","65","8","o1742","o1743","10.1107/S1600536809024210","","","0.71073","MoKα","","0.0928","0.0478","","","0.1137","0.1323","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223146","19.04539","0.00011","7.14668","0.00005","15.71068","0.00009","90","","90","","90","","2138.4","0.02","120","","120","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2-(2-Hydroxyethyl)-3-[(2-hydroxyethyl)imino]isoindolin-1-one","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C96 H112 N16 O24 -","8","1","LH2865","Urban, Jiří; Ludvík, Jiří; Fábry, Jan; Dušek, Michal; Fejfarová, Karla","2-(2-Hydroxyethyl)-3-[(2-hydroxyethyl)imino]isoindolin-1-one","Acta Crystallographica Section E","2009","65","9","o2092","o2093","10.1107/S1600536809030487","","","1.54184","CuKα","","0.0314","0.0288","","","0.0876","0.0884","","","","","","3.44","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223362","30.708","0.007","9.7927","0.0002","10.0203","0.0006","90","","90","","90","","3013.2","0.7","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","<i>N</i>-(adamantane-1-carbonyl)-<i>p</i>-methylbenzenamine","","- C18 H23 N O -","- C18 H23 N O -","- C144 H184 N8 O8 -","8","1","ER2072","SiMa, Weiwei","<i>N</i>-<i>p</i>-Tolyladamantane-1-carboxamide","Acta Crystallographica Section E","2009","65","10","o2452","","10.1107/S1600536809036101","","","0.71073","MoKα","","0.0996","0.073","","","0.1602","0.174","","","","","","1.164","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223541","11.649","0.004","17.023","0.006","8.349","0.003","90","","90","","90","","1655.6","1","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","<i>N</i>,<i>N</i>'-Bis(2-quinolylcarbonyl)hydrazine","","- C20 H14 N4 O2 -","- C20 H14 N4 O2 -","- C80 H56 N16 O8 -","4","0.5","RZ2361","Cheng, Hui-Min; Chen, Lang; Lu, Wei; Shen, Xuan; Zhu, Dun-Ru","<i>N</i>,<i>N</i>'-Bis(2-quinolylcarbonyl)hydrazine","Acta Crystallographica Section E","2009","65","10","o2526","","10.1107/S1600536809037842","","","0.71073","MoKα","","0.1258","0.0462","","","0.0952","0.1151","","","","","","0.953","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223726","12.72","0.003","21.101","0.003","24.795","0.005","90","","90","","90","","6655","2","295","2","295","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]cadmium(II) bis(hexafluoridophosphate) trihydrate","Bis{4'-[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin- 15-yl)methoxy]-2,2':6',2''-terpyridine}cadmium(II) bis(hexafluoridophosphate) trihydrate","","- C60 H68 Cd F12 N6 O15 P2 -","- C60 H68 Cd F12 N6 O15 P2 -","- C240 H272 Cd4 F48 N24 O60 P8 -","4","0.5","ER2073","Kurochkina, Nadezhda M.; Kuzovlev, Andrey S.; Puryaeva, Tamara P.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","Bis{4'-[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)methoxy]-2,2':6',2''-terpyridine}cadmium(II) bis(hexafluoridophosphate) trihydrate: a powder study","Acta Crystallographica Section E","2009","65","11","m1349","m1350","10.1107/S1600536809040926","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.6687","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2224091","16.4594","0.0003","16.768","0.0003","14.4526","0.0003","90","","90","","90","","3988.79","0.13","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Tetra-<i>n</i>-propylammonium acetate‒boric acid (1/1)","","- C14 H34 B N O5 -","- C14 H34 B N O5 -","- C112 H272 B8 N8 O40 -","8","1","XU2651","Yang, Yun-Xia; Li, Qi; Ng, Seik Weng","Tetra-<i>n</i>-propylammonium acetate‒boric acid (1/1)","Acta Crystallographica Section E","2009","65","11","o2958","","10.1107/S1600536809044225","","","0.71073","MoKα","","0.0831","0.0508","","","0.1488","0.1833","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224381","8.7985","0.0017","10.694","0.002","25.535","0.005","90","","90","","90","","2402.6","0.8","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[(2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc(II)]-μ-2,2'-oxydibenzoato- κ^2^<i>O</i>:<i>O</i>']","","- C29 H19 N3 O5 Zn -","- C29 H19 N3 O5 Zn -","- C116 H76 N12 O20 Zn4 -","4","0.5","NK2011","Gong, Hai-Yan; Bai, Yan; Liu, Wei","<i>catena</i>-Poly[[(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc(II)]-μ-2,2'-oxydibenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2009","65","12","m1589","","10.1107/S1600536809047679","","","0.71073","MoKα","","0.0634","0.0461","","","0.091","0.0979","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224502","7.6347","0.0002","15.7341","0.0004","18.6074","0.0004","90","","90","","90","","2235.22","0.09","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Tetrakis(2-aminopyrazine-κ<i>N</i>^4^)dichloridocobalt(II)","","- C16 H20 Cl2 Co N12 -","- C16 H20 Cl2 Co N12 -","- C64 H80 Cl8 Co4 N48 -","4","0.5","XU2656","Kang, Wei; Huo, Li-Hua; Gao, Shan; Ng, Seik Weng","Tetrakis(2-aminopyrazine-κ<i>N</i>^4^)dichloridocobalt(II)","Acta Crystallographica Section E","2009","65","12","m1502","","10.1107/S1600536809045309","","","0.71073","MoKα","","0.0293","0.025","","","0.0709","0.0738","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224738","11.465","0.002","15.141","0.003","20.007","0.004","90","","90","","90","","3473","1.2","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) octacyanidotungstate(V)","","- C38 H24 Co N14 W -","- C38 H24 Co N14 W -","- C152 H96 Co4 N56 W4 -","4","0.5","PV2237","Jun, Qian; Zhang, Chi","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) octacyanidotungstate(V)","Acta Crystallographica Section E","2010","66","1","m12","","10.1107/S1600536809051654","","","0.71073","MoKα","","0.0325","0.0261","","","0.0562","0.0592","","","","","","1.099","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224848","12.0661","0.0008","20.22","0.001","8.9398","0.0005","90","","90","","90","","2181.1","0.2","299","2","299","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","<i>N</i>-(3-Methylphenyl)succinamic acid","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","BQ2189","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut","<i>N</i>-(3-Methylphenyl)succinamic acid","Acta Crystallographica Section E","2010","66","2","o394","","10.1107/S1600536810001480","","","0.71073","MoKα","","0.0574","0.0445","","","0.1114","0.1207","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225052","19.1775","0.0013","10.6165","0.0007","11.3723","0.0008","90","","90","","90","","2315.4","0.3","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,2-Dichloro-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C88 H88 Cl16 N8 O16 -","8","1","LH2978","Ye, Fei; Fu, Ying; Zhao, Shuang","2,2-Dichloro-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone","Acta Crystallographica Section E","2010","66","2","o445","","10.1107/S1600536810002461","","","0.71073","MoKα","","0.0493","0.0395","","","0.1019","0.1096","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225635","7.5187","0.0007","18.2181","0.0017","5.5029","0.0005","90","","90","","90","","753.77","0.12","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","3,3'-bithiophene","","- C8 H6 S2 -","- C8 H6 S2 -","- C32 H24 S8 -","4","0.5","OM2327","Costa, José C. S.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Low, John Nicolson","3,3'-Bithiophene","Acta Crystallographica Section E","2010","66","4","o916","","10.1107/S1600536810010342","","","0.71073","MoKα","","0.0467","0.0385","","","0.0962","0.1011","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225857","14.923","0.003","24.329","0.005","8.7422","0.0017","90","","90","","90","","3174","1.1","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","<i>N</i>'-(2,3-Dimethoxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C136 H144 N16 O32 -","8","1","HB5386","Han, You-Yue; Zhao, Qiu-Rong","<i>N</i>'-(2,3-Dimethoxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","Acta Crystallographica Section E","2010","66","5","o1026","","10.1107/S1600536810012122","","","0.71073","MoKα","","0.0958","0.0674","","","0.16","0.1754","","","","","","0.92","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226696","17.499","0.0018","14.2788","0.0015","16.7045","0.0017","90","","90","","90","","4173.9","0.7","293","2","291","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis(4-aminobenzenesulfonato)triaquabis(1,10-phenanthroline)neodymium(III) nitrate tetrahydrate","","- C36 H42 N7 Nd O16 S2 -","- C36 H42 N7 Nd O16 S2 -","- C144 H168 N28 Nd4 O64 S8 -","4","0.5","TK2665","Ma, Peng; Huang, Miao-Ling; Chen, Kai-Han","Bis(4-aminobenzenesulfonato)triaquabis(1,10-phenanthroline)neodymium(III) nitrate tetrahydrate","Acta Crystallographica Section E","2010","66","7","m833","","10.1107/S1600536810023445","","","0.71073","MoKα","","0.0324","0.0257","","","0.0623","0.0656","","","","","","1.207","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227642","10.055","0.002","14.744","0.003","7.9518","0.0017","90","","90","","90","","1178.9","0.4","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[cadmium-bis(μ-<i>N</i>,<i>N</i>- dimethyldithiocarbamato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)]","","- C6 H12 Cd N2 S4 -","- C6 H12 Cd N2 S4 -","- C24 H48 Cd4 N8 S16 -","4","0.5","HY2367","Bing, Yue; Li, Xing; Zha, Meiqin; Lu, Yue","<i>catena</i>-Poly[cadmium-bis(μ-<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)]","Acta Crystallographica Section E","2010","66","11","m1500","","10.1107/S1600536810043977","","","0.71073","MoKα","","0.0206","0.0172","","","0.0415","0.044","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228854","21.6256","0.0005","25.3751","0.0007","7.123","0.0002","90","","90","","90","","3908.76","0.18","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Poly[[μ~2~-(1<i>Z</i>,N'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)- <i>N</i>'-(2-oxidobenzylidene-κ^2^<i>O</i>:<i>O</i>)acetohydrazidato- κ^2^<i>O</i>,<i>N</i>'](pyridine-κ<i>N</i>)copper(II)]","","- C21 H16 Cu N4 O2 S2 -","- C21 H16 Cu N4 O2 S2 -","- C168 H128 Cu8 N32 O16 S16 -","8","1","RK2250","Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.","Poly[[μ~2~-(1<i>Z</i>,<i>N</i>'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)-<i>N</i>'-(2-oxidobenzylidene-κ^2^<i>O</i>:<i>O</i>)acetohydrazidato-κ^2^<i>O</i>,<i>N</i>'](pyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2011","67","1","m11","","10.1107/S160053681004986X","","","0.71073","MoKα","","0.0614","0.0368","","","0.0787","0.0886","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228879","18.809","0.004","6.9224","0.0014","9.6849","0.0019","90","","90","","90","","1261","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[tetraaqua-di-μ~4~-malonato-barium(II)cadmium(II)]","","- C6 H12 Ba Cd O12 -","- C6 H12 Ba Cd O12 -","- C24 H48 Ba4 Cd4 O48 -","4","0.5","SJ5064","Guo, Ming-Lin; Gao, Wen-Jun; Luo, Cong-Cong; Liu, Long","Poly[tetraaqua-di-μ~4~-malonato-barium(II)cadmium(II)]","Acta Crystallographica Section E","2011","67","1","m23","m24","10.1107/S1600536810049780","","","0.71073","MoKα","","0.0639","0.0603","","","0.1594","0.1612","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229181","12.3275","0.0018","17.2","0.003","18.173","0.003","90","","90","","90","","3853.3","1.1","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","[μ-1,2-Bis(diphenylphosphanyl)-1,2-diethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)] tetrahydrofuran disolvate","","- C36 H46 Au2 Cl2 N2 O2 P2 -","- C36 H46 Au2 Cl2 N2 O2 P2 -","- C144 H184 Au8 Cl8 N8 O8 P8 -","4","0.5","PB2050","Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy","[μ-1,2-Bis(diphenylphosphanyl)-1,2-diethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)] tetrahydrofuran disolvate","Acta Crystallographica Section E","2011","67","2","m155","","10.1107/S1600536811000109","","","0.71073","MoKα","","0.0417","0.0256","","","0.0486","0.0519","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229679","13.9502","0.0008","32.2588","0.0017","6.9728","0.0003","90","","90","","90","","3137.9","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-[2-(Benzylsulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","1","HG2799","Nasir, Waqar; Munawar, Munawar Ali; Nadeem, Sohail; Amjad, Rana; Adnan, Ahmad","4-[2-(Benzylsulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","4","o848","","10.1107/S1600536811008178","","","0.71073","MoKα","","0.097","0.0552","","","0.1533","0.1829","","","","","","0.998","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229788","15.6741","0.0006","17.7531","0.0007","7.3608","0.0003","90","","90","","90","","2048.24","0.14","125","2","125","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","4-Bromo-<i>N</i>-phenylaniline","","- C12 H10 Br N -","- C12 H10 Br N -","- C96 H80 Br8 N8 -","8","1","OM2415","Hefter, Emily J.; Tanski, Joseph M.","4-Bromo-<i>N</i>-phenylaniline","Acta Crystallographica Section E","2011","67","4","o976","","10.1107/S160053681101052X","","","0.71073","MoKα","","0.0554","0.0429","","","0.1108","0.1183","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230334","7.1056","0.0009","11.3608","0.0015","15.3334","0.0019","90","","90","","90","","1237.8","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaqua(2,2'-bipyridine-6,6'-dicarboxylato)nickel(II)","","- C12 H10 N2 Ni O6 -","- C12 H10 N2 Ni O6 -","- C48 H40 N8 Ni4 O24 -","4","0.5","HB5864","Hu, Shui; Wen, ShiPeng; Hu, Huai-Ming; Liu, Li","Diaqua(2,2'-bipyridine-6,6'-dicarboxylato)nickel(II)","Acta Crystallographica Section E","2011","67","6","m718","","10.1107/S1600536811016400","","","0.71073","MoKα","","0.0386","0.0322","","","0.0784","0.0816","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230457","11.4124","0.0015","13.5097","0.0018","18.606","0.002","90","","90","","90","","2868.6","0.6","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","{<i>N</i>,<i>N</i>'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-<i>o</i>- phenylene]bis(quinoline-2-carboxamidato)}copper(II)","","- C34 H24 Cu N4 O2 S2 -","- C34 H24 Cu N4 O2 S2 -","- C136 H96 Cu4 N16 O8 S8 -","4","0.5","QK2010","Meghdadi, Soraia; Mirkhani, Valiollah; Ford, Peter C.","{<i>N</i>,<i>N</i>'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-<i>o</i>-phenylene]bis(quinoline-2-carboxamidato)}copper(II)","Acta Crystallographica Section E","2011","67","6","m820","m821","10.1107/S1600536811019581","","","0.71073","MoKα","","0.051","0.0412","","","0.1126","0.1192","","","","","","1.223","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230592","7.1399","0.0019","11.757","0.003","13.508","0.004","90","","90","","90","","1133.9","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)zinc","","- C8 H10 N4 O6 Zn -","- C8 H10 N4 O6 Zn -","- C32 H40 N16 O24 Zn4 -","4","0.5","CV5098","Shuai, Wenlin; Cai, Songliang; Zheng, Shengrun","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)zinc","Acta Crystallographica Section E","2011","67","7","m897","","10.1107/S1600536811020800","","","0.71073","MoKα","","0.0271","0.0229","","","0.0639","0.0662","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230623","10.0973","0.0002","17.4145","0.0004","7.0564","0.0001","90","","90","","90","","1240.79","0.04","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","5-Aminopentan-1-ol","5-Aminopentan-1-ol","","- C5 H13 N O -","- C5 H13 N O -","- C40 H104 N8 O8 -","8","1","EZ2250","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","5-Aminopentan-1-ol","Acta Crystallographica Section E","2011","67","7","o1841","","10.1107/S1600536811024731","","","0.71073","MoKα","","0.0339","0.0317","","","0.0856","0.0885","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231027","13.021","0.0006","24.8832","0.001","7.9478","0.0003","90","","90","","90","","2575.12","0.19","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1-(Benzyloxy)naphthalene","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","BV2185","Venkatesan, Perumal; Arunadevi, S.; Mohamed, M. I. Fazal; Ilangovan, Andivelu","1-(Benzyloxy)naphthalene","Acta Crystallographica Section E","2011","67","8","o1924","o1925","10.1107/S1600536811025219","","","0.71073","MoKα","","","0.0386","","","","0.0986","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231660","16.4467","0.0007","22.1873","0.0009","8.1033","0.0004","90","","90","","90","","2957","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2-(1-Adamantyl)-1-(3-aminophenyl)ethanol","","- C18 H25 N O -","- C18 H25 N O -","- C144 H200 N8 O8 -","8","1","PK2344","Rouchal, Michal; Kozubková, Zuzana; Nečas, Marek; Vícha, Robert","2-(1-Adamantyl)-1-(3-aminophenyl)ethanol","Acta Crystallographica Section E","2011","67","9","o2515","","10.1107/S1600536811034763","","","0.71073","MoKα","","0.0564","0.0318","","","0.065","0.0679","","","","","","0.85","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232246","5.4292","0.0009","26.496","0.003","14.818","0.002","90","","90","","90","","2131.6","0.5","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,1'-[<i>m</i>-Phenylenebis(nitrilomethanylylidene)]dinaphthalen-2-ol‒1,1'- [<i>m</i>-phenylenebis(iminomethanylylidene)]dinaphthalen-2(1<i>H</i>)-one (0.58/0.42)","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","0.5","FY2025","Blagus, Anita; Kaitner, Branko","1,1'-[<i>m</i>-Phenylenebis(nitrilomethanylylidene)]dinaphthalen-2-ol‒1,1'-[<i>m</i>-phenylenebis(iminomethanylylidene)]dinaphthalen-2(1<i>H</i>)-one (0.58/0.42)","Acta Crystallographica Section E","2011","67","11","o2908","o2909","10.1107/S1600536811040918","","","0.71073","MoKα","","0.0721","0.0591","","","0.1545","0.1658","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232457","13.69","0.0013","7.9611","0.0007","9.9042","0.001","90","","90","","90","","1079.43","0.18","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(Furan-2-yl)[(furan-2-yl)carbonyldisulfanyl]methanone","","- C10 H6 O4 S2 -","- C10 H6 O4 S2 -","- C40 H24 O16 S8 -","4","0.5","RZ2653","Wang, Qian; Shu, Youqin; Hou, Xuehui","(Furan-2-yl)[(furan-2-yl)carbonyldisulfanyl]methanone","Acta Crystallographica Section E","2011","67","11","o3055","","10.1107/S160053681104356X","","","0.71073","MoKα","","0.046","0.0324","","","0.089","0.1033","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232668","11.7508","0.0006","11.9283","0.0006","17.3129","0.0009","90","","90","","90","","2426.7","0.2","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(1-isopropyl-3- methylimidazolin-2-ylidene)rhodium(I) tetrafluoridoborate","","- C22 H36 B F4 N4 Rh -","- C22 H36 B F4 N4 Rh -","- C88 H144 B4 F16 N16 Rh4 -","4","0.5","FJ2478","Nichol, Gary S.; Rajaseelan, Jonathan; Walton, David P.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(1-isopropyl-3-methylimidazolin-2-ylidene)rhodium(I) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","12","m1860","m1861","10.1107/S1600536811049890","","","0.71073","MoKα","","0.0377","0.0201","","","0.0471","0.0586","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232687","17.383","0.004","14.595","0.003","9.476","0.002","90","","90","","90","","2404.1","0.9","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,4-bis(2-hydroxy-phenylbenzylideneamino)benzene","2-{[(4- {[(2-Hydroxyphenyl)(phenyl)methylidene]amino}phenyl)imino](phenyl)methyl}phenol","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C128 H96 N8 O8 -","4","0.5","GK2425","Blagus, Anita; Kaitner, Branko","2-{[(4-{[(2-Hydroxyphenyl)(phenyl)methylidene]amino}phenyl)imino](phenyl)methyl}phenol","Acta Crystallographica Section E","2011","67","12","o3252","","10.1107/S1600536811046988","","","0.71073","MoKα","","0.091","0.0521","","","0.1354","0.1487","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232747","33.3187","0.0007","8.6628","0.0002","13.1811","0.0002","90","","90","","90","","3804.5","0.13","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,3-Diaminopyridinium 3-chlorobenzoate‒3-chlorobenzoic acid (1/1)","","- C19 H17 Cl2 N3 O4 -","- C19 H17 Cl2 N3 O4 -","- C152 H136 Cl16 N24 O32 -","8","1","HB6530","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 3-chlorobenzoate‒3-chlorobenzoic acid (1/1)","Acta Crystallographica Section E","2011","67","12","o3498","","10.1107/S1600536811050422","","","0.71073","MoKα","","0.1038","0.0617","","","0.1287","0.1487","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232909","14.5562","0.0019","25.903","0.003","8.9239","0.0012","90","","90","","90","","3364.7","0.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ- 4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^]","","- C18 H11 N5 O3 S Zn -","- C18 H11 N5 O3 S Zn -","- C144 H88 N40 O24 S8 Zn8 -","8","1","PV2482","Cheng, Xiao-Chun","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^]","Acta Crystallographica Section E","2011","67","12","m1758","","10.1107/S160053681104743X","","","0.71073","MoKα","","0.0642","0.0453","","","0.1242","0.1472","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233173","24.951","0.019","7.733","0.006","7.988","0.006","90","","90","","90","","1541","2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","6-Chloroquinolin-2(1<i>H</i>)-one","","- C9 H6 Cl N O -","- C9 H6 Cl N O -","- C72 H48 Cl8 N8 O8 -","8","1","HB6549","Zhang, Chen-Guang; Luo, Yang-Hui","6-Chloroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","1","o188","","10.1107/S1600536811053359","","","0.71073","MoKα","","0.0375","0.0301","","","0.0818","0.0878","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233220","12.18","0.001","15.6753","0.0013","16.0235","0.0013","90","","90","","90","","3059.3","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","\ Bis[μ-<i>N</i>-(diethylamino-κ<i>N</i>)dimethylsilylanilido- κ^2^<i>N</i>:<i>N</i>]bis[chloridocobalt(II)]","","- C24 H42 Cl2 Co2 N4 Si2 -","- C24 H42 Cl2 Co2 N4 Si2 -","- C96 H168 Cl8 Co8 N16 Si8 -","4","0.5","JJ2112","Chen, Juan","Bis[μ-<i>N</i>-(diethylamino-κ<i>N</i>)dimethylsilylanilido-κ^2^<i>N</i>:<i>N</i>]bis[chloridocobalt(II)]","Acta Crystallographica Section E","2012","68","1","m81","","10.1107/S1600536811054602","","","0.71073","MoKα","","0.1272","0.0716","","","0.1731","0.2267","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233333","31.3411","0.0005","7.8995","0.0001","8.2716","0.0001","90","","90","","90","","2047.87","0.05","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C11 H8 Br N O2 -","- C11 H8 Br N O2 -","- C88 H64 Br8 N8 O16 -","8","1","XU5413","Maamri, Khalil; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","Acta Crystallographica Section E","2012","68","1","o240","","10.1107/S160053681105447X","","","0.71073","MoKα","","0.0418","0.0292","","","0.0807","0.0911","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234894","9.9546","0.0004","42.1921","0.0019","8.6133","0.0004","90","","90","","90","","3617.6","0.3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","<i>N</i>-(Anthracen-9-ylmethyl)adamantan-1-amine","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","1","AA2056","Fan, Wei-Qiang; Chen, Fu-Xiao","<i>N</i>-(Anthracen-9-ylmethyl)adamantan-1-amine","Acta Crystallographica Section E","2012","68","6","o1831","","10.1107/S1600536812022106","","","0.71073","MoKα","","0.0463","0.0389","","","0.0964","0.1035","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236343","7.1216","0.0018","11.78","0.003","13.536","0.003","90","","90","","90","","1135.6","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaquabis(1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C32 H40 Co4 N16 O24 -","4","0.5","HY2579","Chen, Wen-Sen","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","10","m1246","","10.1107/S1600536812037579","","","0.71073","MoKα","","0.0331","0.0266","","","0.0702","0.0731","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236823","6.8218","0.0007","12.9272","0.0013","20.746","0.002","90","","90","","90","","1829.5","0.3","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Dimethyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)tin(IV)","","- C16 H14 N4 S2 Sn -","- C16 H14 N4 S2 Sn -","- C64 H56 N16 S8 Sn4 -","4","0.5","BT6862","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Dimethyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)tin(IV)","Acta Crystallographica Section E","2012","68","12","m1544","","10.1107/S1600536812047691","","","0.71073","MoKα","","0.0704","0.039","","","0.0886","0.1056","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236879","4.9848","0.0003","38.714","0.002","10.3299","0.0007","90","","90","","90","","1993.5","0.2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride","","- C20 H26 Cl N3 O2 -","- C20 H26 Cl N3 O2 -","- C80 H104 Cl4 N12 O8 -","4","0.5","GO2068","AlDamen, Murad A.; Haddad, Salim F.","Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride","Acta Crystallographica Section E","2012","68","12","o3314","","10.1107/S1600536812045424","","","0.7107","MoKα","","0.0914","0.0759","","","0.1436","0.1503","","","","","","1.208","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237078","18.027","0.003","4.6907","0.0006","17.702","0.0019","90","","90","","90","","1496.9","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis[(<i>E</i>)-<i>N</i>-(pyridin-4- ylmethylidene-κ<i>N</i>)hydroxyamine]silver(I)","","- C12 H12 Ag N5 O5 -","- C12 H12 Ag N5 O5 -","- C48 H48 Ag4 N20 O20 -","4","0.5","XU5647","Gao, Shan; Ng, Seik Weng","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis[(<i>E</i>)-<i>N</i>-(pyridin-4-ylmethylidene-κ<i>N</i>)hydroxyamine]silver(I)","Acta Crystallographica Section E","2012","68","12","m1542","","10.1107/S1600536812046107","","","0.71073","MoKα","","0.0853","0.0499","","","0.12","0.1621","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237152","12.6752","0.001","28.578","0.002","8.5659","0.0006","90","","90","","90","","3102.8","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","6-Phenylbenzo[<i>d</i>]naphtho[2,3-<i>b</i>]thiophene","","- C22 H14 S -","- C22 H14 S -","- C176 H112 S8 -","8","1","HB6995","Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.","6-Phenylbenzo[<i>d</i>]naphtho[2,3-<i>b</i>]thiophene","Acta Crystallographica Section E","2013","69","1","o36","","10.1107/S1600536812049471","","","0.71073","MoKα","","0.0612","0.0429","","","0.1071","0.1179","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237433","7.1236","0.0016","11.6305","0.0002","13.5496","0.0004","90","","90","","90","","1122.6","0.3","99.98","0.1","99.98","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C32 H40 Co4 N16 O24 -","4","0.5","ZJ2099","Artetxe, Beñat; San Felices, Leire; Pache, Aroa; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2013","69","2","m94","","10.1107/S1600536813000330","","","0.71073","MoKα","","0.0332","0.0273","","","0.06","0.0629","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237463","16.109","0.002","7.2931","0.0011","12.8708","0.0017","90","","90","","90","","1512.1","0.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","4-(1<i>H</i>-Tetrazol-5-yl)benzene-1,3-diol","","- C7 H6 N4 O2 -","- C7 H6 N4 O2 -","- C56 H48 N32 O16 -","8","1","FF2096","Kim, Youngjo","4-(1<i>H</i>-Tetrazol-5-yl)benzene-1,3-diol","Acta Crystallographica Section E","2013","69","3","o380","","10.1107/S160053681300411X","","","0.71073","MoKα","","0.1431","0.0568","","","0.1189","0.1676","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237503","7.3052","0.001","11.7997","0.0017","13.5156","0.0019","90","","90","","90","","1165","0.3","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)","","- C8 H10 Mn N4 O6 -","- C8 H10 Mn N4 O6 -","- C32 H40 Mn4 N16 O24 -","4","0.5","HY2616","Xiong, Zhi-Yong; Li, Lin; Zhao, Xiang-Jie; Chen, Hai-Ming","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)","Acta Crystallographica Section E","2013","69","3","m172","","10.1107/S1600536813004091","","","0.71073","MoKα","","0.0451","0.0388","","","0.1026","0.109","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237575","8.9391","0.0004","9.4694","0.0004","16.9374","0.0008","90","","90","","90","","1433.72","0.11","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Dineodymium(III) tricarbonate octahydrate","","- C3 H16 Nd2 O17 -","- C3 Nd2 O17 -","- C12 Nd8 O68 -","4","0.5","WM2719","Morrison, Shaunna M.; Andrade, Marcelo B.; Wenz, Michelle D.; Domanik, Kenneth J.; Downs, Robert T.","Lanthanite-(Nd), Nd~2~(CO~3~)~3~·8H~2~O","Acta Crystallographica Section E","2013","69","3","i15","i16","10.1107/S1600536813003164","","","0.71073","MoKα","","0.0232","0.0198","","","0.0537","0.0566","","","","","","1.124","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238167","21.3085","0.0006","18.6249","0.0004","7.48851","0.00019","90","","90","","90","","2971.96","0.13","291","2","291.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","piribedil","2-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","GK2582","Wu, Chunli; Li, Jieming; Wei, Huijie; Hang, Ye; Jiang, Yueming","2-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine","Acta Crystallographica Section E","2013","69","7","o1140","","10.1107/S1600536813016851","","","1.5418","CuKα","","0.0486","0.0389","","","0.1049","0.1124","","","","","","1.029","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238216","28.9562","0.0006","13.261","0.0003","7.5284","0.0002","90","","90","","90","","2890.82","0.12","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2<i>Z</i>)-3-(2,4-Dichlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide","","- C15 H11 Cl2 N O S -","- C15 H11 Cl2 N O S -","- C120 H88 Cl16 N8 O8 S8 -","8","1","LH5625","Kour, Dalbir; Singh, Kuldeep; Aitawade, Mayur M.; Deshmukh, Madhukar B.; Anbhule, Prashant V.; Gupta, Vivek K.; Kant, Rajni","(2<i>Z</i>)-3-(2,4-Dichlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide","Acta Crystallographica Section E","2013","69","7","o1173","o1174","10.1107/S1600536813017339","","","0.71073","MoKα","","0.0595","0.0444","","","0.0854","0.0913","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239350","23.0916","0.0011","23.952","0.0011","8.6426","0.0004","90","","90","","90","","4780.1","0.4","200","2","200","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate","","- C48 H54 Cl4 O12 -","- C48 H54 Cl4 O12 -","- C192 H216 Cl16 O48 -","4","0.5","","Yun, Ji Ye; Ahn, Sung Wan; Kim, Dong Hwan; Sim, Wonbo; Lee, Jai Young","2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate","Acta Crystallographica Section E","2014","70","5","o558","","10.1107/S1600536814007971","","","0.71073","MoKα","","0.0949","0.0506","","","0.111","0.1361","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239476","6.9964","0.0015","55.786","0.012","6.1443","0.0014","90","","90","","90","","2398.1","0.9","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","2-[(<i>E</i>)-(4-Bromophenyl)iminomethyl]-4-chlorophenol","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","FJ2653","Gao, Xiao-Li; Feng, Si-Si; Yuan, Cai-Xia; Zhu, Miao-Li","2-[(<i>E</i>)-(4-Bromophenyl)iminomethyl]-4-chlorophenol","Acta Crystallographica Section E","2014","70","3","o235","o236","10.1107/S1600536814000981","","","0.71073","MoKα","","0.0852","0.0543","","","0.1179","0.1278","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240694","16.396","0.003","21.732","0.004","7.2412","0.0012","90","","90","","90","","2580.2","0.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-(4-Fluorophenyl)-1-isopropyl-1,2,4-triazol-1-ium iodide","","- C11 H13 F I N3 -","- C11 H13 F I N3 -","- C88 H104 F8 I8 N24 -","8","1","ZL2623","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.0593","0.035","","","0.0694","0.077","","","","","","1.028","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2240695","15.843","0.003","21.933","0.004","7.825","0.0014","90","","90","","90","","2719.1","0.9","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1-Isopropyl-4-(4-methylphenyl)-1,2,4-triazol-1-ium iodide","","- C12 H16 I N3 -","- C12 H16 I N3 -","- C96 H128 I8 N24 -","8","1","","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.0462","0.0305","","","0.06","0.0648","","","","","","1.036","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2240791","6.679","0.005","11.679","0.005","16.503","0.005","90","0.005","90","0.005","90","0.005","1287.3","1.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Bis(prop-2-yn-1-yl) 5-nitroisophthalate","Bis(prop-2-yn-1-yl) 5-nitrobenzene-1,3-dicarboxylate","","- C14 H9 N O6 -","- C14 H9 N O6 -","- C56 H36 N4 O24 -","4","0.5","","Ezhilarasi, K. S.; Selvarani, Sivasamy; Rajakumar, Perumal; Revathi, B. K.; Usha, G.","Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate","Acta Crystallographica Section E","2015","71","6","o435","","10.1107/S2056989015009846","","","0.71073","MoKα","","0.0436","0.0381","","","0.1244","0.1355","","","","","","0.726","","","","has coordinates,has Fobs","137552","2020-10-21","18:00:00",""
"2241300","6.3114","0.0013","7.668","0.0015","8.6485","0.0018","90","","90","","90","","418.55","0.15","293","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[(μ~2~-hydrazine)(μ~4~-phosphato)iron(III)]","","- Fe H4 N2 O4 P -","- Fe H4 N2 O4 P -","- Fe4 H16 N8 O16 P4 -","4","0.5","WM5227","David, Renald","Crystal structure of hydrazine iron(III) phosphate, the first transition metal phosphate containing hydrazine","Acta Crystallographica Section E","2015","71","12","1436","1438","10.1107/S2056989015020010","","","0.71073","MoKα","","0.0339","0.0197","","","0.0251","0.0268","","","","","","1.46","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2241473","6.773","0.0003","23.1063","0.0011","16.9483","0.0008","90","","90","","90","","2652.4","0.2","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc dihydrate","","- C20 H32 N4 O6 S4 Zn -","- C20 H32 N4 O6 S4 Zn -","- C80 H128 N16 O24 S16 Zn4 -","4","0.5","WM5262","Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","Crystal structures of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc dihydrate and (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc","Acta Crystallographica Section E","2016","72","2","203","208","10.1107/S2056989016000700","","","0.71073","MoKα","","0.0361","0.0271","","","0.0602","0.0661","","","","","","1.019","","","","has coordinates,has Fobs","174630","2020-10-21","18:00:00",""
"2241491","19.872","0.002","20.304","0.002","8.2924","0.0008","90","","90","","90","","3345.8","0.6","100","1","100","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1-{3-(4-Methylphenyl)-5-[(<i>E</i>)-2-phenylethenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethan-1-one","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","","Adam, Farook; Smitha, Kanathur; Charishma, Sharath Poojary; Samshuddin, Seranthimata; Ameram, Nadiah","Crystal structure of 1-{3-(4-methylphenyl)-5-[(<i>E</i>)-2-phenylethenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethan-1-one","Acta Crystallographica Section E","2015","71","12","o1095","o1096","10.1107/S2056989015024792","","","0.71073","MoKα","","0.0711","0.052","","","0.1324","0.1463","","","","","","1.037","","","","has coordinates,has Fobs","174742","2020-10-21","18:00:00",""
"2241819","12.2159","0.0008","33.1138","0.0004","8.8993","0.0005","90","","90","","90","","3599.9","0.3","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","14-Phenyl-10-thiapentacyclo[11.8.0.0^3,11^.0^4,9^.0^15,20^]\ henicosa-1,3(11),4(9),57,12,14,16,18,20-decaene","7-Phenylanthra[2,3-<i>b</i>]benzo[<i>d</i>]thiophene","","- C26 H16 S -","- C26 H16 S -","- C208 H128 S8 -","8","1","LH5819","Gopinath, S.; Sethusankar, K.; Stoeckli-Evans, Helen; Rafiq, Muhamad; Mohanakrishnan, Arasambattu K.","Crystal structure of 6-(<i>p</i>-tolyl)benzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-<i>b</i>]benzo[<i>d</i>]thiophene","Acta Crystallographica Section E","2016","72","9","1310","1314","10.1107/S2056989016012937","","","0.71073","MoKα","","0.0755","0.0589","","","0.164","0.182","","","","","","1.044","","","","has coordinates,has Fobs","185839","2020-10-21","18:00:00",""
"2242881","12.1612","0.0017","14.847","0.002","9.8265","0.0014","90","","90","","90","","1774.2","0.4","125","2","125","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-Nitro-2-(trifluoromethyl)benzoic acid","","- C8 H4 F3 N O4 -","- C8 H4 F3 N O4 -","- C64 H32 F24 N8 O32 -","8","1","PK2616","Diehl III, George L.; Je, Lisa; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2019","75","4","524","528","10.1107/S2056989019003979","","","0.71073","MoKα","","0.0569","0.0385","","","0.098","0.1085","","","","","","1.042","","","","has coordinates,has Fobs","214427","2020-10-21","18:00:00",""
"2243340","10.6041","0.0002","12.3058","0.0002","18.2513","0.0003","90","","90","","90","","2381.65","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(η^4^-Cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","","- C22 H36 I Ir N4 -","- C22 H36 I Ir N4 -","- C88 H144 I4 Ir4 N16 -","4","0.5","","Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.","Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","Acta Crystallographica Section E","2020","76","5","611","614","10.1107/S2056989020004235","","x-ray","0.71073","MoKα","","0.0679","0.0296","","","0.0519","0.0604","","","","","","1","","","","has coordinates,has Fobs","250123","2020-10-21","18:00:00",""
"2310699","7.24","","11.465","","9.35","","90","","90","","90","","776.112","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(N H4)2 (H2 P2 O6)","","- H10 N2 O6 P2 -","- N2 O6 P2 -","- N8 O24 P8 -","4","0.5","","Wilson, A.; McGeachin, H.M.","The crystal structure of diammonium dihydrogen hypophosphate (N H4)2 H2 P2 O6","Acta Crystallographica (1,1948-23,1967)","1964","17","","1352","1355","","","","","","","","","","","","","","","","","","","","","","has coordinates","151898","2020-10-21","18:00:00",""
"2312070","27.4096","0.0019","7.3301","0.0005","5.9135","0.0003","90","","90","","90","","1188.11","0.13","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","4-Bromo-<i>N</i>-(4-bromobenzylidene)aniline","(<i>E</i>)-<i>N</i>,1-Bis(4-bromophenyl)methanimine","","- C13 H9 Br2 N -","- C13 H9 Br2 N -","- C52 H36 Br8 N4 -","4","0.5","HB8048","Subashini, A.; Ramamurthi, K.; Ramesh Babu, R.; Philip, Reji; Stoeckli-Evans, Helen","Synthesis, crystal structure and Hirshfeld surface analysis of the ortho-rhom-bic polymorph of 4-bromo-<i>N</i>-(4-bromo-benzyl-idene)aniline.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","146","150","10.1107/S2056989023001111","","","0.71073","MoKα","","0.0533","0.0365","","","0.0572","0.0609","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","282426","2023-04-05","16:06:49",""
"2312165","12.3334","0.0002","14.6776","0.0002","18.2772","0.0002","90","","90","","90","","3308.62","0.08","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","NE5010","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.094","0.0643","","","0.118","0.1293","","","","","","1.11","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:07",""
"2312166","12.9662","0.0008","15.3404","0.0009","17.5869","0.0008","90","","90","","90","","3498.2","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2757","0.1137","","","0.1938","0.2535","","","","","","1.124","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312222","12.9526","0.0005","15.1884","0.0006","17.6032","0.0006","90","","90","","90","","3463.1","0.2","293","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2285","0.1033","","","0.1492","0.187","","","","","","1.15","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312223","12.3465","0.0002","14.7297","0.0002","18.2561","0.0002","90","","90","","90","","3320.06","0.08","120","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1056","0.0728","","","0.1305","0.142","","","","","","1.149","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312224","12.9265","0.0004","15.0011","0.0004","17.6167","0.0004","90","","90","","90","","3416.08","0.16","215","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1837","0.1069","","","0.1497","0.1728","","","","","","1.205","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312225","12.3334","0.0002","14.6776","0.0002","18.2772","0.0002","90","","90","","90","","3308.62","0.08","85","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.094","0.0643","","","0.118","0.1293","","","","","","1.11","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312226","12.9195","0.0003","14.9581","0.0004","17.6206","0.0004","90","","90","","90","","3405.2","0.14","195","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1741","0.1079","","","0.1559","0.1765","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312227","12.9579","0.0005","15.244","0.0006","17.5986","0.0006","90","","90","","90","","3476.3","0.2","315","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2477","0.1134","","","0.1591","0.1996","","","","","","1.164","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312228","12.3375","0.0002","14.6932","0.0002","18.2706","0.0002","90","","90","","90","","3312.05","0.08","95","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0968","0.0679","","","0.1232","0.1345","","","","","","1.118","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312229","12.9162","0.0003","14.9373","0.0004","17.622","0.0004","90","","90","","90","","3399.87","0.14","185","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1677","0.1036","","","0.1553","0.1765","","","","","","1.197","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312230","12.9231","0.0003","14.98","0.0004","17.6199","0.0004","90","","90","","90","","3411","0.14","205","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1786","0.109","","","0.1478","0.1686","","","","","","1.206","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312231","12.3677","0.0002","14.816","0.0003","18.2223","0.0003","90","","90","","90","","3339.05","0.1","165","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1408","0.0945","","","0.1491","0.164","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312232","12.3441","0.0002","14.7212","0.0002","18.2597","0.0002","90","","90","","90","","3318.15","0.08","115","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1056","0.0732","","","0.1312","0.1426","","","","","","1.163","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312233","12.3623","0.0002","14.7965","0.0003","18.23","0.0003","90","","90","","90","","3334.61","0.1","155","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1327","0.0887","","","0.1403","0.1549","","","","","","1.206","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312234","12.9388","0.0004","15.0788","0.0005","17.6121","0.0005","90","","90","","90","","3436.15","0.18","250","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1931","0.0995","","","0.1535","0.1839","","","","","","1.145","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312235","12.9641","0.0007","15.3324","0.0008","17.5888","0.0007","90","","90","","90","","3496.1","0.3","345","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2776","0.1206","","","0.1679","0.2162","","","","","","1.162","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312236","12.3384","0.0002","14.6989","0.0002","18.2686","0.0002","90","","90","","90","","3313.21","0.08","100","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0994","0.0691","","","0.1246","0.1355","","","","","","1.129","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312237","12.9419","0.0005","15.1124","0.0005","17.608","0.0005","90","","90","","90","","3443.8","0.2","265","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2039","0.0973","","","0.1495","0.1843","","","","","","1.141","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312238","12.9212","0.0003","14.9706","0.0004","17.6196","0.0004","90","","90","","90","","3408.3","0.14","200","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1753","0.1085","","","0.1485","0.1685","","","","","","1.223","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312239","12.3733","0.0003","14.8371","0.0003","18.2128","0.0004","90","","90","","90","","3343.58","0.13","175","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1464","0.0931","","","0.1463","0.1631","","","","","","1.214","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312240","12.3481","0.0002","14.7388","0.0002","18.2524","0.0003","90","","90","","90","","3321.87","0.09","125","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1101","0.0754","","","0.1344","0.1466","","","","","","1.154","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312241","12.3551","0.0002","14.7667","0.0003","18.2415","0.0003","90","","90","","90","","3328.05","0.1","140","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1148","0.0751","","","0.1327","0.1466","","","","","","1.156","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312242","12.9473","0.0005","15.1502","0.0006","17.6044","0.0005","90","","90","","90","","3453.2","0.2","280","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2137","0.1014","","","0.1557","0.1912","","","","","","1.157","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312243","12.34","0.0002","14.7047","0.0002","18.2655","0.0002","90","","90","","90","","3314.38","0.08","105","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1006","0.0689","","","0.124","0.1356","","","","","","1.13","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312244","12.9347","0.0004","15.056","0.0005","17.6127","0.0004","90","","90","","90","","3429.98","0.17","240","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1831","0.0942","","","0.1419","0.1687","","","","","","1.131","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312245","12.9442","0.0004","15.1256","0.0005","17.6073","0.0005","90","","90","","90","","3447.31","0.18","270","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2064","0.0998","","","0.1559","0.1907","","","","","","1.148","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312246","12.9305","0.0004","15.0243","0.0004","17.6168","0.0004","90","","90","","90","","3422.45","0.16","225","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1888","0.1058","","","0.146","0.1712","","","","","","1.191","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312247","12.9365","0.0004","15.0666","0.0004","17.6116","0.0004","90","","90","","90","","3432.66","0.16","245","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.188","0.0968","","","0.1458","0.1745","","","","","","1.144","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312248","12.9607","0.0006","15.2577","0.0008","17.5967","0.0007","90","","90","","90","","3479.8","0.3","320","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2465","0.1059","","","0.1614","0.2049","","","","","","1.136","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312249","12.3353","0.0002","14.6851","0.0002","18.2738","0.0002","90","","90","","90","","3310.21","0.08","90","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0968","0.0664","","","0.1245","0.1363","","","","","","1.126","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312250","12.3711","0.0003","14.826","0.0003","18.2181","0.0003","90","","90","","90","","3341.45","0.12","170","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1383","0.0874","","","0.14","0.1569","","","","","","1.188","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312251","12.9344","0.0004","15.0561","0.0005","17.6128","0.0004","90","","90","","90","","3429.95","0.17","235","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1853","0.095","","","0.1395","0.167","","","","","","1.144","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312252","12.9579","0.0006","15.2284","0.0007","17.5993","0.0007","90","","90","","90","","3472.8","0.3","310","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2386","0.1022","","","0.1521","0.1947","","","","","","1.132","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312253","12.9555","0.0005","15.2018","0.0006","17.6028","0.0006","90","","90","","90","","3466.8","0.2","300","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2336","0.1038","","","0.1533","0.1929","","","","","","1.147","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312254","12.9631","0.0007","15.3033","0.0008","17.5926","0.0007","90","","90","","90","","3490","0.3","335","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2671","0.1157","","","0.1638","0.2104","","","","","","1.156","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312255","12.3502","0.0002","14.748","0.0002","18.249","0.0003","90","","90","","90","","3323.89","0.09","130","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1134","0.0757","","","0.1346","0.1478","","","","","","1.164","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312256","12.918","0.0003","14.9481","0.0004","17.6212","0.0004","90","","90","","90","","3402.65","0.14","190","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.171","0.1068","","","0.1538","0.1742","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312257","12.9471","0.0005","15.1392","0.0006","17.6059","0.0006","90","","90","","90","","3450.9","0.2","275","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2056","0.0978","","","0.155","0.1899","","","","","","1.137","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312258","12.9639","0.0007","15.2874","0.0007","17.5947","0.0007","90","","90","","90","","3487","0.3","330","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2577","0.1116","","","0.1628","0.2086","","","","","","1.142","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312259","12.9567","0.0006","15.2136","0.0006","17.602","0.0006","90","","90","","90","","3469.7","0.2","305","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2363","0.1085","","","0.1503","0.1882","","","","","","1.145","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312260","12.3654","0.0003","14.8067","0.0003","18.226","0.0003","90","","90","","90","","3337.01","0.12","160","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1352","0.0919","","","0.1452","0.159","","","","","","1.216","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312261","12.9645","0.0007","15.3174","0.0007","17.59","0.0007","90","","90","","90","","3493.1","0.3","340","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2721","0.1137","","","0.168","0.2195","","","","","","1.132","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312262","12.9256","0.0004","14.9915","0.0004","17.6177","0.0004","90","","90","","90","","3413.85","0.16","210","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1805","0.1082","","","0.1442","0.1649","","","","","","1.2","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312263","12.9498","0.0005","15.1732","0.0006","17.6021","0.0005","90","","90","","90","","3458.6","0.2","290","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2261","0.1069","","","0.1568","0.194","","","","","","1.158","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312264","12.9281","0.0004","15.0131","0.0004","17.6172","0.0004","90","","90","","90","","3419.34","0.16","220","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1866","0.1079","","","0.1468","0.17","","","","","","1.21","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312265","12.3593","0.0002","14.7857","0.0003","18.2342","0.0003","90","","90","","90","","3332.13","0.1","150","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1293","0.0876","","","0.1415","0.155","","","","","","1.218","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312266","12.9662","0.0008","15.3404","0.0009","17.5869","0.0008","90","","90","","90","","3498.2","0.3","350","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2757","0.1137","","","0.1938","0.2535","","","","","","1.124","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312267","12.9604","0.0006","15.2712","0.0007","17.5958","0.0006","90","","90","","90","","3482.6","0.3","325","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2561","0.1158","","","0.1635","0.2061","","","","","","1.17","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312268","12.3525","0.0002","14.7569","0.0003","18.2457","0.0003","90","","90","","90","","3325.91","0.1","135","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1156","0.0784","","","0.1351","0.1486","","","","","","1.151","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312269","12.9149","0.0003","14.927","0.0004","17.6232","0.0004","90","","90","","90","","3397.41","0.14","180","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1627","0.1052","","","0.1565","0.1749","","","","","","1.23","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312270","12.9419","0.0004","15.1014","0.0005","17.6085","0.0005","90","","90","","90","","3441.42","0.18","260","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1965","0.0962","","","0.1494","0.1821","","","","","","1.138","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312271","12.9392","0.0004","15.0898","0.0005","17.6092","0.0005","90","","90","","90","","3438.2","0.18","255","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.196","0.098","","","0.1542","0.1864","","","","","","1.146","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312272","12.3576","0.0002","14.7766","0.0003","18.2377","0.0003","90","","90","","90","","3330.26","0.1","145","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1271","0.0867","","","0.1414","0.1549","","","","","","1.211","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312273","12.3415","0.0002","14.7126","0.0002","18.2629","0.0002","90","","90","","90","","3316.1","0.08","110","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1032","0.0719","","","0.1281","0.139","","","","","","1.157","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312274","12.9317","0.0004","15.0357","0.0004","17.6142","0.0004","90","","90","","90","","3424.86","0.16","230","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1948","0.1078","","","0.1425","0.1674","","","","","","1.191","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312465","12.6592","0.0003","28.3597","0.0007","7.1268","0.0002","90","","90","","90","","2558.6","0.11","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Ammonium 3-{2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonate","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C96 H104 N24 O32 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.1043","0.0512","","","0.0983","0.1176","","","","","","1.029","","","","has coordinates","291105","2024-04-05","23:15:11",""
"2312469","12.5535","0.0002","27.9698","0.0005","6.9982","0.0001","90","","90","","90","","2457.2","0.07","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Poly[(3-{2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonato)potassium]","","- C12 H9 K N2 O4 S -","- C12 H9 K N2 O4 S -","- C96 H72 K8 N16 O32 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0776","0.0421","","","0.0809","0.0919","","","","","","1.05","","","","has coordinates","291105","2024-04-05","23:15:12",""
"3500111","12.5532","0.0005","7.4371","0.0003","11.9865","0.0005","90","","90","","90","","1119.05","0.08","150","","150","","","","","","","","","4","P c c n","-P 2ab 2ac","56","3-Pyridinol, 2-Nitro-","3-Pyridinol, 2-Nitro-","","- C5 H4 N2 O3 -","- C5 H4 N2 O3 -","- C40 H32 N16 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.052","0.0502","","","0.1237","0.1257","","","","","","1.169","","","","has coordinates,has disorder,has Fobs","252130","2020-10-21","18:00:00",""
"4000080","22.999","0.003","23.338","0.003","7.3888","0.0011","90","","90","","90","","3966.1","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H12 Co N4 O10 -","- C14 H12 Co N4 O10 -","- C112 H96 Co8 N32 O80 -","8","1","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1211","0.0649","","","0.124","0.1443","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000309","19.299","0.003","19.866","0.003","22.892","0.003","90","","90","","90","","8777","2","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Catena-(bis(Dibenzoylmethanato)-(mu!2$-4,4'-bi","Catena-(bis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-zinc(II)), cl","","- C52 H40 F2 N2 O4 Zn -","- C52 H40 F1.999 N2 O4 Zn0.9807 -","- C416 H320 F15.992 N16 O32 Zn7.8456 -","8","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.0871","0.0462","","","0.1196","0.1333","","","","","","1.024","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000372","15.6706","0.0001","16.8518","0.0003","24.3821","0.0003","90","","90","","90","","6438.77","0.15","142","2","142","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C41 H96 Mo2 N2 O16 P4 -","- C41.04 H84 Mo2 N2 O16 P4 -","- C164.16 H336 Mo8 N8 O64 P16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0708","0.0384","","0.1103","0.1018","","","","1.014","1.159","1.159","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000712","7.237","0.003","11.484","0.004","9.373","0.003","90","","90","","90","","779","0.5","210","2","210","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","diammonium hypodiphosphate","","- H10 N2 O6 P2 -","- H10 N2 O6 P2 -","- H40 N8 O24 P8 -","4","0.5","","Szklarz, Przemysław; Chański, Michał; Ślepokura, Katarzyna; Lis, Tadeusz","Discovery of Ferroelectric Properties in Diammonium Hypodiphosphate (NH4)2H2P2O6(ADhP)","Chemistry of Materials","2011","23","5","1082","","10.1021/cm102265e","","","0.71073","MoKα","","0.0535","0.0352","","","0.0836","0.0893","","","","","","1.172","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000977","15.92","0.002","18.508","0.003","6.9299","0.0009","90","","90","","90","","2041.9","0.5","298","","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","3, 9-diphenyl-6, 12-dioxaanthanthrene","","","- C32 H18 O2 -","- C32 H18 O2 -","- C128 H72 O8 -","4","0.5","","Kobayashi, Norihito; Sasaki, Mari; Nomoto, Kazumasa","Stableperi-Xanthenoxanthene Thin-Film Transistors with Efficient Carrier Injection","Chemistry of Materials","2009","21","3","552","","10.1021/cm802826m","","","0.71073","MoKα","","0.1448","0.0505","","","0.108","0.1431","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001401","8.9475","0.0006","9.5099","0.0007","16.9616","0.0012","90","","90","","90","","1443.26","0.18","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H16 Ce1.8 Gd0.2 O17 -","- C3 H16 Ce1.801 Gd0.199 O17 -","- C12 H64 Ce7.204 Gd0.796 O68 -","4","0.5","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","","","0.71073","MoKα","","0.0404","0.0197","","","0.0353","0.0388","","","","","","0.893","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001603","10.3704","0.0012","11.6816","0.0013","15.3131","0.0019","90","","90","","90","","1855.1","0.4","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H28 B F4 Li O6 -","- C12 H28 B F4 Li O6 -","- C48 H112 B4 F16 Li4 O24 -","4","0.5","","Andreev, Yuri G.; Seneviratne, Varuni; Khan, Masood; Henderson, Wesley A.; Frech, Roger E.; Bruce, Peter G.","Crystal Structures of Poly(Ethylene Oxide)3:LiBF4and (Diglyme)n:LiBF4(n= 1,2)","Chemistry of Materials","2005","17","4","767","","10.1021/cm048310u","","","0.71073","MoKα","","0.1005","0.0579","","","0.1407","0.1686","","","","","","1.027","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003006","18.6809","0.0009","19.188","0.003","12.7644","0.0006","90","","90","","90","","4575.4","0.8","280","0.1","280","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H14 I4 N4 Pb -","- C2 H12.9572 I4 N4 Pb -","- C24 H155.486 I48 N48 Pb12 -","12","1.5","","Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam","Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions","Chemistry of Materials","2019","31","20","8563","","10.1021/acs.chemmater.9b03775","","x-ray","0.71073","MoKα","","0.0787","0.0437","","","0.092","0.1075","","","","","","1.129","","","","has coordinates,has disorder","220429","2020-10-21","18:00:00",""
"4003278","20.9002","0.0018","8.6559","0.0007","6.2386","0.0006","90","","90","","90","","1128.63","0.17","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H12 S2 -","- C14 H12 S2 -","- C56 H48 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.0738","0.063","","","0.1865","0.1945","","","","","","1.147","","","","has coordinates","231483","2020-10-21","18:00:00",""
"4020100","21.3129","0.0003","31.6796","0.0005","7.7621","0.0001","90","","90","","90","","5240.8","0.1","296.2","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H26 N6 O S -","- C30 H26 N6 O S -","- C240 H208 N48 O8 S8 -","8","1","","Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao","","Journal of Organic Chemistry","2005","70","","2754","2762","10.1021/jo048324j","","","0.7107","MoKα","","","0.0546","","","","0.1804","","","","","","0.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021232","14.4551","0.0003","16.5721","0.0005","8.0504","0.0004","90","","90","","90","","1928.48","0.12","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021734","22.813","0.005","14.951","0.003","18.936","0.004","90","","90","","90","","6458","2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H34 Cl3 N4 O9.5 -","- C29 H34 Cl3 N4 O9.5 -","- C232 H272 Cl24 N32 O76 -","8","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0934","0.0733","","","0.1754","0.1918","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021776","18.9561","0.0003","31.016","0.0005","16.5337","0.0003","90","","90","","90","","9720.9","0.3","296.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H63 N O11 -","- C52 H63 N O11 -","- C416 H504 N8 O88 -","8","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022570","20.349","0.005","14.534","0.003","7.515","0.002","90","","90","","90","","2222.7","0.9","143","1","143","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H20 Cl N -","- C10 H20 Cl N -","- C80 H160 Cl8 N8 -","8","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.0754","0.0639","","0.1386","0.1334","","","","1.167","1.197","1.197","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022827","17.283","0.002","22.136","0.003","7.4999","0.0009","90","","90","","90","","2869.2","0.6","213","2","213","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H20 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","","Raşit Çalişkan; Mohamed Fadelalla Ali; Ertan Şahin; William H. Watson; Metin Balci","Unusual Manganese(III)-Mediated Oxidative Free Radical Additions of 1,3-Dicarbonyl Compounds to Benzonorbornadiene and 7-Heterobenzonorbornadienes: Mechanistic Studies","Journal of Organic Chemistry","2007","72","","3353","3359","10.1021/jo0625711","","","0.71073","MoKα","","0.1131","0.0619","","","0.102","0.118","","","","","","1.041","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022888","21.277","0.004","10.565","0.002","11.624","0.002","90","","90","","90","","2613","0.9","143","1","143","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","1","","Grant R. Krow; Qiuli Huang; Steven W. Szczepanski; Fredrick H. Hausheer; Patrick J. Carroll","Stereoselectivity in Diels-Alder Reactions of Diene-Substituted N-Alkoxycarbonyl-1,2-dihydropyridines","Journal of Organic Chemistry","2007","72","","3458","3466","10.1021/jo0700575","","","0.7107","MoKα","","0.0543","0.0495","","","0.1327","0.1368","","","","","","1.113","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4023143","21.0801","0.0008","13.9059","0.0006","16.299","0.0006","90","","90","","90","","4777.9","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H20 N2 O4 S2 -","- C30 H20 N2 O4 S2 -","- C240 H160 N16 O32 S16 -","8","1","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0442","0.0382","","","0.0998","0.1051","","","","","","1.037","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023285","14.408","0.004","14.455","0.004","13.137","0.004","90","","90","","90","","2736.1","1.4","297","2","297","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1, 1'-Bis[4-(5-bromouracyl)n-butyl] ferrocene","","- C26 H28 Br2 Fe N4 O4 -","- C26 H28 Br2 Fe N4 O4 -","- C104 H112 Br8 Fe4 N16 O16 -","4","0.5","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0642","0.042","","","0.0964","0.1056","","","","","","1.017","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023286","14.074","0.005","14.676","0.005","13.252","0.005","90","","90","","90","","2737.1","1.7","297","2","297","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1, 1'-Bis[4-(thyminyl)n-butyl]ferrocene","","- C28 H34 Fe N4 O4 -","- C28 H34 Fe N4 O4 -","- C112 H136 Fe4 N16 O16 -","4","0.5","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0598","0.0412","","","0.1011","0.1111","","","","","","1.034","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023289","13.675","0.003","14.687","0.003","13.361","0.003","90","","90","","90","","2683.6","0.9","297","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-(4-(Thyminyl)butyl)-1'-(4-(uracyl)butyl)ferrocene","","- C27 H31 Fe N4 O4 -","- C27 H31 Fe N4 O4 -","- C108 H124 Fe4 N16 O16 -","4","0.5","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0603","0.0473","","","0.1068","0.1122","","","","","","1.199","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023878","26.056","0.003","7.7067","0.0008","13.5969","0.0015","90","","90","","90","","2730.3","0.5","90","","90","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0471","0.0382","","","0.0954","0.1016","","","","","","1.049","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4024002","11.683","0.003","20.619","0.004","11.111","0.007","90","","90","","90","","2676.5","1.9","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H26 B2 N2 -","- C36 H26 B2 N2 -","- C144 H104 B8 N8 -","4","0.5","","Cory A. Jaska; Warren E. Piers; Robert McDonald; Masood Parvez","Synthesis, Characterization, and Fluorescence Behavior of Twisted and Planar B~2~N~2~-Quaterphenyl Analogues","Journal of Organic Chemistry","2007","72","","5234","5243","10.1021/jo0706574","","","0.71073","MoKα","","0.06","0.0454","","","0.1188","0.1308","","","","","","1.04","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024399","9.3732","0.0005","13.9484","0.0006","14.0455","0.0006","90","","90","","90","","1836.32","0.15","120","","120","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Solid-State NMR and X-ray Analysis of Structural Transformations in O-H...N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition","Journal of Organic Chemistry","2009","74","","2261","2270","10.1021/jo802673f","","","0.71073","MoKα","","0.1407","0.05","","0.0373","0.0339","0.0339","","","","","","1.257","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024413","12.8213","0.0007","15.9442","0.0007","6.1647","0.0004","90","","90","","90","","1260.22","0.12","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H6 N6 O -","- C4 H6 N6 O -","- C32 H48 N48 O8 -","8","1","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0543","0.0393","","","0.1023","0.1145","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024712","22.916","0.006","27.217","0.009","7.899","0.002","90","","90","","90","","4927","2","103","2","103","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C224 H224 N16 O40 S8 -","8","1","","Tamas Benkovics; Juana Du; Ilia A. Guzei; Tehshik P. Yoon","Anionic Halocuprate(II) Complexes as Catalysts for the Oxaziridine-Mediated Aminohydroxylation of Olefins","Journal of Organic Chemistry","2009","74","","5545","5552","10.1021/jo900902k","","","1.54184","Cu-Kα","","0.0401","0.0346","","","0.087","0.0904","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024902","18.879","0.0011","24.9139","0.0015","9.4495","0.0005","90","","90","","90","","4444.6","0.4","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H22 N2 O S2 -","- C24 H22 N2 O S2 -","- C192 H176 N16 O8 S16 -","8","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Dissecting Competitive Mechanisms: Thionation vs. Cycloaddition in the Reaction of Thioisomünchnones with Isothiocyanates under Microwave Irradiation","Journal of Organic Chemistry","2009","74","","7644","7650","10.1021/jo900960a","","","0.71073","MoKα","","0.1467","0.1041","","","0.2098","0.2317","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025041","20.763","0.004","10.506","0.002","19.102","0.004","90","","90","","90","","4167","1.4","293","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H22 N8 -","- C23 H22 N8 -","- C184 H176 N64 -","8","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0758","0.0446","","","0.0993","0.1102","","","","","","1.043","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025092","6.996","0.006","26.305","0.004","11.977","0.006","90","","90","","90","","2204","2","198.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H38 N2 O2 -","- C23 H38 N2 O2 -","- C92 H152 N8 O8 -","4","0.5","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0652","","","","0.0852","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025410","8.4513","0.0002","11.8642","0.0002","11.7832","0.0003","90","","90","","90","","1181.48","0.05","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5'-Dibromo-2,2'-dichloro-[4,4']bipyridinyl","","- C10 H4 Br2 Cl2 N2 -","- C10 H4 Br2 Cl2 N2 -","- C40 H16 Br8 Cl8 N8 -","4","0.5","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0447","0.0371","","","0.0809","0.0836","","","","","","1.152","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025687","12.2547","0.0002","27.5395","0.0005","9.9291","0.0002","90","","90","","90","","3350.96","0.11","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Michael G. Brant; Caleb M. Bromba; Jeremy E. Wulff","Tandem Vinylogous 1,2-Addition/Anionic Oxy-Cope Reaction Leading from Butadiene Sulfone to an Orthogonally Functionalized Bicycle","Journal of Organic Chemistry","2010","75","","6312","6315","10.1021/jo101389c","","","1.54178","CuKα","","0.0498","0.04","","","0.098","0.1044","","","","","","1.028","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4026902","11.428","0.003","24.352","0.006","10.474","0.002","90","","90","","90","","2914.9","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H19 F2 N O3 -","- C15 H19 F2 N O3 -","- C120 H152 F16 N8 O24 -","8","1","","Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh","Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2","Journal of Organic Chemistry","2012","77","","991","998","10.1021/jo2022845","","","0.71073","MoKα","","0.0658","0.0498","","","0.1134","0.1194","","","","","","1.149","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026964","15.4577","0.0015","17.4225","0.0017","13.5101","0.0014","90","","90","","90","","3638.4","0.6","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H58 N2 O12 S4 -","- C27 H58 N2 O12 S4 -","- C108 H232 N8 O48 S16 -","4","0.5","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","","0.71073","MoKα","","0.0561","0.0381","","","0.0867","0.0975","","","","","","1.042","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027461","14.048","0.005","6.393","0.006","14.113","0.003","90","","90","","90","","1267.5","1.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5-difluoro-2,3,7,8-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2] diazaborinin-6-ium-5-uide","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","0.5","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","1.54187","CuKα","","0.0615","0.0464","","","0.1294","0.1525","","","","","","1.068","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027585","11.7061","0.0006","28.9651","0.0012","8.9072","0.0004","90","","90","","90","","3020.1","0.2","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","6-(thiophen-2-yl)benzo[b]naphtha[2,3-d]thiophene","","- C20 H12 S2 -","- C20 H12 S2 -","- C160 H96 S16 -","8","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.0666","0.0368","","","0.0877","0.1029","","","","","","1.04","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027723","19.473","0.003","33.144","0.004","7.8337","0.001","90","","90","","90","","5056","1.2","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H31 N O4 -","- C28 H31 N O4 -","- C224 H248 N8 O32 -","8","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0524","0.043","","","0.1187","0.1307","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027939","12.2508","0.0018","17.19","0.003","23.356","0.003","90","","90","","90","","4918.6","1.3","170","","170","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 Br2 N2 -","- C30 H26 Br2 N2 -","- C240 H208 Br16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0714","0.0495","","0.0779","0.0581","0.0581","","","","","","1.0262","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027946","12.3229","0.0004","18.3554","0.0005","22.9405","0.0006","90","","90","","90","","5189","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 I2 N2 -","- C30 H26 I2 N2 -","- C240 H208 I16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0449","0.0328","","","0.0734","0.0788","","","","","","1.095","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028125","13.6637","0.0009","26.4984","0.0016","8.3392","0.0006","90","","90","","90","","3019.3","0.3","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","1","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.1703","0.0617","","","0.1335","0.1801","","","","","","0.927","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028787","23.8045","0.0017","10.9781","0.0005","7.5754","0.0004","90","","90","","90","","1979.7","0.2","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N2 O2 S2 -","- C9 H7 N O2 S2 -","- C72 H56 N8 O16 S16 -","8","1","","Shuai Liang; Ruo-Yi Zhang; Long-Yi Xi; Shan-Yong Chen; Xiao-Qi Yu","Sulfonylation of Five-Membered Heterocycles via an SNAr Reaction","Journal of Organic Chemistry","2013","78","","11874","11880","10.1021/jo401828b","","","0.7107","MoKα","","0.0657","0.0447","","","0.092","0.1032","","","","","","1.047","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4029328","16.9949","0.0018","21.083","0.002","7.3381","0.0008","90","","90","","90","","2629.3","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0695","0.0476","","","0.1242","0.1373","","","","","","1.056","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029395","14.3696","0.0006","24.357","0.001","8.882","0.0004","90","","90","","90","","3108.7","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C144 H152 O32 -","4","0.5","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1006","0.0641","","","0.1439","0.1615","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029422","11.2497","0.0006","21.1287","0.0009","15.288","0.0006","90","","90","","90","","3633.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N O P -","- C22 H20 N O P -","- C176 H160 N8 O8 P8 -","8","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0537","0.043","","","0.1076","0.1141","","","","","","1.085","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029809","14.761","0.003","31.143","0.006","7.2056","0.0014","90","","90","","90","","3312.4","1.1","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C152 H128 N16 O40 -","8","1","","Wan, Jie-Ping; Lin, Yunfang; Huang, Qing; Liu, Yunyun","Diastereoselective Construction of Tetrahydropyridine Fused Bicyclic Structures via Three-Component Domino Reaction.","The Journal of organic chemistry","2014","79","15","7232","7238","10.1021/jo501292q","","","0.71073","MoKα","","0.1149","0.072","","","0.1977","0.249","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4030048","21.552","0.003","11.0789","0.0017","15.085","0.002","90","","90","","90","","3601.9","0.9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","x-ray","1.54178","CuKα","","0.0426","0.0412","","","0.113","0.1151","","","","","","1.074","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030102","24.8158","0.0008","8.449","0.0003","14.6172","0.0006","90","","90","","90","","3064.77","0.19","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","1","","Xu, Hongtao; Tang, Huanyu; Feng, Huijin; Li, Yuanchao","Divergent Total Synthesis of Triptolide, Triptonide, Tripdiolide, 16-Hydroxytriptolide, and Their Analogues.","The Journal of organic chemistry","2014","79","21","10110","","10.1021/jo501744j","","","0.71073","MoKα","","0.0545","0.0385","","","0.105","0.1122","","","","","","1.168","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4031014","12.9103","0.0008","19.5008","0.0005","16.3696","0.0005","90","","90","","90","","4121.2","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(TTF4)(CuBr4)","(TTF4)(CuBr4)","","- C34 H28 Br4 Cu O4 S8 -","- C34 H28 Br4 Cu O4 S8 -","- C136 H112 Br16 Cu4 O16 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1377","0.0516","","","0.0704","0.0943","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031164","8.9912","","11.6988","","17.246","","90","","90","","90","","1814.04","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Co4 (C O)12","","- C12 Co4 O12 -","- C12 Co4.01 O12 -","- C48 Co16.04 O48 -","4","0.5","","Farrugia, L.J.; Braga, D.; Grepioni, F.","A structural redetermination of Co4 (C O)12: evidence for dynamic disorder and the pathway of metal atom migration in the crystalline phase","Journal of Organometallic Chemistry","1999","573","","60","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","140596","2020-10-21","18:00:00",""
"4031198","6.843","","15.814","","17.436","","90","","90","","90","","1886.84","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","((Fe4 (C O)10) (C O) Te2)","","- C11 Fe4 O11 Te2 -","- C11 Fe4 O11 Te2 -","- C44 Fe16 O44 Te8 -","4","0.5","","Faessler, T.F.; Fabrichnyi, P.B.; Voegl, T.; Afanasov, M.I.","Synthesis and structure of Fe4 (C O)10 (mue2-(C O)) (mue4-Te)2 and 57Fe Moessbauer spectra of Fe3 (C O)9 (mue3-Te)2 and Fe4 (C O)10 (mue2-(C O))(mue4-Te)2","Journal of Organometallic Chemistry","1998","561","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","145076","2020-10-21","18:00:00",""
"4031745","13.641","0.004","13.069","0.004","10.529","0.002","90","","90","","90","","1877","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","0.5","","Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.","The Journal of organic chemistry","2015","80","24","12006","12014","10.1021/acs.joc.5b01921","","","0.71073","MoKα","","0.1654","0.0707","","","0.1578","0.2071","","","","","","1.01","","","","has coordinates","173593","2020-10-21","18:00:00",""
"4031840","48.644","0.006","13.8778","0.001","32.023","0.003","90","","90","","90","","21618","4","93","","93","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C141.75 H124.5 Cl2.5 O0.5 -","- C141.75 H124.5 Cl2.5 O0.5001 -","- C1134 H996 Cl20 O4.0008 -","8","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0539","0.0513","","","0.1234","0.1246","","","","","","1.16","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4032622","12.1123","0.0002","25.4859","0.0005","31.6032","0.0007","90","","90","","90","","9755.7","0.3","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C392 H344 N40 O16 S16 Zn8 -","8","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.0671","0.0488","","0.1302","0.1157","0.1297","","","","","","1.0486","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4033111","17.066","0.003","12.178","0.002","16.125","0.003","90","","90","","90","","3351.3","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C144 H144 B12 N12 O24 -","12","1.5","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0809","0.0686","","","0.1909","0.2038","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033539","29.379","0.017","33.67","0.02","11.409","0.011","90","","90","","90","","11286","14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36.12 H35.25 Cl0.25 N -","- C36.125 H35.25 Cl0.25 N -","- C578 H564 Cl4 N16 -","16","2","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.1152","0.0565","","","0.1112","0.1326","","","","","","1.009","","","","has coordinates,has disorder","227594","2020-10-21","18:00:00",""
"4033753","18.22","0.004","23.595","0.005","8.884","0.002","90","","90","","90","","3819.2","1.4","297","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H18 Cl F N2 -","- C24 H18 Cl F N2 -","- C192 H144 Cl8 F8 N16 -","8","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.1006","0.0448","","","0.1068","0.1252","","","","","","0.994","","","","has coordinates","222328","2020-10-21","18:00:00",""
"4034010","20.0831","0.0009","7.6632","0.0003","10.9517","0.0005","90","","90","","90","","1685.48","0.13","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H14 O -","- C11 H14 O -","- C88 H112 O8 -","8","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0524","0.052","","","0.1317","0.1321","","","","","","1.098","","","","has coordinates","222569","2020-10-21","18:00:00",""
"4034302","26.407","0.001","16.6742","0.0008","7.0484","0.0004","90","","90","","90","","3103.5","0.3","140","2","140","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C25 H14 N -","- C25 H14 N -","- C200 H112 N8 -","8","1","","Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne","Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity.","The Journal of organic chemistry","2019","84","9","5383","5393","10.1021/acs.joc.9b00389","","","0.71073","MoKα","","0.1279","0.056","","","0.1074","0.1375","","","","","","0.987","","","","has coordinates","222846","2020-10-21","18:00:00",""
"4034574","16.2705","0.0002","23.0829","0.0003","16.4391","0.0002","90","","90","","90","","6174.04","0.13","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O4 -","- C16 H13 Cl N2 O4 -","- C256 H208 Cl16 N32 O64 -","16","2","","Xing, Linlin; Zhang, Yong; Zhang, Yilin; Ai, Zhenkang; Li, Xuemin; Du, Yunfei; Deng, Jun; Zhao, Kang","Regioselective Chlorolactonization of Styrene-Type Carboxylic Esters and Amides via PhICl<sub>2</sub>-Mediated Oxidative C-O/C-Cl Bond Formations.","The Journal of organic chemistry","2019","84","21","13832","13840","10.1021/acs.joc.9b02022","","x-ray","1.54184","CuKα","","0.0698","0.0557","","","0.1443","0.1564","","","","","","1.023","","","","has coordinates,has disorder","223062","2020-10-21","18:00:00",""
"4035006","11.8101","0.0012","22.902","0.002","8.8367","0.0009","90","","90","","90","","2390.1","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 O6 S -","- C24 H30 O6 S -","- C96 H120 O24 S4 -","4","0.5","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0423","0.0361","","","0.0905","0.0956","","","","","","1.048","","","","has coordinates","226510","2020-10-21","18:00:00",""
"4035566","13.97","0.002","32.97","0.005","7.0999","0.0011","90","","90","","90","","3270.1","0.8","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C144 H128 N16 O32 S8 -","8","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.0831","0.0652","","","0.1381","0.1468","","","","","","1.1","","","","has coordinates","227014","2020-10-21","18:00:00",""
"4035786","18.6639","0.0014","19.7338","0.0016","30.808","0.003","90","","90","","90","","11346.9","1.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H30 N2 O -","- C34 H30 N2 O -","- C544 H480 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1303","0.0696","","","0.1813","0.2203","","","","","","1.059","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4036271","14.3724","0.0017","15.465","0.0019","11.7888","0.0014","90","","90","","90","","2620.3","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H12 Cl3 N O2 -","- C11 H12 Cl3 N O2 -","- C88 H96 Cl24 N8 O16 -","8","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.024","0.0226","","","0.0588","0.0599","","","","","","1.023","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036422","35.671","0.008","11.8593","0.0017","11.2791","0.0016","90","","90","","90","","4771.4","1.4","295","2","295","2","","","","","","","Synthesis as described","5","P c c n","-P 2ab 2ac","56","","10,10-Dimethyl-8-oxo-7-phenyl-7,8,9,10,11,12-hexahydropyrimido[1',2':2,3] [1,2,4]triazolo[5,1-b]quinazolin-6-ium perchlorate","","- C20 H20 Cl N5 O5 -","- C20 H20 Cl N5 O5 -","- C160 H160 Cl8 N40 O40 -","8","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.54186","CuKα","","0.0869","0.0432","","","0.0955","0.1125","","","","","","0.893","","","","has coordinates","234667","2020-10-21","18:00:00",""
"4036669","18.0157","0.0006","24.8696","0.0008","7.5007","0.0003","90","","90","","90","","3360.6","0.2","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Cl N O3 S -","- C18 H12 Cl N O3 S -","- C144 H96 Cl8 N8 O24 S8 -","8","1","","Bharathiraja, Ganesan; Sathishkannan, Gopal; Punniyamurthy, Tharmalingam","Domino Synthesis of Tetrasubstituted Thiophenes from 1,3-Enynes with Mercaptoacetaldehyde.","The Journal of organic chemistry","2016","81","6","2670","2674","10.1021/acs.joc.6b00231","","","0.71073","MoKα","","0.0852","0.0441","","","0.1093","0.1237","","","","","","1.058","","","","has coordinates","235054","2020-10-21","18:00:00",""
"4036688","8.376","0.004","15.294","0.007","15.064","0.007","90","","90","","90","","1929.7","1.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7 H10 F4 O4 -","- C7 H10 F4 O4 -","- C56 H80 F32 O32 -","8","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.1272","0.0857","","","0.1622","0.1852","","","","","","1.15","","","","has coordinates,has disorder","235077","2020-10-21","18:00:00",""
"4036954","16.2407","0.0005","18.9857","0.0006","12.4646","0.0004","90","","90","","90","","3843.3","0.2","101","2","100.94","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0394","0.0351","","","0.0885","0.092","","","","","","1.037","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4037285","28.653","0.006","9.7201","0.0019","18.842","0.004","90","","90","","90","","5247.7","1.9","300","2","300","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C70 H52 N4 O -","- C70 H52 N4 O -","- C280 H208 N16 O4 -","4","0.5","","Jana, Sourav; Dey, Amrita; Singsardar, Mukta; Bagdi, Avik K.; Hajra, Alakananda","Zn(OTf)<sub>2</sub>-Catalyzed Synthesis of Imidazole-Substituted Allenes.","The Journal of organic chemistry","2016","81","19","9489","9493","10.1021/acs.joc.6b01916","","","0.71073","MoKα","","0.095","0.0462","","","0.12","0.1522","","","","","","0.921","","","","has coordinates","235893","2020-10-21","18:00:00",""
"4037329","16.6112","0.0011","24.0764","0.0016","7.073","0.0005","90","","90","","90","","2828.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C136 H136 N8 O32 -","8","1","","Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T.","The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores.","The Journal of organic chemistry","2016","81","22","10955","10963","10.1021/acs.joc.6b01998","","","0.71073","MoKα","","0.0637","0.044","","","0.1034","0.1108","","","","","","1.017","","","","has coordinates","235963","2020-10-21","18:00:00",""
"4037386","16.6129","0.0009","21.6105","0.0011","9.1858","0.0004","90","","90","","90","","3297.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","SMHIX-077-1-Lrf","sarpong119","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C136 H128 N16 O32 -","8","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0571","0.0472","","","0.1271","0.1353","","","","","","1.033","","","","has coordinates","236059","2020-10-21","18:00:00",""
"4037861","11.4374","0.0005","25.6538","0.0009","7.4152","0.0003","90","","90","","90","","2175.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C48 H104 Cl8 F24 N8 O24 -","8","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.109","0.0623","","","0.1733","0.1978","","","","","","0.993","","","","has coordinates","247268","2020-10-21","18:00:00",""
"4038004","15.0812","0.0002","34.7282","0.0006","7.2597","0.0001","90","","90","","90","","3802.22","0.1","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0508","0.0499","","","0.1169","0.1171","","","","","","1.041","","","","has coordinates,has disorder","248678","2020-10-21","18:00:00",""
"4038005","15.5055","0.0002","34.3595","0.0004","7.165","0.0001","90","","90","","90","","3817.23","0.09","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0402","0.0335","","","0.0897","0.0935","","","","","","1.054","","","","has coordinates","248679","2020-10-21","18:00:00",""
"4038044","24.66","0.002","32.376","0.003","14.076","0.0013","90","","90","","90","","11238.2","1.7","298","2","298.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C100 H142 Br4 Cl2 N4 O28 Si4 -","- C101 H142 Br4 Cl2 N4 O28 Si4 -","- C404 H568 Br16 Cl8 N16 O112 Si16 -","4","0.5","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","0.71073","MoKα","","0.1942","0.0565","","","0.1287","0.1563","","","","","","0.764","","","","has coordinates","249182","2020-10-21","18:00:00",""
"4038078","11.4534","0.0006","27.6502","0.0015","9.7523","0.0005","90","","90","","90","","3088.4","0.3","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C176 H120 N24 -","8","1","","Yee, Nathan; Dadvand, Afshin; Perepichka, Dmitrii F.","Serendipitous Formation of Semiconducting Semi-Nindigo Indigoid by the Degradation of Diindolopyrrole.","The Journal of organic chemistry","2020","85","7","5073","5077","10.1021/acs.joc.0c00054","","x-ray","1.34139","GaKα","","0.0663","0.0551","","","0.1256","0.1328","","","","","","1.107","","","","has coordinates","250111","2020-10-21","18:00:00",""
"4038143","16.8351","0.0005","25.1745","0.0008","7.294","0.0002","90","","90","","90","","3091.31","0.16","170","2","170","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H13 F2 N O -","- C22 H13 F2 N O -","- C176 H104 F16 N8 O8 -","8","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0571","0.044","","","0.1174","0.1298","","","","","","1.049","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038736","31.461","0.005","32.311","0.004","7.4331","0.0009","90","","90","","90","","7556","1.8","123","2","123","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H19 N -","- C28 H19 N -","- C448 H304 N16 -","16","2","","Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01622","","","0.71073","MoKα","","0.0789","0.0461","","","0.1033","0.1248","","","","","","1.02","","","","has coordinates,has disorder","256311","2020-10-21","18:00:00",""
"4060007","17.8302","0.0011","23.4425","0.0014","9.1356","0.0006","90","","90","","90","","3818.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H21 F6 N3 S -","- C17 H21 F6.003 N3 S -","- C136 H168 F48.024 N24 S8 -","8","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.71073","MoKα","","0.0777","0.0675","","","0.1653","0.1731","","","","","","1.057","","","","has coordinates,has disorder","277847","2022-09-14","22:27:49",""
"4060444","12.56","0.003","20.652","0.004","33.098","0.007","90","","90","","90","","8586","3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C41.5 H56.5 Li N2 O P2 -","- C41.5 H56.5 Li N2 O P2 -","- C332 H452 Li8 N16 O8 P16 -","8","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061183","25.117","0.0001","25.671","0.0002","13.074","0.0002","90","","90","","90","","8429.83","0.15","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H23 I O2 Sn -","- C22 H23 I O2 Sn -","- C352 H368 I16 O32 Sn16 -","16","2","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Rǔžička, Aleš; Císařová, Ivana; Holeček, Jaroslav","Quest for Organotin(IV) Cations Containing O,C,O-Chelating Ligands","Organometallics","2004","","","","","10.1021/om049636f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062086","18.44","0.002","22.5372","0.0012","15.9042","0.0018","90","","90","","90","","6609.7","1.1","223","2","223","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C36 H54 Ru3 -","- C36 H52 Ru3 -","- C288 H416 Ru24 -","8","1","","Akiko Inagaki; Toshiro Takao; Makoto Moriya; Hiroharu Suzuki","Thermal Skeletal Rearrangement of a nido-Ruthenacyclopentadiene Complex Involving Reversible Rapture and Formation of a Ruthenium-Ruthenium Bond","Organometallics","2003","22","11","2196","2198","10.1021/om030175s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063102","16.422","0.002","13.24","0.002","13.444","0.002","90","","90","","90","","2923.1","0.7","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[CpRuBr(mue-S-t-Bu)2BrRuCp].solv","","","- C18 H28 Br2 Ru2 S2 -","- C18 H28 Br2 Ru2 S2 -","- C72 H112 Br8 Ru8 S8 -","4","0.5","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063144","14.6845","0.0016","23.524","0.003","27.959","0.003","90","","90","","90","","9658.1","1.9","91","2","91","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","Ge5[Jeff*]4.3toluene","","","- C117 H124 Ge5 -","- C117 H124 Ge5 -","- C468 H496 Ge20 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049921z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063701","14.2083","0.0005","15.4906","0.0006","18.3401","0.0007","90","","90","","90","","4036.6","0.3","150","2","150","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","[(CF3PCP)Ir(H)(CO)]2(u-Cl)+SbF6-","","","- C26 H16 Cl F30 Ir2 O2 P4 Sb -","- C26 H16 Cl F30 Ir2 O2 P4 Sb -","- C104 H64 Cl4 F120 Ir8 O8 P16 Sb4 -","4","0.5","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.0594","0.031","","","0.057","0.0652","","","","","","1.012","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4065033","16.7657","0.0011","10.9727","0.0007","15.5477","0.001","90","","90","","90","","2860.2","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H16 Cl2 F8 N2 O2 Ti -","- C22 H16 Cl2 F8 N2 O2 Ti -","- C88 H64 Cl8 F32 N8 O8 Ti4 -","4","0.5","","Hong, Miao; Wang, Yong-Xia; Mu, Hong-Liang; Li, Yue-Sheng","Efficient Synthesis of Hydroxylated Polyethylene via Copolymerization of Ethylene with 5-Norbornene-2-methanol using Bis(β-enaminoketonato)titanium Catalysts","Organometallics","2011","30","17","4678","","10.1021/om200526n","","","0.71073","MoKα","","0.0589","0.0544","","","0.1591","0.1643","","","","","","1.059","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065427","26.14","0.0008","13.6646","0.0004","20.0256","0.0007","90","","90","","90","","7153","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C62 H122 Li2 N8 O3 Y2 -","- C62 H122 Li2 N8 O3 Y2 -","- C248 H488 Li8 N32 O12 Y8 -","4","0.5","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","","0.71073","MoKα","","0.0671","0.0416","","","0.1007","0.1093","","","","","","1.051","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065462","15.4313","0.0004","20.7211","0.0007","19.7639","0.0005","90","","90","","90","","6319.6","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H26 I4 N7 O0.5 Pd2 -","- C20 H26 I4 N7 O0.5 Pd2 -","- C160 H208 I32 N56 O4 Pd16 -","8","1","","Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo","A Y-Shaped Tris-N-Heterocyclic Carbene for the Synthesis of Simultaneously Chelate-Monodentate Dipalladium Complexes","Organometallics","2011","30","21","5985","","10.1021/om200820s","","x-ray","0.71073","MoKα","","0.0638","0.0428","","","0.1104","0.1279","","","","","","1.052","","","","has coordinates","271475","2021-12-16","11:44:29",""
"4065519","15.873","0.003","32.135","0.006","12.193","0.002","90","","90","","90","","6219.4","1.9","115.1","","110.15","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C35 H51 N3 -","- C35 H51 N3 -","- C280 H408 N24 -","8","1","","Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin","Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3","Organometallics","2011","30","21","6028","","10.1021/om200899f","","","0.71073","MoKα","","0.172","0.1219","","","0.2356","0.2615","","","","","","1.234","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4066000","14.9919","0.0017","31.304","0.003","14.8308","0.0017","90","","90","","90","","6960.2","1.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C28.5 H43 B Cl F6 N7 Os P2 -","- C28.5 H43 B Cl F6 N7 Os P2 -","- C228 H344 B8 Cl8 F48 N56 Os8 P16 -","8","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; López, Fernando; Mascareñas, José L.; Mozo, Silvia; Oñate, Enrique; Saya, Lucía","Ring Expansion versusexo−endoIsomerization in (2-Pyridyl)methylenecyclobutane Coordinated to Hydrido(trispyrazolyl)borate- and Cyclopentadienyl-Osmium Complexes","Organometallics","2010","29","10","2372","","10.1021/om100243w","","","0.71073","MoKα","","0.1024","0.0533","","","0.087","0.1","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068157","22.1049","0.0011","21.2338","0.0014","10.07","0.002","90","","90","","90","","4726.6","1","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H30 F6 N4 P Rh -","- C22 H30 F6 N4 P Rh -","- C176 H240 F48 N32 P8 Rh8 -","8","1","","Gierz, Verena; Maichle-Mössmer, Cäcilia; Kunz, Doris","1,10-Phenanthroline Analogue Pyridazine-Based N-Heterocyclic Carbene Ligands","Organometallics","2012","31","2","739","","10.1021/om2011547","","","0.71073","MoKα","","0.1071","0.0815","","","0.1391","0.1476","","","","","","1.222","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068540","11.693","0.0002","12.3169","0.0002","32.8766","0.0007","90","","90","","90","","4734.94","0.15","138","2","138","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H42 Mn -","- C26 H42 Mn -","- C208 H336 Mn8 -","8","1","","Walter, Marc D.; Sofield, Chadwick D.; Booth, Corwin H.; Andersen, Richard A.","Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies","Organometallics","2009","28","7","2005","","10.1021/om800922j","","","0.71073","MoKα","","0.1068","0.0687","","","0.1287","0.1446","","","","","","1.177","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068722","14.814","0.006","28.694","0.012","11.889","0.005","90","","90","","90","","5054","4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C21 H40 F6 N2 Os P2 -","- C21 H40 F6 N2 Os P2 -","- C168 H320 F48 N16 Os8 P16 -","8","1","","Esteruelas, Miguel A.; Fuertes, Sara; Oliván, Montserrat; Oñate, Enrique","Behavior of OsH2Cl2(PiPr3)2in Acetonitrile: The Importance of the Small Details","Organometallics","2009","28","5","1582","","10.1021/om801057z","","","0.71073","MoKα","","0.0668","0.0523","","","0.0887","0.0928","","","","","","1.232","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4069589","23.944","0.003","10.0822","0.0011","21.529","0.002","90","","90","","90","","5197.3","1","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C52 H62 Br2 N2 Pd -","- C52 H62 Br2 N2 Pd -","- C208 H248 Br8 N8 Pd4 -","4","0.5","","Vicente, José; Saura-Llamas, Isabel; Turpín, Juana; Bautista, Delia; de Arellano, Carmen Ramírez; Jones, Peter G.","Insertion of One, Two, and Three Molecules of Alkyne into the Pd−C Bond of Ortho-palladated Primary and Secondary Arylalkylamines","Organometallics","2009","28","14","4175","","10.1021/om9002895","","","0.71073","MoKα","","0.1299","0.052","","","0.1147","0.1356","","","","","","0.837","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069905","14.6941","0.0016","15.851","0.002","17.712","0.003","90","","90","","90","","4125.4","1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H16 B Li N4 -","- C20 H16 B Li N4 -","- C160 H128 B8 Li8 N32 -","8","1","","Tsoureas, Nikolaos; Bevis, Thomas; Butts, Craig P.; Hamilton, Alex; Owen, Gareth R.","Further Exploring the “Sting of the Scorpion”: Hydride Migration and Subsequent Rearrangement of Norbornadiene to Nortricyclyl on Rhodium(I)","Organometallics","2009","28","17","5222","","10.1021/om900499v","","","0.71073","MoKα","","0.1682","0.0804","","","0.1976","0.2312","","","","","","0.975","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070617","12.0644","0.0004","14.0753","0.0004","11.8832","0.0004","90","","90","","90","","2017.89","0.11","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H12 N4 O8 Re2 -","- C16 H12 N4 O8 Re2 -","- C64 H48 N16 O32 Re8 -","4","0.5","","Wu, Jing-Yun; Thanasekaran, P.; Cheng, Yi-Wei; Lee, Chung-Chou; Manimaran, B.; Rajendran, T.; Liao, Rong-Tang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Unprecedented Reduction of 2,2′-Bipyrimidine in a One-Pot Synthesis of Neutral Rhenium(I)-Based Molecular Rectangles","Organometallics","2008","27","9","2141","","10.1021/om700873x","","","0.71073","MoKα","","0.0336","0.0206","","","0.0465","0.0491","","","","","","1.011","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4071215","17.472","0.004","22.229","0.004","12.832","0.003","90","","90","","90","","4983.8","1.9","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Hf2 P2 -","- C26 H36 Hf2 P2 -","- C208 H288 Hf16 P16 -","8","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.0629","0.0466","","","0.0831","0.0885","","","","","","1.126","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071336","10.7392","0.0006","18.4417","0.001","20.2836","0.0011","90","","90","","90","","4017.1","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H48 N4 Ni O2 -","- C44 H48 N4 Ni O2 -","- C176 H192 N16 Ni4 O8 -","4","0.5","","Scott, Natalie M.; Clavier, Hervé; Mahjoor, Parisa; Stevens, Edwin D.; Nolan, Steven P.","Synthetic, Structural, and Thermochemical Studies of N-Heterocyclic Carbene (NHC) and Tertiary Phosphine Ligands in the [(L)2Ni(CO)2] (L = PR3, NHC) System","Organometallics","2008","27","13","3181","","10.1021/om8001125","","","0.71073","MoKα","","0.0345","0.0316","","","0.0607","0.0619","","","","","","1.135","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071673","27.28","0.004","14.993","0.001","19.193","0.003","90","","90","","90","","7850.1","1.8","153","2","153","2","","","","","","","synthesis as described","6","P c c n","-P 2ab 2ac","56","","","","- C68 H15 Mo N O3 S2 -","- C68 H15 Mo N O3 S2 -","- C544 H120 Mo8 N8 O24 S16 -","8","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene","Organometallics","2008","27","18","4611","","10.1021/om800308n","","x-ray","0.71073","MoKα","","0.1773","0.1567","","","0.4176","0.4396","","","","","","1.769","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071748","11.0661","0.0003","14.367","0.0004","20.2719","0.0005","90","","90","","90","","3222.96","0.15","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H48 Ir N O P2 -","- C33 H46 Ir N O P2 -","- C132 H184 Ir4 N4 O4 P8 -","4","0.5","","Romero, Patricio E.; Whited, Matthew T.; Grubbs, Robert H.","Multiple C−H Activations of Methyltert-Butyl Ether at Pincer Iridium Complexes: Synthesis and Thermolysis of Ir(I) Fischer Carbenes1","Organometallics","2008","27","14","3422","","10.1021/om8003515","","","0.71073","MoKα","","0.0646","0.0365","","","0.0722","0.0787","","","","","","1.527","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071957","37.304","0.0009","16.6904","0.0003","8.9689","0.0002","90","","90","","90","","5584.2","0.2","180","1","180","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Compound 1","","","- C29 H40 Si2 Zr -","- C29 H40 Si2 Zr -","- C232 H320 Si16 Zr8 -","8","1","","Alonso-Moreno, Carlos; Lancaster, Simon J.; Wright, Joseph A.; Hughes, David L.; Zuccaccia, Cristiano; Correa, Andrea; Macchioni, Alceo; Cavallo, Luigi; Bochmann, Manfred","Ligand Mobility and Solution Structures of the Metallocenium Ion Pairs [Me2C(Cp)(fluorenyl)MCH2SiMe3+···X−] (M = Zr, Hf; X = MeB(C6F5)3, B(C6F5)4)","Organometallics","2008","27","21","5474","","10.1021/om800486p","","x-ray","0.71073","Mo-Kα","","0.1192","0.0642","","","0.1008","0.1121","","","","","","1.043","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4072112","34.0276","0.0009","10.3059","0.0003","19.5596","0.0005","90","","90","","90","","6859.3","0.3","203","2","203","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","{1,4-[(DIPP-NC(Me)CHC(Me)-N]2-C6H4}Ca2[N(TMS)2]2(THF)2","","","- C30 H52 Ca N3 O Si2 -","- C30 H52 Ca N3 O Si2 -","- C240 H416 Ca8 N24 O8 Si16 -","8","1","","Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd","Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization","Organometallics","2008","27","23","6178","","10.1021/om800597f","","","0.71073","MoKα","","0.0897","0.0495","","","0.122","0.147","","","","","","1.029","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072552","14.8158","0.0003","17.7164","0.0004","10.5482","0.0003","90","","90","","90","","2768.72","0.12","150","1","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H30 F6 O8 Pt2 S2 -","- C16 H30 F6 O8 Pt2 S2 -","- C64 H120 F24 O32 Pt8 S8 -","4","0.5","","Hsieh, Vicki; De Crisci, Antonio G.; Lough, Alan J.; Fekl, Ulrich","Lewis-Acidity of Trimethylplatinum(IV) with Labile Oxygen-Donor Ligands","Organometallics","2007","26","4","938","","10.1021/om060787n","","","0.71073","MoKα","","0.0628","0.0403","","","0.0902","0.102","","","","","","1.022","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072625","10.9117","0.0006","12.6771","0.0007","19.9643","0.001","90","","90","","90","","2761.6","0.3","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H36 Au Br N2 -","- C27 H36 Au Br N2 -","- C108 H144 Au4 Br4 N8 -","4","0.5","","de Frémont, Pierre; Singh, Rohit; Stevens, Edwin D.; Petersen, Jeffrey L.; Nolan, Steven P.","Synthesis, Characterization and Reactivity ofN-Heterocyclic Carbene Gold(III) Complexes","Organometallics","2007","26","6","1376","","10.1021/om060887t","","","0.71073","MoKα","","0.0552","0.0321","","","0.0758","0.087","","","","","","1.014","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072630","15.0878","0.0009","19.9495","0.0013","14.6881","0.0009","90","","90","","90","","4421","0.5","568","2","568","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15.5 H25 Au Br3 Cl N2 -","- C15.5 H25 Au Br3 Cl N2 -","- C124 H200 Au8 Br24 Cl8 N16 -","8","1","","de Frémont, Pierre; Singh, Rohit; Stevens, Edwin D.; Petersen, Jeffrey L.; Nolan, Steven P.","Synthesis, Characterization and Reactivity ofN-Heterocyclic Carbene Gold(III) Complexes","Organometallics","2007","26","6","1376","","10.1021/om060887t","","","0.71073","MoKα","","0.0514","0.0438","","","0.1339","0.1359","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072737","17.9343","0.0001","19.0862","0.0003","8.9428","0.0001","90","","90","","90","","3061.1","0.06","198","2","198","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H40 Br2 N2 Os2 -","- C32 H40 Br2 N2 Os2 -","- C128 H160 Br8 N8 Os8 -","4","0.5","","Gross, Christopher L.; Brumaghim, Julia L.; Girolami, Gregory S.","Synthesis and Reactivity of the Osmium(III) Pentamethylcyclopentadienyl Complex (C5Me5)2Os2Br4. X-ray Crystal Structures of (C5Me5)2Os2Br4, (C5Me5)2Os2(μ-O)Br4, and (C5Me5)2Os2(μ-NPh)2Br2","Organometallics","2007","26","9","2258","","10.1021/om060983u","","","0.71073","MoKα","","0.0484","0.0357","","","0.0848","0.0927","","","","","","1.1","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4073146","18.113","0.0005","31.033","0.0009","8.745","0.0016","90","","90","","90","","4915.6","0.9","130","2","130","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C19 H27 F3 N O6 S Ta -","- C19 H27 F3 N O6 S Ta -","- C152 H216 F24 N8 O48 S8 Ta8 -","8","1","","Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana","Water-Soluble Organometallic Complexes of Tantalum: Can Alkyl and Aqua Ligands Coexist in Its Coordination Sphere?","Organometallics","2007","26","7","1568","","10.1021/om0701165","","","0.71073","MoKα","","0.0651","0.0407","","","0.0925","0.1012","","","","","","1.033","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073378","13.6444","0.0006","20.3701","0.001","21.6915","0.001","90","","90","","90","","6028.9","0.5","113","2","113","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C64 H90 Ga2 N4 Ni3 -","- C64 H90 Ga2 N4 Ni3 -","- C256 H360 Ga8 N16 Ni12 -","4","0.5","","Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.","Nickel Olefin Complexes Supported by GaI(DDP)†","Organometallics","2007","26","17","4257","","10.1021/om700297t","","","0.71073","MoKα","","0.0726","0.0327","","","0.0685","0.073","","","","","","0.811","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073715","24.961","0.0001","25.659","0.0002","12.819","0.0002","90","","90","","90","","8210.24","0.15","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H23 Cl O2 Sn -","- C22 H23 Cl O2 Sn -","- C352 H368 Cl16 O32 Sn16 -","16","2","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥","Organometallics","2007","26","25","6312","","10.1021/om700576n","","","0.7107","MoKα","","0.0412","0.0294","","","0.0701","0.0755","","","","","","1.055","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4073815","12.0533","0.0013","22.984","0.003","11.395","0.0012","90","","90","","90","","3156.8","0.6","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H11 F Fe O4 -","- C18 H11 F Fe O4 -","- C144 H88 F8 Fe8 O32 -","8","1","","Moulton, Benjamin E.; Duhme-Klair, Anne K.; Fairlamb, Ian J. S.; Lynam, Jason M.; Whitwood, Adrian C.","A Rationale for the Linear Correlation of Aryl Substituent Effects in Iron(0) Tricarbonyl Complexes Containing α,β-Unsaturated Enone (Chalcone) Ligands","Organometallics","2007","26","25","6354","","10.1021/om7006425","","","0.71073","MoKα","","0.0638","0.0417","","","0.0963","0.1063","","","","","","1.029","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4074013","14.729","0.004","20.074","0.005","6.2507","0.0016","90","","90","","90","","1848.1","0.8","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H18 N4 Pt -","- C20 H18 N4 Pt -","- C80 H72 N16 Pt4 -","4","0.5","","Dylla, Anthony G.; Janzen, Daron E.; Pomije, Marie K.; Mann, Kent R.","A Comparison of Isomers: trans- andcis-Dicyanobis(para-ethylisocyanobenzene)Platinum","Organometallics","2007","26","25","6243","","10.1021/om7008167","","","0.71073","MoKα","","0.0616","0.0407","","","0.0944","0.1007","","","","","","1.056","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074566","16.841","0.005","22.372","0.005","15.725","0.005","90","","90","","90","","5925","3","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H50 Eu N2 -","- C30 H50 Eu N2 -","- C240 H400 Eu8 N16 -","8","1","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71069","MoKα","","0.0742","0.0367","","","0.0782","0.0938","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074619","16.8549","0.0016","37.45","0.004","8.5661","0.0008","90","","90","","90","","5407.1","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H36 N2 O Zr -","- C30 H36 N2 O Zr -","- C240 H288 N16 O8 Zr8 -","8","1","","Liu, Yuanhong; Yan, Bin","Direct Reaction of Aroyl Cyanides with Azazirconacyclopentadienes: Synthesis and Structural Characterization of Stabilized Azazirconacyclopentenes","Organometallics","2006","25","2","544","","10.1021/om0506264","","","0.71073","MoKα","","0.1022","0.0463","","","0.1075","0.145","","","","","","0.829","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4075078","10.657","0.0005","12.6628","0.0006","19.749","0.001","90","","90","","90","","2665.1","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H36 Ag Cl N2 -","- C27 H36 Ag Cl N2 -","- C108 H144 Ag4 Cl4 N8 -","4","0.5","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71073","MoKα","","0.0318","0.0213","","","0.0579","0.0623","","","","","","1.068","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075229","10.02","0.002","17.796","0.004","19.966","0.004","90","","90","","90","","3560.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H58 Mg O2 Si6 -","- C22 H58 Mg O2 Si6 -","- C88 H232 Mg4 O8 Si24 -","4","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.0848","0.0552","","","0.1363","0.1461","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075230","10.069","0.002","18.334","0.004","19.739","0.004","90","","90","","90","","3643.9","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H58 Mg O4 Si6 -","- C22 H58 Mg O4 Si6 -","- C88 H232 Mg4 O16 Si24 -","4","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1114","0.1003","","","0.2166","0.2233","","","","","","1.224","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075393","25.7248","0.002","21.1152","0.0017","8.6368","0.0008","90","","90","","90","","4691.4","0.7","120","1","120","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H26 Cl3 O2 Ta -","- C16 H26 Cl3 O2 Ta -","- C128 H208 Cl24 O16 Ta8 -","8","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.1383","0.0679","","","0.1602","0.1843","","","","","","1.033","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075420","12.264","0.001","16.982","0.001","25.395","0.001","90","","90","","90","","5288.9","0.6","198","2","198","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C64 H64 Cl2 O2 Zr2 -","- C64 H64 Cl2 O2 Zr2 -","- C256 H256 Cl8 O8 Zr8 -","4","0.5","","Paradies, Jan; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","[2+2]-Cycloaddition and Subsequentmeso/racansa-Metallocene Interconversion by Photolysis of a Bis(1,3-dialkenylcyclopentadienyl)zirconium Complex","Organometallics","2006","25","16","3920","","10.1021/om060269c","","","0.71073","MoKα","","0.1148","0.0569","","","0.1366","0.1607","","","","","","1.045","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075489","10.3253","0.0002","13.5674","0.0003","14.9591","0.0003","90","","90","","90","","2095.58","0.07","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H18 F10 N2 Zn -","- C20 H18 F10 N2 Zn -","- C80 H72 F40 N8 Zn4 -","4","0.5","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.034","0.03","","","0.0744","0.0776","","","","","","1.056","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075515","20.7678","0.0012","21.2375","0.0011","18.4101","0.0011","90","","90","","90","","8119.9","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H63 Mg Na O3 -","- C38 H63 Mg Na O3 -","- C304 H504 Mg8 Na8 O24 -","8","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.1418","0.0648","","","0.1723","0.2054","","","","","","1.013","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075530","17.4698","0.0008","24.6082","0.0011","7.3072","0.0003","90","","90","","90","","3141.4","0.2","136","2","136","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C21 H26 -","- C21 H26 -","- C168 H208 -","8","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.0524","0.0387","","","0.0955","0.0988","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075944","18.3537","0.0006","23.3319","0.0008","23.5876","0.0012","90","","90","","90","","10100.8","0.7","133","2","133","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H68 Ag B F4 N4 -","- C54 H68 Ag B F4 N4 -","- C432 H544 Ag8 B8 F32 N32 -","8","1","","Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc","Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis","Organometallics","2005","24","16","4049","","10.1021/om0503242","","","0.71073","MoKα","","0.0743","0.0476","","","0.1347","0.1468","","","","","","1.004","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4076265","10.6855","0.001","12.7453","0.0012","19.1833","0.0018","90","","90","","90","","2612.6","0.4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H36 Cl Cu N2 -","- C27 H36 Cl Cu N2 -","- C108 H144 Cl4 Cu4 N8 -","4","0.5","","Kaur, Harneet; Zinn, Fabiano Kauer; Stevens, Edwin D.; Nolan, Steven P.","(NHC)CuI(NHC = N-Heterocyclic Carbene) Complexes as Efficient Catalysts for the Reduction of Carbonyl Compounds","Organometallics","2004","23","5","1157","","10.1021/om034285a","","","0.71073","MoKα","","0.0568","0.0359","","","0.141","0.1712","","","","","","1.086","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076415","18.2835","0.0003","22.4887","0.0004","15.8839","0.0003","90","","90","","90","","6531","0.2","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H53 B Ru3 -","- C34 H46 B Ru3 -","- C272 H368 B8 Ru24 -","8","1","","Takao, Toshiro; Suwa, Hitoshi; Okamura, Rei; Suzuki, Hiroharu","Formation of a Boraruthenacyclopentenyl Skeleton via B–C Bond Formation across a Triruthenium Plane","Organometallics","2012","31","5","1825","","10.1021/om201186z","","","0.71069","MoKα","","0.0458","0.0432","","","0.0967","0.0979","","","","","","1.21","","","","has coordinates","288539","2023-12-24","00:56:18",""
"4076422","20.483","0.004","14.542","0.002","18.93","0.005","90","","90","","90","","5639","2","230","2","230","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C26 H27 F3 N O6 S Ta -","- C26 H27 F3 N O6 S Ta -","- C208 H216 F24 N8 O48 S8 Ta8 -","8","1","","Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara","Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity","Organometallics","2012","31","5","1849","","10.1021/om201199p","","","0.71073","MoKα","","0.1148","0.0567","","","0.1268","0.1466","","","","","","0.869","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076971","24.961","0.0001","25.659","0.0002","12.819","0.0002","90","","90","","90","","8210.24","0.15","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H23 Cl O2 Sn -","- C22 H23 Cl O2 Sn -","- C352 H368 Cl16 O32 Sn16 -","16","2","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0412","0.0294","","","0.0701","0.0755","","","","","","1.055","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4077158","6.6799","0.0013","12.698","0.003","21.689","0.004","90","","90","","90","","1839.7","0.7","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C16 H22 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","0.5","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1281","0.0664","","","0.1935","0.2282","","","","","","1.022","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077524","11.95","0.001","12.387","0.001","19.381","0.001","90","","90","","90","","2868.9","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H47 Al N4 Si4 -","- C16 H47 Al N4 Si4 -","- C64 H188 Al4 N16 Si16 -","4","0.5","","Uhl, Werner; Molter, Jens; Neumüller, Bernhard","tert-Butylaluminum Bis[1,2-bis(trimethylsilyl)hydrazide]: The First Alkylaluminum Dihydrazide","Organometallics","2000","19","21","4422","","10.1021/om000330s","","","0.71073","MoKα","","0.0737","0.0567","","","0.1463","0.1585","","","","","","1.161","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077767","7.252","0.0015","16.144","0.003","12.733","0.003","90","","90","","90","","1490.7","0.5","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H13 Cr2 O4 P -","- C14 H13 Cr2 O4 P -","- C56 H52 Cr8 O16 P4 -","4","0.5","","Sekar, Perumal; Scheer, Manfred; Voigt, Andreas; Kirmse, Reinhard","Unusual Reactivity of a Cr2P2Tetrahedral Complex toward Superhydride; Formation of [{CpCr(CO)2}2(μ-PH2)x(μ-H)2-x] (x= 1 and 2) and [\λangle {CpCr(CO)2}2(μ-PH)〉{(CpCr)2(μ,η1:η1:η5:η5-P5)}]†","Organometallics","1999","18","15","2833","","10.1021/om990098u","","","0.71073","MoKα","","0.03","0.0246","","0.0694","0.064","","","","1.102","1.092","1.092","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4078268","19.1003","0.0011","30.6877","0.0018","8.3627","0.0005","90","","90","","90","","4901.7","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","{2,6-[1-(2,6-dimethylphenylimino)ethyl]pyridine}cobalt(I) pi-allyl complex","","- C28 H32 Co N3 -","- C28 H32 Co N3 -","- C224 H256 Co8 N24 -","8","1","","Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.","Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes","Organometallics","2012","31","10","3958","","10.1021/om300182c","","x-ray","0.71073","MoKα","","0.093","0.0435","","","0.1069","0.1443","","","","","","0.992","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078306","18.9994","0.0008","30.2957","0.0013","14.1667","0.0006","90","","90","","90","","8154.4","0.6","87","2","87","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C50 H58 Ge0.96 N2 -","- C50 H58 Ge0.958 N2 -","- C400 H464 Ge7.664 N16 -","8","1","","Brown, Zachary D.; Guo, Jing-Dong; Nagase, Shigeru; Power, Philip P.","Experimental and Computational Study of Auxiliary Molecular Effects on the Mechanism of the Addition of Hydrazines to a Low-Valent Germanium Complex","Organometallics","2012","31","9","3768","","10.1021/om300271c","","","1.54178","CuKα","","0.0621","0.0506","","","0.1382","0.1485","","","","","","0.854","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078844","14.576","0.011","20.042","0.015","4.695","0.003","90","","90","","90","","1371.6","1.7","113","2","113","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H20 N4 O2 -","- C12 H20 N4 O2 -","- C48 H80 N16 O8 -","4","0.5","","Liu, Xia-Li; Zhang, Xiao-Yan; Song, Hai-Bin; Tang, Liang-Fu","Reactivity of Bis(3,5-dimethylpyrazol-1-yl)methyllithium with S or CS2, Followed by Reaction with Fe3(CO)12and Ar3SnCl or RX: Unexpected Formation of (3,5-Dimethylpyrazol-1-yl)dithioformate Derivatives","Organometallics","2012","31","14","5108","","10.1021/om300448a","","","0.71073","MoKα","","0.0588","0.0539","","","0.1397","0.1441","","","","","","1.146","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4080986","20.517","0.002","23.027","0.002","20.4338","0.0019","90","","90","","90","","9653.8","1.5","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H49 Au2 B2 Cl8 F8 N7 -","- C33 H49 Au2 B2 Cl8 F8 N7 -","- C264 H392 Au16 B16 Cl64 F64 N56 -","8","1","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0878","0.0523","","","0.1093","0.1208","","","","","","1.029","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4081023","12.038","0.003","16.006","0.004","21.824","0.005","90","","90","","90","","4205.1","1.8","236","2","236","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C40 H74 N6 Zn2 -","- C40 H74 N6 Zn2 -","- C160 H296 N24 Zn8 -","4","0.5","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.0557","0.0377","","","0.0936","0.1061","","","","","","1.026","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081025","13.026","0.008","20.302","0.008","22.688","0.011","90","","90","","90","","6000","5","223","2","223","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C58 H82 N6 Zn2 -","- C58 H82 N6 Zn2 -","- C232 H328 N24 Zn8 -","4","0.5","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.0605","0.0452","","","0.1237","0.1342","","","","","","0.919","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081089","18.79","0.03","21.41","0.03","7.767","0.01","90","","90","","90","","3125","8","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C40 H36 N2 -","- C40 H36 N2 -","- C160 H144 N8 -","4","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.1154","0.063","","","0.1149","0.1382","","","","","","1.051","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081123","15.927","0.004","11.063","0.002","15.906","0.003","90","","90","","90","","2802.6","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H46 Cl2 N4 Ti -","- C22 H46 Cl2 N4 Ti -","- C88 H184 Cl8 N16 Ti4 -","4","0.5","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0674","0.0468","","","0.1243","0.141","","","","","","1.073","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081448","13.612","0.002","17.153","0.003","22.77","0.004","90","","90","","90","","5316.5","1.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C56 H44 O4 P4 Pt4 -","- C56 H44 O4 P4 Pt4 -","- C224 H176 O16 P16 Pt16 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.0885","0.0535","","","0.1206","0.1355","","","","","","1.053","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081519","10.0532","0.0018","15.1778","0.0018","17.69","0.002","90","","90","","90","","2699.2","0.7","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H42 Fe N6 O -","- C28 H42 Fe N6 O -","- C112 H168 Fe4 N24 O4 -","4","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.168","0.0649","","","0.0963","0.1242","","","","","","0.843","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4082068","21.6378","0.0019","15.2112","0.0008","7.9432","0.0005","90","","90","","90","","2614.4","0.3","123","2","123","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C24 H16 F6 N2 O6 S2 Se2 -","- C24 H16 F6 N2 O6 S2 Se2 -","- C96 H64 F24 N8 O24 S8 Se8 -","4","0.5","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","0.71073","MoKα","","0.135","0.0849","","","0.1566","0.1778","","","","","","1.112","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082332","11.1823","0.0004","12.5944","0.0005","19.9354","0.0007","90","","90","","90","","2807.59","0.18","100","1","100","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H37 F4 Ga N2 -","- C27 H37 F4 Ga N2 -","- C108 H148 F16 Ga4 N8 -","4","0.5","","Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent","Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)","Organometallics","2014","33","2","594","","10.1021/om4012054","","x-ray","0.71073","MoKα","","0.0686","0.0461","","","0.1169","0.1265","","","","","","1.052","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082404","19.0947","0.0001","33.5176","0.0002","12.3937","0.0001","90","","90","","90","","7932.07","0.09","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C5Me5Ti{PhC(NiPr)2}{NC(ArF)N(OtBu)}(CNtBu)","","- C39 H52 F5 N5 O Ti -","- C39 H52 F5 N5 O Ti -","- C312 H416 F40 N40 O8 Ti8 -","8","1","","Groom, Laura R.; Russell, Adam F.; Schwarz, Andrew D.; Mountford, Philip","Reactions of a Cyclopentadienyl‒Amidinate Titanium Benzimidamido Complex","Organometallics","2014","33","4","1002","","10.1021/om4011752","","","0.71073","MoKα","","0.0809","0.0479","","0.0687","0.044","0.0404","","","","","","1.1365","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083501","21.38","0.02","29.82","0.03","32.3","0.03","90","","90","","90","","20593","3","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73.5 H86 Cl4 F12 Ir4 N4 O22.5 S4 -","- C73.5 H79 Cl4 F12 Ir4 N4 O22.5 S4 -","- C588 H632 Cl32 F96 Ir32 N32 O180 S32 -","8","1","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin","Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†","Organometallics","2008","27","16","4088","","10.1021/om800426e","","","0.71073","MoKα","","0.1324","0.0651","","","0.1303","0.1497","","","","","","0.888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083679","16.007","0.005","32.816","0.009","10.753","0.003","90","","90","","90","","5648","3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H41 N4 Yb -","- C30 H41 N4 Yb -","- C240 H328 N32 Yb8 -","8","1","","Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng","Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes","Organometallics","2007","26","8","1934","","10.1021/om061094+","","","0.71073","MoKα","","0.0495","0.0311","","","0.071","0.0768","","","","","","1.098","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083820","32.95","0.007","10.67","0.002","16.74","0.004","90","","90","","90","","5885","2","173.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H43 I N4 O2 P2 Pd -","- C22 H43 I N4 O2 P2 Pd -","- C176 H344 I8 N32 O16 P16 Pd8 -","8","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.042","","","","0.081","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084498","13.6276","0.0004","17.5356","0.0007","25.4348","0.0008","90","","90","","90","","6078.1","0.4","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C71.5 H84 S2 Si -","- C71.5 H84 S2 Si -","- C286 H336 S8 Si4 -","4","0.5","","Lips, Felicitas; Mansikkamäki, Akseli; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Alkenes and Alkynes with an Acyclic Silylene and Heavier Tetrylenes under Ambient Conditions","Organometallics","2014","33","21","6253","","10.1021/om500947x","","","1.54178","CuKα","","0.0579","0.0495","","","0.1268","0.1319","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084499","13.7162","0.0003","17.6261","0.0004","25.3138","0.0006","90","","90","","90","","6119.9","0.2","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C37 H42 S Si0.5 -","- C37 H42 S Si0.5 -","- C296 H336 S8 Si4 -","8","1","","Lips, Felicitas; Mansikkamäki, Akseli; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Alkenes and Alkynes with an Acyclic Silylene and Heavier Tetrylenes under Ambient Conditions","Organometallics","2014","33","21","6253","","10.1021/om500947x","","","1.54178","CuKα","","0.0359","0.0315","","","0.0881","0.0955","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084617","16.467","0.0011","17.815","0.0011","18.3959","0.0015","90","","90","","90","","5396.6","0.7","150","1","150","1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C46 H74 Cl2 N6 O Si4 Sn -","- C46 H74 Cl2 N6 O Si4 Sn -","- C184 H296 Cl8 N24 O4 Si16 Sn4 -","4","0.5","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0895","0.0449","","","0.072","0.0893","","","","","","1.135","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4085781","21.1209","0.001","22.0936","0.001","10.0306","0.0005","90","","90","","90","","4680.6","0.4","170","2","170","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H30 F6 Ir N4 P -","- C22 H30 F6 Ir N4 P -","- C176 H240 F48 Ir8 N32 P8 -","8","1","","Raible, Benjamin; Gierz, Verena; Kunz, Doris","Identifying and Rationalizing the Conditions for the Isomerization of 1,5-Cyclooctadiene in Iridium Complexes by Experimental and Theoretical Mechanistic Studies","Organometallics","2015","34","10","2018","","10.1021/acs.organomet.5b00267","","","0.71073","MoKα","","0.0707","0.0567","","","0.1247","0.1292","","","","","","1.141","","","","has coordinates,has disorder","140181","2020-10-21","18:00:00",""
"4086134","25.5829","0.0007","28.0608","0.0009","12.9824","0.0004","90","","90","","90","","9319.8","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C48 H37 Br Cl N4 Rh -","- C48 H36 Br Cl N4 Rh -","- C384 H288 Br8 Cl8 N32 Rh8 -","8","1","","Yang, Wu; Zuo, Huiping; Lai, Wai Yan; Feng, Shiyu; Pang, Yat Sing; Hung, Kai En; Yu, Chu Yi; Lau, Yin Fan; Tsoi, Ho Yin; Chan, Kin Shing","Facile Aerobic Alkylation of Rhodium Porphyrins with Alkyl Halides","Organometallics","2015","34","16","4051","","10.1021/acs.organomet.5b00488","","","0.71073","MoKα","","0.1568","0.1286","","","0.3286","0.3438","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086853","10.965","0.0004","12.6078","0.0003","19.5211","0.0006","90","","90","","90","","2698.69","0.14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H41 Ag N2 -","- C28 H41 Ag N2 -","- C112 H164 Ag4 N8 -","4","0.5","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","x-ray","0.71073","MoKα","","0.0629","0.0468","","","0.1019","0.1091","","","","","","1.087","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4087132","33.798","0.005","11.1121","0.0015","18.32","0.003","90","","90","","90","","6880.4","1.8","113","","113","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73 H62 Cl2 Fe2 Ni2 O6 P4 S4 -","- C73 H62 Cl2 Fe2 Ni2 O6 P4 S4 -","- C292 H248 Cl8 Fe8 Ni8 O24 P16 S16 -","4","0.5","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.053","0.0462","","","0.0995","0.1024","","","","","","1.161","","","","has coordinates","193340","2020-10-21","18:00:00",""
"4087133","33.928","0.008","11.157","0.003","18.479","0.004","90","","90","","90","","6995","3","113","","113","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73 H62 Cl2 Fe2 Ni2 O6 P4 Se4 -","- C73 H62 Cl2 Fe2 Ni2 O6 P4 Se4 -","- C292 H248 Cl8 Fe8 Ni8 O24 P16 Se16 -","4","0.5","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0419","0.034","","","0.073","0.0761","","","","","","1.017","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087238","16.02","0.007","18.329","0.008","24.614","0.011","90","","90","","90","","7227","6","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C74 H116 N5 Y -","- C74 H116 N5 Y -","- C296 H464 N20 Y4 -","4","0.5","","Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng","Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione","Organometallics","2017","","","","","10.1021/acs.organomet.6b00941","","","0.71073","MoKα","","0.1604","0.0677","","","0.1383","0.1762","","","","","","1.006","","","","has coordinates","195523","2020-10-21","18:00:00",""
"4088311","20.295","0.003","18.186","0.002","19.281","0.003","90","","90","","90","","7116.3","1.7","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","DAC-bispin (5)","","","- C36 H52 B2 N2 O6 -","- C36 H52 B2 N2 O6 -","- C288 H416 B16 N16 O48 -","8","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","1.54187","CuKα","","0.0381","0.0353","","","0.091","0.0928","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088595","17.8501","0.0013","18.1538","0.0013","24.2714","0.0018","90","","90","","90","","7865.1","1","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Li2 N6 O6 Si4 Y2 -","- C66 H104 Cl2 Li2 N6 O6 Si4 Y2 -","- C264 H416 Cl8 Li8 N24 O24 Si16 Y8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1535","0.0573","","","0.1069","0.1379","","","","","","0.973","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088596","17.7886","0.0011","18.151","0.0011","24.4692","0.0015","90","","90","","90","","7900.6","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Li2 N6 O6 Si4 Sm2 -","- C66 H104 Cl2 Li2 N6 O6 Si4 Sm2 -","- C264 H416 Cl8 Li8 N24 O24 Si16 Sm8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.0545","0.034","","","0.0802","0.0867","","","","","","1.061","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088597","17.8179","0.0012","18.1374","0.0012","24.2921","0.0016","90","","90","","90","","7850.5","0.9","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Dy2 Li2 N6 O6 Si4 -","- C66 H104 Cl2 Dy2 Li2 N6 O6 Si4 -","- C264 H416 Cl8 Dy8 Li8 N24 O24 Si16 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.055","0.0323","","","0.0962","0.1169","","","","","","0.979","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088598","17.8404","0.0011","18.1158","0.0011","24.1865","0.0015","90","","90","","90","","7816.9","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Li2 N6 O6 Si4 Yb2 -","- C66 H104 Cl2 Li2 N6 O6 Si4 Yb2 -","- C264 H416 Cl8 Li8 N24 O24 Si16 Yb8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1415","0.0558","","","0.1153","0.1495","","","","","","1.09","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088599","18.1701","0.0009","18.4035","0.0009","23.7815","0.0012","90","","90","","90","","7952.4","0.7","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C272 H432 Cl8 Li8 N24 O24 Si16 Yb8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.0694","0.0345","","","0.0701","0.0848","","","","","","0.998","","","","has coordinates","237694","2020-10-21","18:00:00",""
"4088600","17.9411","0.0011","18.259","0.0011","24.3816","0.0015","90","","90","","90","","7987.1","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C272 H432 Cl8 Li8 N24 O24 Si16 Yb8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1812","0.0697","","","0.1488","0.191","","","","","","0.917","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088933","25.87836","0.00019","23.55001","0.00014","18.77362","0.00012","90","","90","","90","","11441.3","0.13","99.97","0.11","99.97","0.11","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C59.75 H54.3 Cl0.3 I O0.4 P4 Re -","- C59.75 H50 Cl0.3 I O0.4 P4 Re -","- C478 H400 Cl2.4 I8 O3.2 P32 Re8 -","8","1","","Chan, Ka Wing; Bai, Wei; Lee, Kui Fun; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Rhenium Vinylidene and Carbyne Complexes from Reactions of [Re(dppm)3]I with Terminal Alkynes and Alkynols","Organometallics","2016","35","20","3520","","10.1021/acs.organomet.6b00568","","x-ray","1.54184","CuKα","","0.0417","0.0343","","","0.1063","0.1124","","","","","","1.002","","","","has coordinates,has disorder","237892","2020-10-21","18:00:00",""
"4089370","29.265","0.006","32.808","0.007","19.899","0.004","90","","90","","90","","19106","7","100","0.1","100","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","holrc39","","","- C97 H131 B Cl6 F4 N2 -","- C97 H131 B Cl6 F4 N2 -","- C776 H1048 B8 Cl48 F32 N16 -","8","1","","Dible, Benjamin R.; Cowley, Ryan E.; Holland, Patrick L.","Remote Substitution onN-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes","Organometallics","2011","30","19","5123","","10.1021/om200349y","","","0.71073","MoKα","","0.1449","0.0922","","","0.2582","0.3043","","","","","","1.035","","","","has coordinates,has disorder","243620","2020-10-21","18:00:00",""
"4089670","15.1035","0.0015","25.847","0.003","26.584","0.003","90","","90","","90","","10378","2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C115 H138 Cl4 N4 O4 Zr2 -","- C115 H138 Cl4 N4 O4 Zr2 -","- C460 H552 Cl16 N16 O16 Zr8 -","4","0.5","","Radlauer, Madalyn R.; Agapie, Theodor","Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis.","Organometallics","2014","33","13","3247","3250","10.1021/om500608j","","","0.71073","MoKα","","0.1762","0.0839","","","0.1805","0.2182","","","","","","1.098","","","","has coordinates,has disorder","243717","2020-10-21","18:00:00",""
"4100105","34.243","0.007","7.5118","0.0015","6.0908","0.0012","90","","90","","90","","1566.7","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H14 S2 -","- C23.08 H14 S1.87 -","- C92.32 H56 S7.48 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043189d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100272","12.236","0.003","23.692","0.006","10.969","0.003","90","","90","","90","","3179.9","1.3","193","2","193","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C136 H224 O16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100364","11.074","0.002","14.812","0.003","18.825","0.004","90","","90","","90","","3087.8","1.1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na2 -","- C24 H48 N8 Na2 -","- C96 H192 N32 Na8 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100365","10.703","0.002","14.608","0.003","18.606","0.004","90","","90","","90","","2909.1","1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na -","- C24 H48 N8 Na -","- C96 H192 N32 Na4 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100900","22.864","0.0011","20.6713","0.001","9.9936","0.0005","90","","90","","90","","4723.3","0.4","93.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C58 H58 Cl2 N4 -","- C58 H58 Cl2 N4 -","- C232 H232 Cl8 N16 -","4","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of RDM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101369","37.64","0.04","7.498","0.006","14.03","0.01","90","","90","","90","","3960","6","296.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C88 H48 Br16 Fe4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.057","","","","0.095","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101370","37.766","0.006","7.5021","0.0011","14.043","0.002","90","","90","","90","","3978.7","1","293.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C88 H48 Br16 Ga4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.054","","","","0.066","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101902","13.863","0.002","30.022","0.004","6.2454","0.0009","90","","90","","90","","2599.3","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10.5 H16 Cl I N O3 -","- C10.5 H14 Cl I N O3 -","- C84 H112 Cl8 I8 N8 O24 -","8","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.1607","0.0772","","","0.2335","0.2632","","","","","","0.934","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102717","10.9774","0.0004","19.1174","0.0006","27.1633","0.001","90","","90","","90","","5700.5","0.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","2.2MeOH.Et2O","Bis{η^3^-μ~3~-1,3-bis[(2-pyridyl-1κN)methyl]- 1<i>H</i>-imidazol-2-ylidene-2κC}bis(methanol-1κO)dicopper(I) gold(I) 2(<i>Au</i>—<i>Cu</i>) tris(hexafluorophosphate) methanol disolvate (diethyl ether) disolvate","","- C42 H64 Au Cu2 F18 N8 O6 P3 -","- C42 H64 Au Cu2 F18 N8 O6 P3 -","- C168 H256 Au4 Cu8 F72 N32 O24 P12 -","4","0.5","","Christoph E. Strasser; Vincent J. Catalano","""On-Off"" Au(I)...Cu(I) Interactions in a Au(NHC)2 Luminescent Vapochromic Sensor","Journal of the American Chemical Society","2010","132","","10009","10011","10.1021/ja104585q","","","0.71073","MoKα","","0.072","0.0388","","","0.082","0.0964","","","","","","1.03","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4103363","10.7146","0.0013","12.8217","0.0016","19.089","0.002","90","","90","","90","","2622.4","0.5","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H35 I N2 -","- C27 H35 I N2 -","- C108 H140 I4 N8 -","4","0.5","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0357","0.0304","","","0.1042","0.1102","","","","","","1.095","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4104044","11.1616","0.0009","11.9919","0.0009","15.6096","0.001","90","","90","","90","","2089.3","0.3","85","2","85","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H26 Cl2 F2 N2 Pd -","- C19 H26 Cl2 F2 N2 Pd -","- C76 H104 Cl8 F8 N8 Pd4 -","4","0.5","","Nicholas D. Ball; Melanie S. Sanford","Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex","Journal of the American Chemical Society","2009","131","","3796","3797","10.1021/ja8054595","","","0.71073","MoKα","","0.0507","0.0386","","","0.1032","0.1102","","","","","","1.095","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104082","30.36","0.001","12.775","0.0004","13.5826","0.0004","90","","90","","90","","5268","0.3","","","623","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 I3 N6 Zn1.5 -","- C18 I3 N6 Zn1.25 -","- C144 I24 N48 Zn10 -","8","1","","Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita","Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition","Journal of the American Chemical Society","2009","131","","3860","3861","10.1021/ja9005145","powder diffraction","","0.9948","Synchrotron","","","0.0159","","","0.0209","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104683","18.891","0.005","15.567","0.004","16.711","0.005","90","","90","","90","","4914","2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 -","- C26 H37 B N2 -","- C208 H296 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0717","0.0638","","","0.155","0.1633","","","","","","1.067","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104684","19.035","0.009","15.615","0.007","16.723","0.007","90","","90","","90","","4971","4","103.15","","103","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H39 B N2 -","- C26 H39 B N2 -","- C208 H312 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.078","0.069","","","0.1372","0.1411","","","","","","1.276","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104693","18.522","0.004","15.505","0.004","16.871","0.004","90","","90","","90","","4845","2","103.15","","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 O -","- C26 H37 B N2 O -","- C208 H296 B8 N16 O8 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0796","0.0725","","","0.1389","0.142","","","","","","1.287","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104950","14.4934","0.0006","14.5117","0.0005","17.8874","0.0006","90","","90","","90","","3762.1","0.2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","SCOF-2rs.Et 100K","","","- C36 H32 Fe N6 O7 S2 -","- C36 H32 Fe N6 O7 S2 -","- C144 H128 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1209","0.1088","","","0.2166","0.226","","","","","","1.103","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104955","14.3578","0.0006","14.3904","0.0005","17.8813","0.0007","90","","90","","90","","3694.5","0.2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","SCOF-2rs.Me 100K","","","- C33 H32 Fe N6 O7 S2 -","- C33 H32 Fe N6 O7 S2 -","- C132 H128 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.104","0.0631","","","0.172","0.1988","","","","","","1.051","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4105015","17.948","0.005","21.637","0.005","27.944","0.007","90","","90","","90","","10852","5","143.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C70 H162 Fe8 N6 O3 S9 Si10 -","- C70 H122 Fe8 N6 O3 S9 Si10 -","- C280 H488 Fe32 N24 O12 S36 Si40 -","4","0.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0749","","","","0.2267","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105514","19.5674","0.0005","21.3428","0.0005","7.7545","0.0002","90","","90","","90","","3238.46","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C152 H136 N24 O16 -","8","1","","Shainaz M. Landge; Ivan Aprahamian","A pH Activated Configurational Rotary Switch: Controlling the E/Z Isomerization in Hydrazones","Journal of the American Chemical Society","2009","131","","18269","18271","10.1021/ja909149z","","x-ray","0.71073","MoKα","","0.0733","0.0409","","","0.095","0.1125","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105564","18.427","0.004","10.218","0.002","13.047","0.003","90","","90","","90","","2456.6","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H38 Fe2 N2 S2 -","- C22 H38 Fe2 N2 S2 -","- C88 H152 Fe8 N8 S8 -","4","0.5","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0925","0.052","","","0.0992","0.1087","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105672","15.243","0.003","16.582","0.004","19.241","0.004","90","","90","","90","","4863.3","1.8","193","","193","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H72 Cl2 N2 P2 Rh2 -","- C52 H72 Cl2 N2 P2 Rh2 -","- C208 H288 Cl8 N8 P8 Rh8 -","4","0.5","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0616","0.0357","","","0.0824","0.0911","","","","","","1.02","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105778","16.282","0.003","32.499","0.006","9.152","0.0016","90","","90","","90","","4842.8","1.5","149","2","149","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H42 P4 S W -","- C16 H42 P4 S W -","- C128 H336 P32 S8 W8 -","8","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0386","0.0276","","","0.0535","0.0568","","","","","","1.042","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105876","19.3738","0.0008","15.928","0.0006","17.0381","0.0007","90","","90","","90","","5257.7","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C41 H89 Co Ge4 Si4 -","- C41 H89 Co Ge4 Si4 -","- C164 H356 Co4 Ge16 Si16 -","4","0.5","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.71073","MoKα","","0.0326","0.0223","","","0.0511","0.0548","","","","","","1.042","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105906","16.8952","0.0006","31.7271","0.0009","11.7933","0.0003","90","","90","","90","","6321.6","0.3","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H42 N2 Si2 Zr -","- C33 H42 N2 Si2 Zr -","- C264 H336 N16 Si16 Zr8 -","8","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.0484","0.0255","","","0.0506","0.0535","","","","","","0.825","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106001","26.201","0.0011","12.156","0.0006","15.404","0.002","90","","90","","90","","4906.2","0.7","150","0.1","150","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,3-Bis[2,2-di-tert-butyl-1-(di-tert-butylmethylsilyl)- 2-methyldisilanyl]benzene-1',1''-diyl","","- C42 H88 Si6 -","- C42 H88 Si6 -","- C168 H352 Si24 -","4","0.5","","Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi","Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)","Journal of the American Chemical Society","2011","133","","5773","5775","10.1021/ja2014746","","","0.7107","MoKα","","0.1035","0.0621","","","0.1492","0.1685","","","","","","1.034","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106388","13.4976","0.0009","14.9955","0.0011","17.1276","0.0012","90","","90","","90","","3466.7","0.4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H49 F Hf2 N2 -","- C38 H49 F Hf2 N2 -","- C152 H196 F4 Hf8 N8 -","4","0.5","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0279","0.0199","","","0.0467","0.0495","","","","","","1.031","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4107025","59.31","0.005","25.141","0.003","31.05","0.004","90","","90","","90","","46299","9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C386.19 H350.19 Cl6.56 N30 Zn6 -","- C386.188 H350.188 Cl6.564 N30 Zn6 -","- C1544.75 H1400.75 Cl26.256 N120 Zn24 -","4","0.5","","Johannes K. Sprafke; Dmitry V. Kondratuk; Michael Wykes; Amber L. Thompson; Markus Hoffmann; Rokas Drevinskas; Wei-Hsin Chen; Chaw Keong Yong; Joakim Kärnbratt; Joseph E. Bullock; Marc Malfois; Michael R. Wasielewski; Bo Albinsson; Laura M. Herz; Donatas Zigmantas; David Beljonne; Harry L. Anderson","Belt-Shaped π-Systems: Relating Geometry to Electronic Structure in a Six-Porphyrin Nanoring","Journal of the American Chemical Society","2011","133","","17262","17273","10.1021/ja2045919","","","0.6889","Synchrotron","","0.1065","0.1047","","0.2626","0.2611","0.2626","","","","","","0.9235","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107484","13.839","0.002","14.853","0.002","17.604","0.003","90","","90","","90","","3618.5","0.9","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H42 Fe N6 O7 S2 -","- C32 H42 Fe N6 O7 S2 -","- C128 H168 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Peter D. Southon; John D. Cashion; Jean-François Létard; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Single-Crystal to Single-Crystal Structural Transformation and Photomagnetic Properties of a Porous Iron(II) Spin-Crossover Framework","Journal of the American Chemical Society","2008","130","","2869","2876","10.1021/ja077958f","","","0.71073","MoKα","","0.1059","0.0798","","","0.2268","0.2543","","","","","","1.05","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107486","13.875","0.002","15.083","0.002","17.97","0.003","90","","90","","90","","3760.7","1","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H42 Fe N6 O7 S2 -","- C32 H42 Fe N6 O7 S2 -","- C128 H168 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Peter D. Southon; John D. Cashion; Jean-François Létard; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Single-Crystal to Single-Crystal Structural Transformation and Photomagnetic Properties of a Porous Iron(II) Spin-Crossover Framework","Journal of the American Chemical Society","2008","130","","2869","2876","10.1021/ja077958f","","","0.71073","MoKα","","0.0764","0.0624","","","0.2085","0.2301","","","","","","0.998","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107601","9.432","0.003","21.511","0.005","7.7569","0.0019","90","","90","","90","","1573.8","0.7","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C8 H14 O2 -","- C8 H14 O2 -","- C64 H112 O16 -","8","1","","Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox","A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation","Journal of the American Chemical Society","2008","130","","3760","3761","10.1021/ja8001919","","","0.71073","MoKα","","0.0556","0.0453","","","0.1286","0.1403","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107749","13.5456","0.0006","17.1401","0.0008","18.5216","0.0009","90","","90","","90","","4300.2","0.3","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C46 H60 N2 Zr2 -","- C46 H60 N2 Zr2 -","- C184 H240 N8 Zr8 -","4","0.5","","Doris Pun; Emil Lobkovsky; Paul J. Chirik","Indenyl Zirconium Dinitrogen Chemistry: N2 Coordination to an Isolated Zirconium Sandwich and Synthesis of Side-on, End-on Dinitrogen Compounds","Journal of the American Chemical Society","2008","130","","6047","6054","10.1021/ja801021w","","","0.71073","MoKα","","0.0555","0.0391","","","0.0979","0.1038","","","","","","1.098","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107967","9.3505","0.0003","16.1767","0.0006","19.9603","0.0007","90","","90","","90","","3019.2","0.18","140","2","140","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C32 H40 Li2 N6 -","- C32 H40 Li2 N6 -","- C128 H160 Li8 N24 -","4","0.5","","Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu","Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation","Journal of the American Chemical Society","2008","130","","8156","8157","10.1021/ja8025938","","","0.71073","MoKα","","0.0713","0.0476","","","0.1062","0.1251","","","","","","1.128","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108143","20.517","0.003","8.353","0.002","19.928","0.003","90","","90","","90","","3415.2","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H36 Cl9 Cr3 N4 O2 -","- C18 H36 Cl9 Cr3 N4 O2 -","- C72 H144 Cl36 Cr12 N16 O8 -","4","0.5","","Bert Mallick; Harald Kierspel; Anja-Verena Mudring","(CrCl3)3@2[C4mim][OMe]- Molecular Cluster-Type Chromium(III) Chloride Stabilized in a Salt Matrix","Journal of the American Chemical Society","2008","130","","10068","10069","10.1021/ja803322k","","","0.71073","MoKα","","0.1384","0.045","","","0.0849","0.1045","","","","","","0.693","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108262","21.8217","0.0009","7.252","0.0003","8.7815","0.0004","90","","90","","90","","1389.68","0.1","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H7.5 O12.5 S2 Sb4 -","- C2 H6 O12.5 S2 Sb4 -","- C8 H24 O50 S8 Sb16 -","4","0.5","","Claudia H. Swanson; Harris A. Shaikh; David L. Rogow; Allen G. Oliver; Charles F. Campana; Scott R. J. Oliver","Antimony Oxide Hydroxide Ethanedisulfonate: a Cationic Layered Metal Oxide for Lewis Acid Applications","Journal of the American Chemical Society","2008","130","","11737","11741","10.1021/ja802420h","","","0.71073","MoKα","","0.0188","0.0166","","","0.0403","0.0407","","","","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108515","11.2158","0.0006","14.6014","0.0008","34.1994","0.0018","90","","90","","90","","5600.7","0.5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C48 H58 Cu4 I4 N2 O8 S2 -","- C48 H58 Cu4 I4 N2 O8 S2 -","- C192 H232 Cu16 I16 N8 O32 S8 -","4","0.5","","Jai Young Lee; Hyun Jee Kim; Jong Hwa Jung; Wonbo Sim; Shim Sung Lee","Networking of Calixcrowns: From Heteronuclear Endo/Exocyclic Coordination Polymers to A Photoluminescence Switch","Journal of the American Chemical Society","2008","130","","13838","13839","10.1021/ja805337n","","","0.71073","MoKα","","0.0588","0.0375","","","0.0858","0.1005","","","","","","1.075","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108551","20.65","0.003","11.8192","0.0019","15.995","0.003","90","","90","","90","","3903.8","1.1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexa-(4-Cyanophenyloxy)benzene","Hexa-(4-Cyanophenyloxy)benzene","","- C48 H24 N6 O6 -","- C48 H24 N6 O6 -","- C192 H96 N24 O24 -","4","0.5","","Dinabandhu Das; Leonard J. Barbour","Polymorphism of a Hexa-host: Isolation of Four Different Single-Crystal Phases by Melt Crystallization","Journal of the American Chemical Society","2008","130","","14032","14033","10.1021/ja804940v","","","0.71073","MoKα","","0.1038","0.0581","","","0.1199","0.1401","","","","","","1.023","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108724","18.891","0.005","15.567","0.004","16.711","0.005","90","","90","","90","","4914","2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 -","- C26 H37 B N2 -","- C208 H296 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0717","0.0638","","","0.155","0.1633","","","","","","1.067","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108733","18.522","0.004","15.505","0.004","16.871","0.004","90","","90","","90","","4845","2","103.15","","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 O -","- C26 H37 B N2 O -","- C208 H296 B8 N16 O8 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0796","0.0725","","","0.1389","0.142","","","","","","1.287","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4109230","17.87","0.02","25.24","0.05","10.08","0.02","90","","90","","90","","4546","14","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dibutyl-N-propyl-PHTZ","2,7-Di-tert-butyl-N-isopropyl-phenothiazine","","- C23 H31 N S -","- C23 H31 N S -","- C184 H248 N8 S8 -","8","1","","Sergiy V. Rosokha; Jay K. Kochi","Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges","Journal of the American Chemical Society","2007","129","","3683","3697","10.1021/ja069149m","","","0.71073","MoKα","","0.1521","0.069","","","0.2121","0.2404","","","","","","0.947","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109326","16.066","0.003","16.393","0.003","26.997","0.005","90","","90","","90","","7110","2","141","2","141","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H36 F10 N2 Th -","- C36 H36 F10 N2 Th -","- C288 H288 F80 N16 Th8 -","8","1","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0583","0.0249","","","0.0518","0.0594","","","","","","1.006","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109551","24.9145","0.0014","13.3642","0.0008","18.6362","0.001","90","","90","","90","","6205.2","0.6","180","2","180","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H80 B2 N2 O1.5 Pt -","- C58 H60 B2 N2 Pt -","- C232 H240 B8 N8 Pt4 -","4","0.5","","Yi Sun; Nicole Ross; Shu-Bin Zhao; Krista Huszarik; Wen-Li Jia; Rui-Yao Wang; Donal Macartney; Suning Wang","Enhancing Electron Accepting Ability of Triarylboron via π-Conjugation with 2,2'-Bipy and Metal Chelation: 5,5'-Bis(BMes2)-2,2'-bipy and Its Metal Complexes","Journal of the American Chemical Society","2007","129","","7510","7511","10.1021/ja0725652","","","0.71073","MoKα","","0.0371","0.0241","","","0.0703","0.0738","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109564","6.5456","0.0006","9.2558","0.0008","27.04","0.002","90","","90","","90","","1638.2","0.2","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C5 H3 N4 S4 -","- C5 H3 N4 S4 -","- C40 H24 N32 S32 -","8","1","","Alicea A. Leitch; Robert W. Reed; Craig M. Robertson; James F. Britten; Xueyang Yu; Richard A. Secco; Richard T. Oakley","An Alternating π-Stacked Bisdithiazolyl Radical Conductor","Journal of the American Chemical Society","2007","129","","7903","7914","10.1021/ja071218p","","","1.54178","CuKα","","0.0625","0.057","","","0.1617","0.1654","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109860","20.5438","0.0008","15.7065","0.0006","16.3757","0.0006","90","","90","","90","","5284","0.3","90","2","90","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","Compound 9","","","- C60 H76 Cd2 -","- C60 H76 Cd2 -","- C240 H304 Cd8 -","4","0.5","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0766","0.0487","","","0.1176","0.1437","","","","","","1.052","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4110418","20.058","0.004","16.095","0.003","16.266","0.003","90","","90","","90","","5251.2","1.7","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C21 H19 Co F9 N4 O2 P1.5 -","- C21 H19 Co F9 N4 O2 P1.5 -","- C168 H152 Co8 F72 N32 O16 P12 -","8","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1337","0.0696","","","0.1756","0.1965","","","","","","0.856","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111222","12.073","0.004","13.341","0.004","23.989","0.003","90","","90","","90","","3863.8","1.8","140","2","140","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C47 H36 Br2 O4 -","- C47 H36 Br2 O4 -","- C188 H144 Br8 O16 -","4","0.5","","Manfred Schlosser; Frédéric Bailly","Embedding an Allylmetal Dimer in a Chiral Cavity: The Unprecedented Stereoselectivity of a Twofold Wittig [1,2]-Rearrangement","Journal of the American Chemical Society","2006","128","","16042","16043","10.1021/ja066462f","","","0.7107","MoKα","","0.0697","0.0482","","","0.1196","0.1322","","","","","","1.144","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111567","20.648","0.005","15.547","0.004","16.395","0.005","90","","90","","90","","5263","2","90","2","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","(Dipp*Tl)2","","","- C60 H74 Tl2 -","- C60 H74 Tl2 -","- C240 H296 Tl8 -","4","0.5","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","","","","0.0599","0.0492","","","0.1105","0.1178","","","","","","1.051","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111860","17.9934","0.0016","29.79","0.003","13.4276","0.0012","90","","90","","90","","7197.5","1.2","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","TIPS-T7-TIPS","","","- C34 H44 S7 Si2 -","- C34 H44 S7 Si2 -","- C272 H352 S56 Si16 -","8","1","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0529","0.0366","","","0.0823","0.0953","","","","","","1.01","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4112189","13.2757","0.001","16.0434","0.0012","11.8224","0.0009","90","","90","","90","","2518","0.3","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Cl2 P2 -","- C20 H46 B2 Cl2 P2 -","- C80 H184 B8 Cl8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0355","0.034","","","0.0882","0.0899","","","","","","1.061","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112193","13.4955","0.0007","15.8447","0.0009","11.8988","0.0006","90","","90","","90","","2544.3","0.2","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Br2 P2 -","- C20 H46 B2 Br2 P2 -","- C80 H184 B8 Br8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0466","0.0393","","","0.118","0.1226","","","","","","1.105","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112327","20.5414","0.0009","21.3611","0.0009","18.455","0.0008","90","","90","","90","","8097.8","0.6","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H34 O14.5 P Pt Ru5 -","- C29 H34 O14.5 P Pt Ru5 -","- C232 H272 O116 P8 Pt8 Ru40 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0339","0.0241","","","0.0556","0.0611","","","","","","1.067","","","","has coordinates","180567","2020-10-21","18:00:00",""
"4112575","20.079","0.002","21.373","0.002","10.5266","0.0011","90","","90","","90","","4517.5","0.8","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Fe(OEPO)(2,6-dimethyl phenylisocyanide)2","","","- C54 H59 Fe N6 O -","- C54 H59 Fe N6 O -","- C216 H236 Fe4 N24 O4 -","4","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","0.71073","MoKα","","0.0472","0.0359","","","0.0883","0.0922","","","","","","1.073","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112599","13.2654","0.0002","18.726","0.0003","19.6692","0.0004","90","","90","","90","","4885.98","0.15","173","","173","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C51 H35 F6 N7 O8 S2 Zn -","- C51 H35 F6 N7 O8 S2 Zn -","- C204 H140 F24 N28 O32 S8 Zn4 -","4","0.5","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.095","0.033","","0.516","","0.056","","","1.251","","","1.046","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112683","12.308","0.003","13.948","0.003","32.345","0.007","90","","90","","90","","5553","2","301","2","301","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C57 H46 Cl2 N6 O8 P2 Pt2 S2 -","- C57 H28 Cl2 N6 O8 P2 Pt2 S2 -","- C228 H112 Cl8 N24 O32 P8 Pt8 S8 -","4","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0862","0.053","","","0.1545","0.1684","","","","","","1.07","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112972","9.695","0.001","26.7","0.003","8.864","0.001","90","","90","","90","","2294.5","0.4","173","","173","","","","","","","","?","6","P c c n","-P 2ab 2ac","56","","","","- C10 H12 Fe O4 P Zn0.5 -","- C10 H12 Fe O4 P Zn0.5 -","- C80 H96 Fe8 O32 P8 Zn4 -","8","1","","Olivier Oms; Jean Le Bideau; Fabrice Leroux; Arie van der Lee; Dominique Leclercq; André Vioux","Mixed 1D-2D Inorganic Polymeric Zinc Ferrocenylphosphonate: Crystal Structure and Electrochemical Study","Journal of the American Chemical Society","2004","126","","12090","12096","10.1021/ja049457p","","","0.71073","MoKα","","0.1969","0.0385","","0.0625","0.0419","0.0419","","","","","","1.1356","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113235","21.247","0.003","18.09","0.002","20.065","0.002","90","","90","","90","","7712.1","1.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Au2(PAnP)(NO3)2+0.5Et2O","","","- C40 H33 Au2 N2 O6.5 P2 -","- C40 H33 Au2 N2 O6.5 P2 -","- C320 H264 Au16 N16 O52 P16 -","8","1","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.0753","0.053","","","0.1215","0.1323","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113480","14.7106","0.0008","10.4709","0.0004","11.954","0.0006","90","","90","","90","","1841.31","0.15","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 Au Cl10 Tl -","- C12 Au Cl10 Tl -","- C48 Au4 Cl40 Tl4 -","4","0.5","","Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Javier Pérez; Antonio Laguna; Ahmed A. Mohamed; John P. Fackler","{Tl[Au(C6Cl5)2]}n: A Vapochromic Complex","Journal of the American Chemical Society","2003","125","","2022","2023","10.1021/ja028734u","","","0.7107","MoKα","","0.0494","0.0282","","","0.057","0.0623","","","","","","1.055","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4114034","18.7073","0.0008","16.8765","0.0007","18.0139","0.0007","90","","90","","90","","5687.2","0.4","183","2","183","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(mu-P2)[Mo(N[i-Pr]Ar)(O-2,6-Me2C6H3)2]2","","","- C59 H75 Mo2 N2 O4 P2 -","- C59 H75 Mo2 N2 O4 P2 -","- C236 H300 Mo8 N8 O16 P8 -","4","0.5","","Frances H. Stephens; Joshua S. Figueroa; Paula L. Diaconescu; Christopher C. Cummins","Molybdenum-Phosphorus Triple Bond Stabilization by Ancillary Alkoxide Ligation: Synthesis and Structure of a Terminal Phosphide Tris-1-methylcyclohexanoxide Complex","Journal of the American Chemical Society","2003","125","","9264","9265","10.1021/ja0354317","","","0.71073","MoKα","","0.0536","0.04","","","0.0895","0.0955","","","","","","1.046","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114434","17.001","0.004","23.958","0.005","7.6869","0.0016","90","","90","","90","","3131","1.2","193","2","193","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H22 O2 S -","- C18 H22 O2 S -","- C144 H176 O16 S8 -","8","1","","Fredrik P. Marmsäter; Graham K. Murphy; F. G. West","Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides","Journal of the American Chemical Society","2003","125","","14724","14725","10.1021/ja0387249","","","0.71073","MoKα","","0.1321","0.0727","","","0.1433","0.1674","","","","","","1.056","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114968","20.648","0.004","15.622","0.002","16.294","0.003","90","","90","","90","","5255.8","1.6","91","2","91","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","(Dipp*In)2","","","- C60 H74 In2 -","- C120 H148 In4 -","- C240 H296 In8 -","2","0.25","","Robert J. Wright; Andrew D. Phillips; Ned J. Hardman; Philip P. Power","The ""Diindene"" ArInInAr (Ar = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-Pri2). Dimeric versus Monomeric In(I) Aryls: para-Substituent Effects in Terphenyl Ligands","Journal of the American Chemical Society","2002","124","","8538","8539","10.1021/ja026285s","","","0.71073","MoKα","","0.0619","0.0463","","","0.1172","0.1251","","","","","","1.494","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4115326","15.8105","0.0019","31.466","0.004","10.2786","0.0012","90","","90","","90","","5113.5","1.1","243","2","243","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H41 Mo N P4 -","- C17 H41 Mo N P4 -","- C136 H328 Mo8 N8 P32 -","8","1","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.071","0.0415","","","0.1329","0.1529","","","","","","1.004","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115342","14.67","0.01","7.774","0.005","12.4","0.01","90","","90","","90","","1414.2","1.7","","","20","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Mn N8 Ni O8 -","- C4 H16 Mn N8 Ni O8 -","- C16 H64 Mn4 N32 Ni4 O32 -","4","0.5","","Béatrice Gillon; Corine Mathonière; Eliseo Ruiz; Santiago Alvarez; Alain Cousson; Thekkel M. Rajendiran; Olivier Kahn","Spin Densities in a Ferromagnetic Bimetallic Chain Compound: Polarized Neutron Diffraction and DFT Calculations","Journal of the American Chemical Society","2002","124","","14433","14441","10.1021/ja020188h","","neutron","0.8308","Neutron","","","0.055651","","","0.042638","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115462","27.8463","0.0014","36.2391","0.0016","18.928","0.001","90","","90","","90","","19100.7","1.6","200","3","200","3","","","","","","","crystal provided by K. Severin","7","P c c n","-P 2ab 2ac","56","Ru-C5H3NO2-C10H14-NaCl","","","- C48 H54 Cl N3 Na O6 Ru3 -","- C48 H54 Cl N3 Na O6 Ru3 -","- C768 H864 Cl16 N48 Na16 O96 Ru48 -","16","2","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0518","0.0395","","","0.1078","0.1128","","","","","","0.994","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4116094","11.05","0.003","11.414","0.003","14.79","0.004","90","","90","","90","","1865.4","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C7 H10 Ag0.5 Cl0.5 N3 O2 -","- C7 H10 Ag0.5 Cl0.5 N3 O2 -","- C56 H80 Ag4 Cl4 N24 O16 -","8","1","","Kil Sik Min; Myunghyun Paik Suh","Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State","Journal of the American Chemical Society","2000","122","","6834","6840","10.1021/ja000642m","","","0.71069","MoKα","","0.0611","0.0545","","","0.1455","0.1506","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116135","18.7297","0.0006","37.2711","0.0001","7.3366","0.0003","90","","90","","90","","5121.5","0.3","213","2","213","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(2R,4aS,12aR)-8-Allyloxy-2-(dimethyl-phenyl-silanyl)-4a-methyl-2,3,5,6,12,12a- hexahydro-1H,4aH-chrysene-4,11-dione","","- C30 H34 O3 Si -","- C30 H34 O3 Si -","- C240 H272 O24 Si8 -","8","1","","Brian M. Stoltz; Taichi Kano; E. J. Corey","Enantioselective Total Synthesis of Nicandrenones","Journal of the American Chemical Society","2000","122","","9044","9045","10.1021/ja0024892","","","0.71073","MoKα","","0.1119","0.0609","","","0.1465","0.1779","","","","","","1.044","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116632","17.7301","0.0002","10.9129","0.0001","15.7799","0.0001","90","","90","","90","","3053.2","0.05","162","2","162","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H50 B2 F8 Ni O P4 -","- C20 H50 B2 F8 Ni O P4 -","- C80 H200 B8 F32 Ni4 O4 P16 -","4","0.5","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0438","0.0316","","","0.0671","0.0731","","","","","","0.914","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116682","23.99","0.006","9.044","0.003","15.871","0.004","90","","90","","90","","3443.5","1.7","293","2","200","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H18 Al Cl N2 O5 W -","- C12 H18 Al Cl N2 O5 W -","- C96 H144 Al8 Cl8 N16 O40 W8 -","8","1","","Roland A. Fischer; Markus M. Schulte; Jurij Weiss; Laszlo Zsolnai; Albrecht Jacobi; Gottfried Huttner; Gernot Frenking; Christian Boehme; Sergei F. Vyboishchikov","Transition Metal Coordinated Al(X)L2 and Ga(X)L2 Fragments","Journal of the American Chemical Society","1998","120","","1237","1248","10.1021/ja9716463","","","0.71073","MoKα","","0.0911","0.0442","","0.0877","0.0739","","","","1.02","1.082","1.082","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116829","4.165","0.001","6.654","0.001","21.293","0.004","90","","90","","90","","590.1","0.2","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H4 N4 O2 -","- C4 H4 N4 O2 -","- C16 H16 N16 O8 -","4","0.5","","Christer B. Aakeröy; Mark Nieuwenhuyzen; Sarah L. Price","Three Polymorphs of 2-Amino-5-nitropyrimidine: Experimental Structures and Theoretical Predictions","Journal of the American Chemical Society","1998","120","","8986","8993","10.1021/ja981122i","","","0.71073","MoKα","","0.0373","0.0314","","0.0917","0.0868","","","","1.097","1.12","1.12","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4117246","17.6359","0.0011","17.6227","0.0013","7.9994","0.0005","90","","90","","90","","2486.2","0.3","100","2","100","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C18 H14 -","- C18 H14 -","- C144 H112 -","8","1","","Longwu Ye; Yanzhao Wang; Donald H. Aue; Liming Zhang","Experimental and Computational Evidence for Gold Vinylidenes: Generation from Terminal Alkynes via a Bifurcation Pathway and Facile C-H Insertions","Journal of the American Chemical Society","2012","134","","31","34","10.1021/ja2091992","","","0.71073","MoKα","","0.0636","0.053","","","0.1338","0.1425","","","","","","1.05","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4118063","14.5626","0.0011","23.1936","0.0018","36.78","0.003","90","","90","","90","","12422.8","1.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","apx1346","","","- C54 H63 Br Cl I3 N6 U -","- C54 H63 Br Cl I3 N6 U -","- C432 H504 Br8 Cl8 I24 N48 U8 -","8","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.111","0.0673","","","0.1623","0.1744","","","","","","1.383","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118492","23.75","0.004","49.017","0.008","13.018","0.002","90","","90","","90","","15155","4","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Me2CB7*DAA*I2.nH2O","Me2CB7*DAA*I2.nH2O","","- C52 H80 I2 N30 O25 -","- C51.992 H59.986 I0.5 N29.998 O15 -","- C415.936 H479.888 I4 N239.984 O120 -","8","1","","Brittany Vinciguerra; Liping Cao; Joe R. Cannon; Peter Y. Zavalij; Catherine Fenselau; Lyle Isaacs","Synthesis and Self-Assembly Processes of Monofunctionalized Cucurbit[7]uril","Journal of the American Chemical Society","2012","134","","13133","13140","10.1021/ja3058502","","","0.71073","MoKα","","0.089","0.0762","","","0.1708","0.1767","","","","","","1","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118695","10.9576","0.001","17.286","0.0015","28.76","0.002","90","","90","","90","","5447.5","0.8","90","","90","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Lu3N@C80-SiDep2","","","- C101 H26 Lu3 N S2 Si -","- C101 H26 Lu2.52 N S2 Si -","- C404 H104 Lu10.08 N4 S8 Si4 -","4","0.5","","Kumiko Sato; Masahiro Kako; Mitsuaki Suzuki; Naomi Mizorogi; Takahiro Tsuchiya; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka; Shigeru Nagase","Synthesis of Silylene-Bridged Endohedral Metallofullerene Lu3N@Ih-C80","Journal of the American Chemical Society","2012","134","","16033","16039","10.1021/ja3073929","","","0.71073","MoKα","","0.1221","0.1043","","","0.2339","0.2416","","","","","","1.278","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4119328","23.151","0.004","23.779","0.004","13.745","0.002","90","","90","","90","","7567","2","164","2","164","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C35 H38 Br2 N6 S4 -","- C35 H4 Br2 N6 S4 -","- C280 H32 Br16 N48 S32 -","8","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.71073","MoKα","","0.3091","0.1393","","","0.2487","0.2956","","","","","","1.337","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4120235","30.971","0.003","12.8472","0.0006","13.087","0.001","90","","90","","90","","5207.2","0.7","","","300","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 I6 N12 S6 Zn3 -","- C72 I10 N24 S6 Zn5 -","- C144 I20 N48 S12 Zn10 -","2","0.25","","Hiroyoshi Ohtsu; Wanuk Choi; Nazrul Islam; Yoshitaka Matsushita; Masaki Kawano","Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation","Journal of the American Chemical Society","2013","135","","11449","11452","10.1021/ja4046718","powder diffraction","","1.5494","synchrotron","","","0.0434","","","0.0592","","","","","","","","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120421","17.083","0.002","18.098","0.003","7.4267","0.0011","90","","90","","90","","2296.1","0.6","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C96 H96 B8 N8 O16 -","8","1","","Eric R. Abbey; Ashley N. Lamm; Andrew W. Baggett; Lev N. Zakharov; Shih-Yuan Liu","Protecting Group-Free Synthesis of 1,2-Azaborines: A Simple Approach to the Construction of BN-Benzenoids","Journal of the American Chemical Society","2013","135","","12908","12913","10.1021/ja4073436","","","0.71073","MoKα","","0.0736","0.0431","","","0.0867","0.1016","","","","","","1.053","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120944","13.3749","0.0009","13.3774","0.0009","18.2349","0.0012","90","","90","","90","","3262.6","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H52 K N2 Ni Si2 -","- C30 H52 K N2 Ni Si2 -","- C120 H208 K4 N8 Ni4 Si8 -","4","0.5","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0391","0.0284","","","0.0619","0.0676","","","","","","1.03","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121206","29.0878","0.0006","10.0431","0.0002","26.8906","0.0005","90","","90","","90","","7855.6","0.3","100","2","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C68 H76 Cl4 N6 O8 -","- C68 H76 Cl4 N6 O8 -","- C272 H304 Cl16 N24 O32 -","4","0.5","","Sergio Grunder; Psaras L. McGrier; Adam C. Whalley; Megan M. Boyle; Charlotte Stern; J. Fraser Stoddart","A Water-Soluble pH-Triggered Molecular Switch","Journal of the American Chemical Society","2013","135","","17691","17694","10.1021/ja409006y","","","1.54184","CuKα","","0.1709","0.1293","","","0.3903","0.419","","","","","","1.59","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121359","30.152","0.009","30.764","0.009","44.449","0.013","90","","90","","90","","41231","2","93","","93","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C1648 H1024 N192 O232 S64 Zn48 -","- C1648 H912 N192 O232 S64 Zn48 -","- C1648 H912 N192 O232 S64 Zn48 -","1","0.125","","Takashi Nakamura; Hitoshi Ube; Ryosuke Miyake; Mitsuhiko Shionoya","A C60-Templated Tetrameric Porphyrin Barrel Complex via Zinc-Mediated Self-Assembly Utilizing Labile Capping Ligands","Journal of the American Chemical Society","2013","135","","18790","18793","10.1021/ja4110446","","","0.71073","MoKα","","0.2513","0.1887","","","0.4575","0.4982","","","","","","1.767","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121789","10.3696","0.0006","15.7167","0.0007","23.6257","0.0011","90","","90","","90","","3850.4","0.3","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H26 Br2 F6 N2 Ni -","- C46 H26 Br2 F6 N2 Ni -","- C184 H104 Br8 F24 N8 Ni4 -","4","0.5","","Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.","Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline ""Polyethylene"" from α-Olefins by Combining Two Rare Catalytic Events.","Journal of the American Chemical Society","2014","136","20","7213","7216","10.1021/ja502130w","","","0.71073","MoKα","","0.0795","0.0625","","","0.1704","0.1835","","","","","","1.073","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121813","14.429","0.003","28.69","0.006","8.52","0.0017","90","","90","","90","","3527","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H52 N4 O10 -","- C36 H52 N4 O10 -","- C144 H208 N16 O40 -","4","0.5","","Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall","Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.","Journal of the American Chemical Society","2014","136","20","7505","7516","10.1021/ja503383e","","","0.71085","Synchrotron","","0.0551","0.0519","","","0.1323","0.1354","","","","","","1.064","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4122154","30.401","0.002","34.672","0.002","21.1517","0.0014","90","","90","","90","","22295","2","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C98 H72 F12 Fe2 N26 O12 S4 -","- C97 H72 F9 Fe2 N26 O9 S3 -","- C776 H576 F72 Fe16 N208 O72 S24 -","8","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.6889","synchrotron","","0.1337","0.1185","","","0.3238","0.3397","","","","","","1.051","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122792","26.9772","0.0018","25.2813","0.0005","16.7103","0.0003","90","","90","","90","","11396.7","0.8","200","","200","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[{[(t-BuC6H4)3CCONH](n-BuCONH)C6H4COO}2Zn(H2O)4]-6(dioxane)","","- C112 H162 N4 O24 Zn -","- C112 H162 N4 O24 Zn -","- C448 H648 N16 O96 Zn4 -","4","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.0836","0.0599","","","0.1473","0.1614","","","","","","1.018","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4123342","7.598","0.002","23.625","0.006","7.587","0.002","90","","90","","90","","1361.9","0.6","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0336","0.026","","","0.0614","0.0657","","","","","","1.045","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123343","7.5603","0.0015","23.571","0.005","7.5396","0.0015","90","","90","","90","","1343.6","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0275","0.0243","","","0.0601","0.065","","","","","","0.671","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123344","23.671","0.008","7.611","0.002","7.649","0.002","90","","90","","90","","1378","0.7","350","2","350","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0413","0.0308","","","0.0734","0.0919","","","","","","0.484","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123345","23.65","0.007","7.604","0.002","7.623","0.002","90","","90","","90","","1370.9","0.7","300","2","300","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0405","0.0302","","","0.0723","0.0793","","","","","","1.046","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123529","31.5198","0.0008","26.9873","0.0007","18.5832","0.0005","90","","90","","90","","15807.5","0.7","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24 Cd S18 -","- C576 H648 Au96 Cd4 S72 -","4","0.5","","Wang, Shuxin; Song, Yongbo; Jin, Shan; Liu, Xia; Zhang, Jun; Pei, Yong; Meng, Xiangming; Chen, Man; Li, Peng; Zhu, Manzhou","Metal exchange method using au25 nanoclusters as templates for alloy nanoclusters with atomic precision.","Journal of the American Chemical Society","2015","137","12","4018","4021","10.1021/ja511635g","","","1.54178","CuKα","","0.0407","0.0383","","","0.0993","0.1016","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4124196","31.5657","0.0003","27.3633","0.0004","18.7149","0.0002","90","","90","","90","","16164.8","0.3","292","2","292","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Liao, Lingwen; Zhou, Shiming; Dai, Yafei; Liu, Liren; Yao, Chuanhao; Fu, Cenfeng; Yang, Jinlong; Wu, Zhikun","Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.","Journal of the American Chemical Society","2015","137","30","9511","9514","10.1021/jacs.5b03483","","","1.54184","CuKα","","0.151","0.1409","","","0.3305","0.3429","","","","","","1.351","","","","has coordinates","154623","2020-10-21","18:00:00",""
"4124831","21.236","0.004","24.857","0.005","7.6161","0.0014","90","","90","","90","","4020.3","1.3","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","5,14-di(t-butyldimethylsilylethynyl)dibenzo[a,m]rubicene","","- C50 H46 Si2 -","- C50 H46 Si2 -","- C200 H184 Si8 -","4","0.5","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.171","0.0572","","","0.1168","0.1704","","","","","","1.027","","","","has coordinates","173465","2020-10-21","18:00:00",""
"4125666","26.455","0.003","25.742","0.003","13.1609","0.0015","90","","90","","90","","8962.6","1.8","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","CB8 Diadamantane 2,6-diammonium","CB8 Diadamantane 2,6-diammonium iodide chloride hydrate","","- C62 H111 Cl0.5 I1.5 N34 O35.5 -","- C62 H72 Cl0.5 I1.5 N34 O21.64 -","- C248 H288 Cl2 I6 N136 O86.56 -","4","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0656","0.0598","","","0.127","0.1295","","","","","","1.021","","","","has coordinates,has disorder","193063","2020-10-21","18:00:00",""
"4125920","27.255","0.009","11.819","0.004","9.148","0.003","90","","90","","90","","2946.8","1.7","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24.61 H26 Cu2 N2 O11.23 -","- C24.6147 H26 Cu2 N2 O11.2294 -","- C98.4588 H104 Cu8 N8 O44.9176 -","4","0.5","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0609","0.0385","","","0.0895","0.0995","","","","","","1.044","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125921","12.9025","0.0011","27.615","0.002","8.5728","0.0007","90","","90","","90","","3054.5","0.4","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14.5 H19 Cu N O5 -","- C14.5 H19 Cu N O5 -","- C116 H152 Cu8 N8 O40 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0254","0.0228","","","0.057","0.0583","","","","","","1.05","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4126145","14.408","0.003","15.791","0.004","24.221","0.003","90","","90","","90","","5510.7","1.9","103","2","103","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H72 B2 Cl3 Cu3 N4 -","- C54 H72 B2 Cl3 Cu3 N4 -","- C216 H288 B8 Cl12 Cu12 N16 -","4","0.5","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0422","0.0316","","","0.0787","0.084","","","","","","1.028","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4127694","11.721","0.0009","14.0235","0.001","40.538","0.003","90","","90","","90","","6663.2","0.9","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C71 H72 Cl2 N2 O8 Rh2 -","- C71 H72 Cl2 N2 O8 Rh2 -","- C284 H288 Cl8 N8 O32 Rh8 -","4","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.71073","MoKα","","0.0384","0.0366","","","0.082","0.0828","","","","","","1.245","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4128183","35.627","0.002","9.1472","0.0007","9.3099","0.0008","90","","90","","90","","3034","0.4","293","2","293.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H32 Br2 N2 -","- C36 H32 Br2 N2 -","- C144 H128 Br8 N8 -","4","0.5","","Su, Lebin; Ren, Tianbing; Dong, Jianyu; Liu, Lixin; Xie, Shimin; Yuan, Lin; Zhou, Yongbo; Yin, Shuang-Feng","Cu(I)-Catalyzed 6- endo-dig Cyclization of Terminal Alkynes, 2-Bromoaryl Ketones, and Amides toward 1-Naphthylamines: Applications and Photophysical Properties.","Journal of the American Chemical Society","2019","141","6","2535","2544","10.1021/jacs.8b12495","","","0.71073","MoKα","","0.168","0.1479","","","0.2911","0.2998","","","","","","1.124","","","","has coordinates,has disorder","221317","2020-10-21","18:00:00",""
"4128236","34.5995","0.0003","21.4956","0.0002","27.1188","0.0002","90","","90","","90","","20169.3","0.3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C94 H24 Mo18 N10 O62 P2 -","- C94 H24 Mo18 N10 O62 P2 -","- C376 H96 Mo72 N40 O248 P8 -","4","0.5","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.1059","0.0816","","","0.2441","0.2702","","","","","","1.03","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128348","31.3135","0.0005","27.0073","0.0003","18.5226","0.0002","90","","90","","90","","15664.4","0.3","120","0.1","120","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24.0004 Cd0.9996 S18 -","- C576 H648 Au96.0016 Cd3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0652","0.0559","","","0.1453","0.152","","","","","","1.059","","","","has coordinates,has disorder","221471","2020-10-21","18:00:00",""
"4128349","31.2563","0.0011","26.9439","0.0005","18.457","0.0005","90","","90","","90","","15543.9","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.1395","0.0824","","","0.1301","0.1504","","","","","","1.136","","","","has coordinates,has disorder","221472","2020-10-21","18:00:00",""
"4128350","31.2914","0.0004","27.0095","0.0003","18.5163","0.0002","90","","90","","90","","15649.3","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.0497","0.0407","","","0.0797","0.0826","","","","","","1.235","","","","has coordinates,has disorder","221473","2020-10-21","18:00:00",""
"4128661","13.1805","0.0017","18.929","0.002","19.042","0.002","90","","90","","90","","4750.9","0.9","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H36 N O9 P3 Si0.5 -","- C16 H36 N O9 P3 Si0.5 -","- C128 H288 N8 O72 P24 Si4 -","8","1","","Geeson, Michael B.; Ríos, Pablo; Transue, Wesley J.; Cummins, Christopher C.","Orthophosphate and Sulfate Utilization for C-E (E = P, S) Bond Formation via Trichlorosilyl Phosphide and Sulfide Anions.","Journal of the American Chemical Society","2019","141","15","6375","6384","10.1021/jacs.9b01475","","","0.71073","MoKα","","0.0801","0.043","","","0.089","0.1027","","","","","","1.021","","","","has coordinates","221742","2020-10-21","18:00:00",""
"4128961","11.3768","0.0004","22.6888","0.0006","24.5582","0.0007","90","","90","","90","","6339.1","0.3","100","","100","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C172 H232 B8 Cl32 F32 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.1039","0.0953","","","0.2362","0.2442","","","","","","1.127","","","","has coordinates,has disorder","221993","2020-10-21","18:00:00",""
"4130137","24.5115","0.0007","24.6966","0.0009","18.6378","0.0006","90","","90","","90","","11282.4","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","FLP2","","","- C31 H29 F5 N3 O Re -","- C31 H29 F5 N3 O Re -","- C496 H464 F80 N48 O16 Re16 -","16","2","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.0479","0.0293","","","0.0523","0.0572","","","","","","1.028","","","","has coordinates","240698","2020-10-21","18:00:00",""
"4130445","15.982","0.005","16.075","0.005","28.684","0.01","90","","90","","90","","7369","4","291","2","291","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C31 H57 B2 Ir O6 P2 -","- C31 H57 B2 Ir O6 P2 -","- C248 H456 B16 Ir8 O48 P16 -","8","1","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0644","0.0268","","","0.0539","0.0664","","","","","","1.001","","","","has coordinates,has disorder","240878","2020-10-21","18:00:00",""
"4130585","13.6978","0.0004","10.8575","0.0004","8.7607","0.0003","90","","90","","90","","1302.93","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H12 I2 O2 Pb S2 -","- C4 H12 I2 O2 Pb S2 -","- C16 H48 I8 O8 Pb4 S8 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","","0.71073","MoKα","","0.0307","0.0274","","","0.064","0.0663","","","","","","1.07","","","","has coordinates","240985","2020-10-21","18:00:00",""
"4131010","19.0058","0.0018","19.4184","0.0019","27.044","0.003","90","","90","","90","","9980.9","1.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C116 H106 Ag4 O4 P4 -","- C116 H94 Ag4 O4 P4 -","- C464 H376 Ag16 O16 P16 -","4","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0614","0.0485","","","0.123","0.1361","","","","","","1.119","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131249","17.6869","0.0007","17.5134","0.0007","17.6063","0.0006","90","","90","","90","","5453.7","0.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C72 H62 B2 N2 -","- C72 H62 B2 N2 -","- C288 H248 B8 N8 -","4","0.5","","Santos, Willy G.; Budkina, Darya S.; Deflon, Victor M.; Tarnovsky, Alexander N.; Cardoso, Daniel R.; Forbes, Malcolm D. E.","Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.","Journal of the American Chemical Society","2017","139","23","7681","7684","10.1021/jacs.7b01946","","","0.71073","MoKα","","0.0882","0.0513","","","0.1321","0.1556","","","","","","1.042","","","","has coordinates","241498","2020-10-21","18:00:00",""
"4131495","20.087","0.005","8.0724","0.0018","19.633","0.005","90","","90","","90","","3183.5","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H15 Br O2 -","- C19 H15 Br O2 -","- C152 H120 Br8 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0786","0.0412","","","0.0969","0.1101","","","","","","1.034","","","","has coordinates","241685","2020-10-21","18:00:00",""
"4131991","21.7735","0.0006","14.1989","0.0004","9.4343","0.0003","90","","90","","90","","2916.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H12 Cl N3 O5 S -","- C12 H12 Cl N3 O5 S -","- C96 H96 Cl8 N24 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.047","0.0418","","","0.1233","0.1271","","","","","","1.074","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4132103","43.3239","0.0011","25.6455","0.0009","10.7279","0.0003","90","","90","","90","","11919.4","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C68 H79 N5 O6 -","- C68 H79 N5 O6 -","- C544 H632 N40 O48 -","8","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1096","0.089","","","0.1752","0.1858","","","","","","1.124","","","","has coordinates,has disorder","242146","2020-10-21","18:00:00",""
"4132458","20.8838","0.001","17.9885","0.001","18.4736","0.001","90","","90","","90","","6939.9","0.6","100","","100","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C256 H352 Au8 Cl24 F48 N8 P8 Sb8 -","4","0.5","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0913","0.0468","","","0.1034","0.1292","","","","","","1.059","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132792","19.9297","0.001","28.037","0.0014","16.571","0.0009","90","","90","","90","","9259.4","0.8","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H69 N3 O9 Si2 W -","- C39 H69 N3 O9 Si2 W -","- C312 H552 N24 O72 Si16 W8 -","8","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0945","0.038","","","0.0668","0.0831","","","","","","1.058","","","","has coordinates","242691","2020-10-21","18:00:00",""
"4132806","15.0337","0.0001","15.0402","0.0001","25.0437","0.0002","90","","90","","90","","5662.63","0.07","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N6 O5.5 Zn -","- C11 H9 N6 O5.5 Zn -","- C176 H144 N96 O88 Zn16 -","16","2","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0665","0.0659","","","0.1743","0.1754","","","","","","1.066","","","","has coordinates","242707","2020-10-21","18:00:00",""
"4133178","22.0617","0.0003","19.6394","0.0003","19.1538","0.0004","90","","90","","90","","8298.9","0.2","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H62 Cu K2 N10 O6 -","- C30 H62 Cu K2 N10 O6 -","- C240 H496 Cu8 K16 N80 O48 -","8","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.041","0.0324","","","0.0796","0.0846","","","","","","1.05","","","","has coordinates,has disorder","243014","2020-10-21","18:00:00",""
"4134627","19.9522","0.001","13.7412","0.0006","18.6004","0.0008","90","","90","","90","","5099.6","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H29 B10 N2 O2 -","- C22 H29 B10 N2 O2 -","- C176 H232 B80 N16 O16 -","8","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1233","0.0967","","","0.2609","0.2882","","","","","","1.071","","","","has coordinates,has disorder","250451","2020-10-21","18:00:00",""
"4135043","35.3596","0.0001","34.5841","0.0002","34.619","0.0001","90","","90","","90","","42334.9","0.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C398 H305 B10 Cu10 F40 N40 O4.5 S20 -","- C398 H305 B9 Cu10 F36 N40 O4.5 S20 -","- C1592 H1220 B36 Cu40 F144 N160 O18 S80 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.116","0.0949","","","0.3027","0.3188","","","","","","1.087","","","","has coordinates,has disorder","252512","2020-10-21","18:00:00",""
"4300236","18.5828","0.0005","18.6385","0.0006","28.3267","0.0009","90","","90","","90","","9811.1","0.5","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C93 H136 K6 O12.25 -","- C93 H136 K6 O12.25 -","- C372 H544 K24 O49 -","4","0.5","","Maarten B. Dinger; Michael J. Scott","Alkali Salts of C3-Symmetric, Linked Aryloxides: Selective Binding of Substrates with Metal Aggregates","Inorganic Chemistry","2000","39","","1238","1254","10.1021/ic991309q","","","0.71073","MoKα","","0.1292","0.0733","","","0.1935","0.2362","","","","","","1.008","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300644","21.288","0.004","6.4991","0.0013","21.651","0.004","90","","90","","90","","2995.5","1","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C17 H27 Cl N2 Na2 Ni O26.5 Pr -","- C17 H12 Cl N2 Na2 Ni O26.5 Pr -","- C68 H48 Cl4 N8 Na8 Ni4 O106 Pr4 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051707v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300698","8.2168","0.0008","16.2964","0.0014","17.6858","0.0019","90","","90","","90","","2368.2","0.4","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H26 Hg N4 S4 -","- C20 H26 Hg N4 S4 -","- C80 H104 Hg4 N16 S16 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4302038","24.3082","0.001","13.9342","0.0006","17.2305","0.0007","90","","90","","90","","5836.2","0.4","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H25 I3 N2 Zn -","- C24 H25 I3 N2 Zn -","- C192 H200 I24 N16 Zn8 -","8","1","","Sibaprasad Bhattacharyya; Aurora E. Clark; Maren Pink; Jeffrey M. Zaleski","Structure Modulated Electronic Contributions to Metalloenediyne Reactivity: Synthesis and Thermal Bergman Cyclization of MLX2 Compounds","Inorganic Chemistry","2009","48","","3916","3925","10.1021/ic801116q","","","0.71073","MoKα","","0.0376","0.0257","","","0.0545","0.0571","","","","","","1.033","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302144","22.1502","0.0009","36.173","0.002","20.044","0.0012","90","","90","","90","","16060","1.5","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C108 H132 K2 N74 O78 Re6 Sm2 -","- C108 H120 K2 N74 O78 Re6 Sm2 -","- C432 H480 K8 N296 O312 Re24 Sm8 -","4","0.5","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.1204","0.0591","","","0.1328","0.1466","","","","","","0.998","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302508","18.7729","0.00016","9.36972","0.000086","10.09461","0.000088","90","","90","","90","","1775.61","0.03","293","","300","","","","","","","","","9","P c c n","-P 2ab 2ac","56","","Manganese diruthenium(II,III) tetracarbonate","","- C4 H8 Mn O16 Ru2 en lv so t -","- C4 K1.2894 Mn O18.806 Ru2 -","- C16 K5.1576 Mn4 O75.224 Ru8 -","4","0.5","","Bretni S. Kennon; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Diruthenium Tetracarbonate Trianion, [RuII/III2(O2CO)4]3-, Based Molecule-Based Magnets: Three-Dimensional Network Structure and Two-Dimensional Magnetic Ordering","Inorganic Chemistry","2009","48","","6117","6123","10.1021/ic900470h","powder diffraction","","0.696677","synchrotron","","","","","","","","","0.015","1.813","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304258","17.064","0.003","9.4","0.002","16.945","0.003","90","","90","","90","","2718","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H38 Al Cu N2 O4 -","- C22 H38 Al Cu N2 O4 -","- C88 H152 Al4 Cu4 N8 O16 -","4","0.5","","Michael Veith; Kroum Valtchev; Volker Huch","Tetraalkoxyaluminates of Nickel(II), Copper(II), and Copper(I)","Inorganic Chemistry","2008","47","","1204","1217","10.1021/ic701729y","","","0.71073","MoKα","","0.0985","0.0635","","","0.1728","0.1907","","","","","","1.025","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304263","18.147","0.004","19.441","0.004","22.54","0.005","90","","90","","90","","7952","3","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C78 H74 Cl4 Cu2 O P4 S5 Sn -","- C78 H72 Cl4 Cu2 O P4 S5 Sn -","- C312 H288 Cl16 Cu8 O4 P16 S20 Sn4 -","4","0.5","","Long-Sheng Wang; Tian-Lu Sheng; Xin Wang; Dong-Bo Chen; Sheng-Min Hu; Rui-Biao Fu; Sheng-Chang Xiang; Xin-Tao Wu","Self-Assembly of Luminescent Sn(IV)/Cu/S Clusters Using Metal Thiolates as Metalloligands","Inorganic Chemistry","2008","47","","4054","4059","10.1021/ic701741m","","","0.71073","MoKα","","0.0882","0.0672","","","0.1994","0.227","","","","","","1.011","","","","has coordinates,has disorder","179080","2020-10-21","18:00:00",""
"4304264","18.1073","0.0003","18.6699","0.0002","23.1699","0.0004","90","","90","","90","","7832.9","0.2","293","2","293","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C82 H84 Br0 Cu2 N2 O3 P4 S5 Sn -","- C82 H83 Cu2 N2 O3 P4 S5 Sn -","- C328 H332 Cu8 N8 O12 P16 S20 Sn4 -","4","0.5","","Long-Sheng Wang; Tian-Lu Sheng; Xin Wang; Dong-Bo Chen; Sheng-Min Hu; Rui-Biao Fu; Sheng-Chang Xiang; Xin-Tao Wu","Self-Assembly of Luminescent Sn(IV)/Cu/S Clusters Using Metal Thiolates as Metalloligands","Inorganic Chemistry","2008","47","","4054","4059","10.1021/ic701741m","","","0.71073","MoKα","","","0.0619","","","0.1084","0.1337","","","","","","1.166","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304295","29.764","0.004","12.0886","0.0017","17.881","0.003","90","","90","","90","","6433.7","1.7","100","0.1","100","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","eisjs28","","","- C64 H50 Au4 Cl2 N4 P4 S2 -","- C64 H50 Au4 Cl2 N4 P4 S2 -","- C256 H200 Au16 Cl8 N16 P16 S8 -","4","0.5","","Jacob Schneider; Young-A Lee; Javier Pérez; William W. Brennessel; Christine Flaschenriem; Richard Eisenberg","Strong Intra- and Intermolecular Aurophilic Interactions in a New Series of Brilliantly Luminescent Dinuclear Cationic and Neutral Au(I) Benzimidazolethiolate Complexes","Inorganic Chemistry","2008","47","","957","968","10.1021/ic701763x","","","0.71073","MoKα","","0.1121","0.0599","","","0.1184","0.1347","","","","","","1.066","","","","has coordinates,has disorder","179080","2020-10-21","18:00:00",""
"4304398","18.5441","0.0003","39.6","0.0006","10.2814","0.0002","90","","90","","90","","7550.1","0.2","200","","200","","","","","","","","from UNSW","7","P c c n","-P 2ab 2ac","56","","","","- C35.5 H37.5 Cl5 N4 O0.25 P2 Ru -","- C35.5 H37.49 Cl5 N4 O0.245 P2 Ru -","- C284 H299.92 Cl40 N32 O1.96 P16 Ru8 -","8","1","","Dabb, Serin L.; Messerle, Barbara A.; Smith, Matthew K.; Willis, Anthony C.","Ru and Os Complexes Containing a P,N-Donor Heterotopic Ligand: The Effect of Solvent on Stereochemistry","Inorganic Chemistry","2008","47","8","3034","3044","10.1021/ic7019044","","","0.71073","MoKα","","0.0714","0.027","","0.0993","0.0615","0.0993","","","","","","0.9923","","","","has coordinates","210348","2020-10-21","18:00:00",""
"4304519","27.925","0.005","16.721","0.003","24.254","0.004","90","","90","","90","","11325","3","293","2","295","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C52 H52 Ag5 B3 F12 N8 O -","- C52 H52 Ag5 B3 F12 N8 O -","- C416 H416 Ag40 B24 F96 N64 O8 -","8","1","","Mei-Li Chen; Xue-Fei Xu; Ze-Xing Cao; Quan-Ming Wang","Ligand- and Anion-Controlled Formation of Silver Alkynyl Oligomers from Soluble Precursors","Inorganic Chemistry","2008","47","","1877","1879","10.1021/ic702023e","","","0.71073","MoKα","","0.105","0.0784","","","0.192","0.2119","","","","","","1.078","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304834","49.793","0.005","17.495","0.005","22.705","0.005","90","0.005","90","0.005","90","0.005","19779","7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C60 H50 Ag4 N12 O62 P2 W18 -","- C60 H48 Ag4 N12 O62 P2 W18 -","- C480 H384 Ag32 N96 O496 P16 W144 -","8","1","","Jingquan Sha; Jun Peng; Yaqan Lan; Zhongmin Su; Haijun Pang; Aixiang Tian; Pengpeng Zhang; Min Zhu","pH-Dependent Assembly of Hybrids Based on Wells-Dawson POM/Ag Chemistry","Inorganic Chemistry","2008","47","","5145","5153","10.1021/ic702407y","","","0.71069","MoKα","","0.0885","0.0713","","","0.1788","0.1922","","","","","","1.023","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304972","18.1526","0.0013","10.0844","0.0006","10.1725","0.0007","90","","90","","90","","1862.2","0.2","294.15","","294.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C5 H9 Cd N5 O2 -","- C5 H4 Cd N5 O2 -","- C40 H32 Cd8 N40 O16 -","8","1","","Rui-Bo Zhang; Zhao-Ji Li; Ye-Yan Qin; Jian-Kai Cheng; Jian Zhang; Yuan-Gen Yao","Synthesis, Structure, and Physical Properties of a New Anions-Controlled Cd(II)-Guanazole (3,5-Diamino-1,2,4-triazole) Hybrid Family","Inorganic Chemistry","2008","47","","4861","4876","10.1021/ic8001042","","","0.71073","MoKα","","0.0462","0.0351","","","0.0873","0.0918","","","","","","1.089","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304997","39.463","0.0007","15.8829","0.0003","19.1251","0.0004","90","","90","","90","","11987.4","0.4","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","?","- C776 H1312 Fe16 N40 P64 -","- C776 H1312 Fe16 N40 P64 -","","","","Debashis Adhikari; Falguni Basuli; Hongjun Fan; John C. Huffman; Maren Pink; Daniel J. Mindiola","P=N Bond Formation via Incomplete N-Atom Transfer from a Ferrous Amide Precursor","Inorganic Chemistry","2008","47","","4439","4441","10.1021/ic800182m","","","","","","","","","","","","","","","","","","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305799","13.23","0.002","14.983","0.002","10.712","0.001","90","","90","","90","","2123.4","0.5","301","2","301","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H40 N6 O2 Ru -","- C18 H36 N6 O2 Ru -","- C72 H144 N24 O8 Ru4 -","4","0.5","","Chun-Yuen Wong; Fu-Wa Lee; Chi-Ming Che; Yung Fong Cheng; David Lee Phillips; Nianyong Zhu","Spectroscopic Studies and Structures of trans-Ruthenium(II) and Ruthenium(III) Bis(cyanide) Complexes Supported by a Tetradentate Macrocyclic Tertiary Amine Ligand","Inorganic Chemistry","2008","47","","10308","10316","10.1021/ic800743a","","","0.71073","MoKα","","0.0572","0.0303","","","0.0828","0.0959","","","","","","1.061","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4306372","29.241","0.006","9.2388","0.0018","11.773","0.002","90","","90","","90","","3180.5","1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","tetrakis(mu-dithiohexanoato)diplatinum","","- C24 H44 Pt2 S8 -","- C24 H44 Pt2 S8 -","- C96 H176 Pt8 S32 -","4","0.5","","Alejandro Guijarro; Óscar Castillo; Arrigo Calzolari; Pablo J. Sanz Miguel; Carlos J. Gómez-García; Rosa di Felice; Félix Zamora","Electrical Conductivity in Platinum-Dimer Columns","Inorganic Chemistry","2008","47","","9736","9738","10.1021/ic801211m","","","1.54178","CuKα","","0.0921","0.0666","","","0.1713","0.2011","","","","","","1.049","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4307359","12.5716","0.0018","12.8307","0.0019","16.406","0.002","90","","90","","90","","2646.3","0.6","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(19) Ti(OPy)2(4AP)2","","","- C29 H29 N5 O4 Ti -","- C29 H29 N5 O4 Ti -","- C116 H116 N20 O16 Ti4 -","4","0.5","","Timothy J. Boyle; Robin M. Sewell; Leigh Anna M. Ottley; Harry D. Pratt; Christopher J. Quintana; Scott D. Bunge","Controlled Synthesis of a Structurally Characterized Family of Sterically Constrained Heterocyclic Alkoxy-Modified Titanium Alkoxides","Inorganic Chemistry","2007","46","","1825","1835","10.1021/ic0618798","","","0.71073","MoKα","","0.1244","0.075","","","0.1207","0.1374","","","","","","1.107","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4308452","14.626","0.005","15.245","0.005","16.531","0.005","90","","90","","90","","3686","2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H52 Gd2 N6 O -","- C34 H52 Gd2 N6 O -","- C136 H208 Gd8 N24 O4 -","4","0.5","","Jie Zhang; Xigeng Zhou; Ruifang Cai; Linhong Weng","Reactivity of Organolanthanide and Organolithium Complexes Containing the Guanidinate Ligands toward Isocyanate or Carbodiimide: Synthesis and Crystal Structures","Inorganic Chemistry","2005","44","","716","722","10.1021/ic048683x","","","0.71073","MoKα","","0.061","0.0494","","","0.099","0.1051","","","","","","1.036","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308771","17.885","0.002","15.005","0.003","7.4444","0.0008","90","0.002","90","0.002","90","0.002","1997.8","0.5","198.2","","198.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H13 N3 O -","- C10 H13 N3 O -","- C80 H104 N24 O8 -","8","1","","Maria B. Ezhova; Brian O. Patrick; Kapila N. Sereviratne; Brian R. James; Francis J. Waller; Michael E. Ford","Interactions of Rh(III)-Dihydrido-Bis(phosphine) Complexes with Semicarbazones","Inorganic Chemistry","2005","44","","1482","1491","10.1021/ic0489185","","","0.7107","MoKα","","0.0651","0.034","","0.0912","","0.0912","","","1.045","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308997","10.4753","0.0006","18.4315","0.001","18.9245","0.0011","90","","90","","90","","3653.9","0.4","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C32 H48 F6 N2 O2 P3 Re -","- C32 H48 F6 N2 O2 P3 Re -","- C128 H192 F24 N8 O8 P12 Re4 -","4","0.5","","Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson","Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions","Inorganic Chemistry","2005","44","","2381","2390","10.1021/ic048670j","","","0.71073","MoKα","","0.029","0.0197","","","0.043","0.0463","","","","","","1.036","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309502","14.908","0.005","15.273","0.005","18.302","0.003","90","","90","","90","","4167","2","140","2","140","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C32 H39 Cl2 N12 O10.5 P2 Zn -","- C32 H38 Cl2 N12 O10.5 P2 Zn -","- C128 H152 Cl8 N48 O42 P8 Zn4 -","4","0.5","","Alexander Schiller; Rosario Scopelliti; Meriem Benmelouka; Kay Severin","Highly Cross-linked Polymers Containing N,N',N''-Chelate Ligands for the Cu(II)-Mediated Hydrolysis of Phosphoesters","Inorganic Chemistry","2005","44","","6482","6492","10.1021/ic0504588","","","0.7107","MoKα","","0.078","0.0503","","","0.1319","0.1474","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309617","20.5414","0.0009","21.3611","0.0009","18.455","0.0008","90","","90","","90","","8097.8","0.6","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H34 O14.5 P Pt Ru5 -","- C29 H34 O14.5 P Pt Ru5 -","- C232 H272 O116 P8 Pt8 Ru40 -","8","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Synthesis of PtRu5(CO)14(PBut3)(μ-H)2(μ6-C) and Its Reactions with Pt(PBut3)2, HGePh3, and HSnPh3","Inorganic Chemistry","2005","44","","6623","6631","10.1021/ic051007q","","","0.71073","MoKα","","0.0339","0.0241","","","0.0556","0.0611","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309750","10.571","0.0012","22.826","0.003","7.9743","0.0009","90","","90","","90","","1924.1","0.4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H10 Cl2 N2 Pt -","- C6 H10 Cl2 N2 Pt -","- C48 H80 Cl16 N16 Pt8 -","8","1","","Geraldine McGowan; Simon Parsons; Peter J. Sadler","Contrasting Chemistry of cis- and trans-Platinum(II) Diamine Anticancer Compounds: Hydrolysis Studies of Picoline Complexes","Inorganic Chemistry","2005","44","","7459","7467","10.1021/ic050763t","","","0.71073","MoKα","","0.0518","0.0431","","","0.09","0.0921","","","","","","1.361","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309752","11.5185","0.0004","22.3413","0.0007","7.6232","0.0003","90","","90","","90","","1961.74","0.12","150","2","150","2","","","","","","","Geraldine McGowan, reaction GM77","5","P c c n","-P 2ab 2ac","56","","","","- C6 H10 Cl2 N2 Pt -","- C6 H10 Cl2 N2 Pt -","- C48 H80 Cl16 N16 Pt8 -","8","1","","Geraldine McGowan; Simon Parsons; Peter J. Sadler","Contrasting Chemistry of cis- and trans-Platinum(II) Diamine Anticancer Compounds: Hydrolysis Studies of Picoline Complexes","Inorganic Chemistry","2005","44","","7459","7467","10.1021/ic050763t","","","0.71073","MoKα","","0.0468","0.0307","","","0.0629","0.0668","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4310068","14.895","0.0002","8.158","0.0004","13.348","0.0005","90","","90","","90","","1621.96","0.1","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H32 Ag8 Fe4 N32 -","- C48 H32 Ag8 Fe4 N32 -","- C48 H32 Ag8 Fe4 N32 -","1","0.125","","Ana Galet; M. Carmen Muñoz; Ana B. Gaspar; José A. Real","Architectural Isomerism in the Three-Dimensional Polymeric Spin Crossover System {Fe(pmd)2[Ag(CN)2]2}: Synthesis, Structure, Magnetic Properties, and Calorimetric Studies","Inorganic Chemistry","2005","44","","8749","8755","10.1021/ic0509074","","","0.71073","MoKα","","0.0338","0.0256","","","0.061","0.0643","","","","","","1.089","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310069","15.77","0.0002","8.298","0.0004","13.418","0.0006","90","","90","","90","","1755.87","0.12","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Ana Galet; M. Carmen Muñoz; Ana B. Gaspar; José A. Real","Architectural Isomerism in the Three-Dimensional Polymeric Spin Crossover System {Fe(pmd)2[Ag(CN)2]2}: Synthesis, Structure, Magnetic Properties, and Calorimetric Studies","Inorganic Chemistry","2005","44","","8749","8755","10.1021/ic0509074","","","0.71073","MoKα","","0.0356","0.0251","","","0.0582","0.0625","","","","","","1.008","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310147","9.9218","0.0007","13.1236","0.0009","18.0166","0.0016","90","","90","","90","","2345.9","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C19 H26 Cl2 Co N4 O3 S2 -","- C19 H26 Cl2 Co N4 O3 S2 -","- C76 H104 Cl8 Co4 N16 O12 S8 -","4","0.5","","Benlai Wu; Daqiang Yuan; Benyong Lou; Lei Han; Caiping Liu; Chunxi Zhang; Maochun Hong","Dynamic Formation of Coordination Polymers versus Tetragonal Prisms and Unexpected Magnetic Superexchange Coupling Mediated by Encapsulated Anions in the Cobalt(II) 1,3-Bis(pyrid-4-ylthio)propan-2-one Series","Inorganic Chemistry","2005","44","","9175","9184","10.1021/ic050455v","","","0.71073","MoKα","","0.0363","0.0341","","","0.0777","0.0789","","","","","","1.135","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4310503","16.0518","0.0007","16.8922","0.0007","31.761","0.0013","90","","90","","90","","8612","0.6","293","2","293","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C39.25 H34.5 Cl2.5 Cu N2 O4 P2 Pt0.5 S -","- C39.25 H34 Cl2.5 Cu N2 O4 P2 Pt0.5 S -","- C314 H272 Cl20 Cu8 N16 O32 P16 Pt4 S8 -","8","1","","Yan-Dan Chen; Yong-Hai Qin; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and Metal Diphosphine as Components","Inorganic Chemistry","2004","43","","1197","1205","10.1021/ic034848a","","","0.71073","MoKα","","0.1315","0.0806","","","0.1762","0.2028","","","","","","1.243","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311625","16.2442","0.0011","17.4381","0.0012","15.4129","0.0011","90","","90","","90","","4366","0.5","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C19 H20 Cl Cu F6 N4 O P -","- C19 H20 Cl Cu F6 N4 O P -","- C152 H160 Cl8 Cu8 F48 N32 O8 P8 -","8","1","","Baldo Lucchese; Kristi J. Humphreys; Dong-Heon Lee; Christopher D. Incarvito; Roger D. Sommer; Arnold L. Rheingold; Kenneth D. Karlin","Mono-, Bi-, and Trinuclear CuII-Cl Containing Products Based on the Tris(2-pyridylmethyl)amine Chelate Derived from Copper(I) Complex Dechlorination Reactions of Chloroform","Inorganic Chemistry","2004","43","","5987","5998","10.1021/ic0497477","","","0.71073","MoKα","","0.0786","0.0542","","","0.1397","0.1584","","","","","","1.036","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311967","19.686","0.0012","15.448","0.0012","18.1817","0.0012","90","","90","","90","","5529.2","0.7","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C56 H80 O4 S2 V -","- C56 H80 O4 S2 V -","- C224 H320 O16 S8 V4 -","4","0.5","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.0826","0.0506","","0.1483","0.1207","","","","1.024","1.088","1.088","","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311968","19.4267","0.0011","15.3404","0.0009","18.8858","0.0011","90","","90","","90","","5628.2","0.6","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C56 H80 O4 Se2 V -","- C56 H80 O4 Se2 V -","- C224 H320 O16 Se8 V4 -","4","0.5","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.1107","0.057","","0.1155","0.1003","","","","1.024","1.147","1.147","","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4312013","9.1543","0.0006","9.3381","0.0006","13.4586","0.0008","90","","90","","90","","1150.49","0.13","193","2","193","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H20 N2 -","- C11 H20 N2 -","- C44 H80 N8 -","4","0.5","","Neil Burford; C. Adam Dyker; Andrew D. Phillips; Heather A. Spinney; Andreas Decken; Robert McDonald; Paul J. Ragogna; Arnold L. Rheingold","Ylidene\ρightarrowIminophosphine Coordination Complexes and Reversible Dissociation of Dichlorophosphetidines","Inorganic Chemistry","2004","43","","7502","7507","10.1021/ic049333d","","","0.71073","MoKα","","0.0438","0.04","","","0.1096","0.1128","","","","","","1.092","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312452","15.998","0.002","5.1479","0.0006","8.821","0.0008","90","","90","","90","","726.46","0.14","297","","","","","","","","","","Local laboratory","4","P c c n","-P 2ab 2ac","56","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","0.5","","Maximilian N. Kopylovich; Armando J. L. Pombeiro; Andreas Fischer; Lars Kloo; Vadim Yu. Kukushkin","Facile Ni(II)/Ketoxime-Mediated Conversion of Organonitriles into Imidoylamidine Ligands. Synthesis of Imidoylamidines and Acetyl Amides","Inorganic Chemistry","2003","42","","7239","7248","10.1021/ic0349813","","","0.71073","MoKα","","0.0817","0.0554","","","0.1416","0.1577","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312480","8.497","0.003","17.104","0.006","23.197","0.007","90","","90","","90","","3371","2","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H20 Ag3 Cl3 N4 O12 S4 -","- C22 H20 Ag3 Cl3 N4 O12 S4 -","- C88 H80 Ag12 Cl12 N16 O48 S16 -","4","0.5","","Xian-He Bu; Ya-Bo Xie; Jian-Rong Li; Ruo-Hua Zhang","Adjusting the Frameworks of Silver(I) Complexes with New Pyridyl Thioethers by Varying the Chain Lengths of Ligand Spacers, Solvents, and Counteranions","Inorganic Chemistry","2003","42","","7422","7430","10.1021/ic034454j","","","0.71073","MoKα","","0.0647","0.0409","","","0.0775","0.0861","","","","","","1.159","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4314377","22.383","0.003","13.4299","0.0015","18.332","0.002","90","","90","","90","","5510.6","1.1","188","2","188","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C51 H42 Cl2 F6 Fe2 N8 O10 S2 -","- C51 H42 Cl2 F6 Fe2 N8 O10 S2 -","- C204 H168 Cl8 F24 Fe8 N32 O40 S8 -","4","0.5","","Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard","Modeling Features of the Non-Heme Diiron Cores in O2-Activating Enzymes through the Synthesis, Characterization, and Oxidation of 1,8-Naphthyridine-Based Complexes","Inorganic Chemistry","2003","42","","6447","6457","10.1021/ic0345976","","","0.71073","MoKα","","0.0997","0.0627","","","0.1488","0.168","","","","","","1.112","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314591","15.192","0.0019","21.588","0.002","26.639","0.004","90","","90","","90","","8736.7","1.9","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))(1,2-dimethoxyethane-O,O')strontium","","- C94 H114 N6 O2 Sr -","- C94 H114 N6 O2 Sr -","- C376 H456 N24 O8 Sr4 -","4","0.5","","Hyui Sul Lee; Mark Niemeyer","Homoleptic Heavy Alkaline Earth and Europium Triazenides","Inorganic Chemistry","2010","49","","730","735","10.1021/ic902055h","","","0.71073","MoKα","","0.1368","0.061","","","0.1371","0.1578","","","","","","0.734","","","","has coordinates,has disorder","179221","2020-10-21","18:00:00",""
"4315053","26.835","0.007","6.8826","0.0018","20.754","0.005","90","","90","","90","","3833.2","1.7","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H30 Cl3 La N12 O21 -","- C24 H30 Cl3 La N12 O21 -","- C96 H120 Cl12 La4 N48 O84 -","4","0.5","","Hai-Ying Wang; Jun-Yan Cheng; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N'-Dioxides and Ln(III) Salts","Inorganic Chemistry","2010","49","","2416","2426","10.1021/ic902311g","","","0.71073","MoKα","","0.047","0.0433","","","0.1145","0.1172","","","","","","1.098","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315054","26.781","0.003","6.8686","0.0007","20.678","0.002","90","","90","","90","","3803.7","0.7","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H30 Cl3 N12 O21 Pr -","- C24 H30 Cl3 N12 O21 Pr -","- C96 H120 Cl12 N48 O84 Pr4 -","4","0.5","","Hai-Ying Wang; Jun-Yan Cheng; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N'-Dioxides and Ln(III) Salts","Inorganic Chemistry","2010","49","","2416","2426","10.1021/ic902311g","","","0.71073","MoKα","","0.0432","0.0398","","","0.1168","0.1192","","","","","","1.096","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315055","26.753","0.005","6.8616","0.0011","20.647","0.003","90","","90","","90","","3790.1","1.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H30 Cl3 N12 Nd O21 -","- C24 H30 Cl3 N12 Nd O21 -","- C96 H120 Cl12 N48 Nd4 O84 -","4","0.5","","Hai-Ying Wang; Jun-Yan Cheng; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N'-Dioxides and Ln(III) Salts","Inorganic Chemistry","2010","49","","2416","2426","10.1021/ic902311g","","","0.71073","MoKα","","0.042","0.0374","","","0.1052","0.108","","","","","","1.095","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315056","26.743","0.003","6.8506","0.0007","20.586","0.002","90","","90","","90","","3771.5","0.7","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H30 Cl3 N12 O21 Sm -","- C24 H30 Cl3 N12 O21 Sm -","- C96 H120 Cl12 N48 O84 Sm4 -","4","0.5","","Hai-Ying Wang; Jun-Yan Cheng; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N'-Dioxides and Ln(III) Salts","Inorganic Chemistry","2010","49","","2416","2426","10.1021/ic902311g","","","0.71073","MoKα","","0.0454","0.0387","","","0.0912","0.0947","","","","","","1.095","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315057","26.732","0.003","6.849","0.0008","20.555","0.002","90","","90","","90","","3763.4","0.7","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H30 Cl3 Eu N12 O21 -","- C24 H30 Cl3 Eu N12 O21 -","- C96 H120 Cl12 Eu4 N48 O84 -","4","0.5","","Hai-Ying Wang; Jun-Yan Cheng; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N'-Dioxides and Ln(III) Salts","Inorganic Chemistry","2010","49","","2416","2426","10.1021/ic902311g","","","0.71073","MoKα","","0.0356","0.0318","","","0.0842","0.0864","","","","","","1.078","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315058","26.704","0.004","6.8451","0.0009","20.524","0.003","90","","90","","90","","3751.6","0.9","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H30 Cl3 Gd N12 O21 -","- C24 H30 Cl3 Gd N12 O21 -","- C96 H120 Cl12 Gd4 N48 O84 -","4","0.5","","Hai-Ying Wang; Jun-Yan Cheng; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N'-Dioxides and Ln(III) Salts","Inorganic Chemistry","2010","49","","2416","2426","10.1021/ic902311g","","","0.71073","MoKα","","0.041","0.0337","","","0.0736","0.0767","","","","","","1.088","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4316071","12.3409","0.0007","16.9744","0.001","9.6776","0.0006","90","","90","","90","","2027.3","0.2","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H26 Cl Ga N4 O10 -","- C12 H22 Cl Ga N4 O10 -","- C48 H88 Cl4 Ga4 N16 O40 -","4","0.5","","Fergal Coleman; Michael J. Hynes; Andrea Erxleben","GaIII Complexes as Models for the MIII Site of Purple Acid Phosphatase: Ligand Effects on the Hydrolytic Reactivity Toward Bis(2,4-dinitrophenyl) phosphate","Inorganic Chemistry","2010","49","","6725","6733","10.1021/ic100722w","","","0.71069","MoKα","","0.0812","0.0562","","","0.1572","0.1695","","","","","","1.074","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4317087","16.8808","0.0012","29.017","0.002","13.8314","0.001","90","","90","","90","","6775","0.8","153","2","123","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H22 O Te -","- C18 H22 O Te -","- C288 H352 O16 Te16 -","16","2","","Makoto Oba; Yasunori Okada; Masaki Endo; Kazuhito Tanaka; Kozaburo Nishiyama; Shigeru Shimada; Wataru Ando","Formation of Diaryl Telluroxides and Tellurones by Photosensitized Oxygenation of Diaryl Tellurides","Inorganic Chemistry","2010","49","","10680","10686","10.1021/ic101708y","","","0.71069","MoKα","","","0.0495","","","","0.119","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317172","11.7059","0.0002","20.5872","0.0004","17.0688","0.0003","90","","90","","90","","4113.44","0.13","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C43 H45 Cl2 Fe N7 O2 -","- C43 H45 Cl2 Fe N7 O2 -","- C172 H180 Cl8 Fe4 N28 O8 -","4","0.5","","Christopher J. Whiteoak; Rafael Torres Martin de Rosales; Andrew J. P. White; George J. P. Britovsek","Iron(II) Complexes with Tetradentate Bis(aminophenolate) Ligands: Synthesis and Characterization, Solution Behavior, and Reactivity with O2","Inorganic Chemistry","2010","49","","11106","11117","10.1021/ic1016998","","","0.71073","MoKα","","0.0972","0.0555","","","0.1588","0.1826","","","","","","1.068","","","","has coordinates,has disorder","179251","2020-10-21","18:00:00",""
"4317255","18.0707","0.0013","37.603","0.003","11.3302","0.0008","90","","90","","90","","7699","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Cr(ditox)3(OtBu)","","","- C34 H72 Cr O4 -","- C34 H72 Cr O4 -","- C272 H576 Cr8 O32 -","8","1","","Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Pseudotetrahedral d0, d1, and d2 Metal-Oxo Cores within a Tris(alkoxide) Platform","Inorganic Chemistry","2010","49","","10759","10761","10.1021/ic101968s","","","0.71073","MoKα","","0.0867","0.0539","","","0.1131","0.1244","","","","","","1.053","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317364","11.8331","0.0002","12.0266","0.0002","14.2175","0.0002","90","","90","","90","","2023.32","0.06","180","1","180","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H16 Cl2 Fe N6 O8 -","- C12 H16 Cl2 Fe N6 O8 -","- C48 H64 Cl8 Fe4 N24 O32 -","4","0.5","","Agata Białońska; Andrew Ozarowski; Robert Bronisz; Kamilla Darowska; Krzysztof Drabent; Joachim Kusz; Miłosz Siczek; Marek Weselski; Maciej Zubko","Nitrile-Rich Coordination Polymer ^1^~\ιnfty~{[Fe(CH~3~CN)~4~(pyrazine)](ClO~4~)~2~} Exhibiting a HS \λeftarrow→LS Transition","Inorganic Chemistry","2010","49","","11267","11269","10.1021/ic102040y","","","0.71073","MoKα","","0.0423","0.0304","","","0.0755","0.0771","","","","","","1.141","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317365","11.7598","0.0002","11.9363","0.0002","13.9234","0.0003","90","","90","","90","","1954.41","0.06","127","1","127","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H16 Cl2 Fe N6 O8 -","- C12 H16 Cl2 Fe N6 O8 -","- C48 H64 Cl8 Fe4 N24 O32 -","4","0.5","","Agata Białońska; Andrew Ozarowski; Robert Bronisz; Kamilla Darowska; Krzysztof Drabent; Joachim Kusz; Miłosz Siczek; Marek Weselski; Maciej Zubko","Nitrile-Rich Coordination Polymer ^1^~\ιnfty~{[Fe(CH~3~CN)~4~(pyrazine)](ClO~4~)~2~} Exhibiting a HS \λeftarrow→LS Transition","Inorganic Chemistry","2010","49","","11267","11269","10.1021/ic102040y","","","0.71073","MoKα","","0.1051","0.0527","","","0.1094","0.1155","","","","","","1.149","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317366","11.7514","0.0002","11.9006","0.0002","13.848","0.0003","90","","90","","90","","1936.62","0.06","115","1","115","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H16 Cl2 Fe N6 O8 -","- C12 H16 Cl2 Fe N6 O8 -","- C48 H64 Cl8 Fe4 N24 O32 -","4","0.5","","Agata Białońska; Andrew Ozarowski; Robert Bronisz; Kamilla Darowska; Krzysztof Drabent; Joachim Kusz; Miłosz Siczek; Marek Weselski; Maciej Zubko","Nitrile-Rich Coordination Polymer ^1^~\ιnfty~{[Fe(CH~3~CN)~4~(pyrazine)](ClO~4~)~2~} Exhibiting a HS \λeftarrow→LS Transition","Inorganic Chemistry","2010","49","","11267","11269","10.1021/ic102040y","","","0.71073","MoKα","","0.0626","0.0458","","","0.1031","0.1059","","","","","","1.526","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317367","11.7416","0.0002","11.8676","0.0002","13.7657","0.0003","90","","90","","90","","1918.18","0.06","102","1","102","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H16 Cl2 Fe N6 O8 -","- C12 H16 Cl2 Fe N6 O8 -","- C48 H64 Cl8 Fe4 N24 O32 -","4","0.5","","Agata Białońska; Andrew Ozarowski; Robert Bronisz; Kamilla Darowska; Krzysztof Drabent; Joachim Kusz; Miłosz Siczek; Marek Weselski; Maciej Zubko","Nitrile-Rich Coordination Polymer ^1^~\ιnfty~{[Fe(CH~3~CN)~4~(pyrazine)](ClO~4~)~2~} Exhibiting a HS \λeftarrow→LS Transition","Inorganic Chemistry","2010","49","","11267","11269","10.1021/ic102040y","","","0.71073","MoKα","","0.0672","0.0503","","","0.1137","0.1163","","","","","","1.698","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317368","11.7086","0.0002","11.8328","0.0002","13.6558","0.0003","90","","90","","90","","1891.95","0.06","80","1","80","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H16 Cl2 Fe N6 O8 -","- C12 H16 Cl2 Fe N6 O8 -","- C48 H64 Cl8 Fe4 N24 O32 -","4","0.5","","Agata Białońska; Andrew Ozarowski; Robert Bronisz; Kamilla Darowska; Krzysztof Drabent; Joachim Kusz; Miłosz Siczek; Marek Weselski; Maciej Zubko","Nitrile-Rich Coordination Polymer ^1^~\ιnfty~{[Fe(CH~3~CN)~4~(pyrazine)](ClO~4~)~2~} Exhibiting a HS \λeftarrow→LS Transition","Inorganic Chemistry","2010","49","","11267","11269","10.1021/ic102040y","","","0.71073","MoKα","","0.0706","0.0527","","","0.1184","0.1207","","","","","","1.783","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4318077","8.458","0.002","35.638","0.009","11.817","0.009","90","","90","","90","","3562","3","288.2","","288.2","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C10.5 H9.5 Cl Co0.25 O0.25 S4 Se4 -","- C10.5 H9.5 Cl Co0.125 O0.125 S4 Se4 -","- C84 H76 Cl8 Co O S32 Se32 -","8","1","","Emiko Fujiwara; Victor Gritsenko; Hideki Fujiwara; Itaru Tamura; Hayao Kobayashi; Madoka Tokumoto; Akiko Kobayashi","Magnetic Molecular Conductors Based on BETS Molecules and Divalent Magnetic Anions [BETS = Bis(ethylenedithio)tetraselenafulvalene]","Inorganic Chemistry","2002","41","","3230","3238","10.1021/ic011160u","","","0.7107","MoKα","","","0.0916","","","","0.127","","","","","","3.187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318709","36.438","0.002","15.1","0.003","17.742","0.004","90","","90","","90","","9762","3","143","2","143","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C51 H61 F2 Ir3 Li N3 O6 -","- C51 H61 F2 Ir3 Li N3 O6 -","- C408 H488 F16 Ir24 Li8 N24 O48 -","8","1","","Marie-Line Lehaire; Rosario Scopelliti; Kay Severin","Stabilization of Molecular LiF and LiFHF inside Metallamacrocyclic Hosts","Inorganic Chemistry","2002","41","","5466","5474","10.1021/ic025749k","","","0.7107","MoKα","","0.0589","0.0425","","","0.0963","0.1055","","","","","","1.113","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318711","36.1548","0.0015","15.5423","0.0007","17.8504","0.0008","90","","90","","90","","10030.7","0.8","143","2","143","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C52 H62 B F4 Li N3 O6 Rh3 -","- C52 H62 B F4 Li N3 O6 Rh3 -","- C416 H496 B8 F32 Li8 N24 O48 Rh24 -","8","1","","Marie-Line Lehaire; Rosario Scopelliti; Kay Severin","Stabilization of Molecular LiF and LiFHF inside Metallamacrocyclic Hosts","Inorganic Chemistry","2002","41","","5466","5474","10.1021/ic025749k","","","0.71073","MoKα","","0.0799","0.0476","","","0.0974","0.1112","","","","","","1.062","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318882","15.9659","0.0005","31.839","0.001","11.7065","0.0004","90","","90","","90","","5950.9","0.3","133.2","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C44 H41 F30 N12 O4 P5 Ru2 -","- C44 H41 F30 N12 O4 P5 Ru2 -","- C176 H164 F120 N48 O16 P20 Ru8 -","4","0.5","","Hirotaka Nagao; Toshiyuki Hirano; Naotoshi Tsuboya; Soni Shiota; Masao Mukaida; Takao Oi; Mikio Yamasaki","Reactions of Acetonitrile Coordinated to a Nitrosylruthenium Complex with H2O or CH3OH under Mild Conditions: Structural Characterization of Imido-Type Complexes","Inorganic Chemistry","2002","41","","6267","6273","10.1021/ic011241q","","","0.7107","MoKα","","","0.0331","","","","0.0579","","","","","","0.846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318975","23.777","0.002","10.0737","0.0013","10.0901","0.0011","90","","90","","90","","2416.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 Cu O8 P2 -","- C16 H36 Cu O8 P2 -","- C64 H144 Cu4 O32 P8 -","4","0.5","","Malaichamy Sathiyendiran; Ramaswamy Murugavel","Di-tert-butyl Phosphate as Synthon for Metal Phosphate Materials via Single-Source Coordination Polymers [M(dtbp)2]n (M = Mn, Cu) and [Cd(dtbp)2(H2O)]n (dtbp-H = (tBuO)2P(O)OH)","Inorganic Chemistry","2002","41","","6404","6411","10.1021/ic0259787","","","0.71069","MoKα","","0.0934","0.0622","","","0.1671","0.1803","","","","","","1.079","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319257","28.391","0.002","31.018","0.003","22.302","0.003","90","","90","","90","","19640","4","153","","153","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C181 H246 Cs3 N7 O27 S16 -","- C181 H237 Cs3 N7 O27 S16 -","- C724 H948 Cs12 N28 O108 S64 -","4","0.5","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.111","0.058","","0.102","","0.063","","","2.112","","","1.676","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4319401","12.7906","0.0006","14.1355","0.0009","23.606","0.001","90","","90","","90","","4268","0.4","213","2","213","2","","","","","","","synthesis","6","P c c n","-P 2ab 2ac","56","","","","- C42 H36 Cl2 Co3 N12 O -","- C42.02 H32 Cl2 Co3 N12 O -","- C168.08 H128 Cl8 Co12 N48 O4 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0475","0.0418","","0.1278","0.1212","","","","1.167","1.181","1.181","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00",""
"4319402","12.7212","0.0008","14.1167","0.0009","23.498","0.002","90","","90","","90","","4219.8","0.5","120","2","120","2","","","","","","","synthesis","6","P c c n","-P 2ab 2ac","56","","","","- C44 H40 Cl2 Co3 N12 O -","- C44 H32 Cl2 Co3 N12 O -","- C176 H128 Cl8 Co12 N48 O4 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.06","0.038","","0.1064","0.0981","","","","1.007","1.104","1.104","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00",""
"4319403","12.8698","0.0006","14.1466","0.0006","23.812","0.001","90","","90","","90","","4335.3","0.3","295","2","295","2","","","","","","","synthesis","6","P c c n","-P 2ab 2ac","56","","","","- C44 H40 Cl2 Co3 N12 O -","- C44 H32 Cl2 Co3 N12 O -","- C176 H128 Cl8 Co12 N48 O4 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0621","0.0381","","0.1097","0.0975","","","","1.049","1.122","1.122","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00",""
"4319412","12.9685","0.0008","14.2468","0.0009","23.7039","0.0014","90","","90","","90","","4379.5","0.5","213","2","213","2","","","","","","","synthesis","5","P c c n","-P 2ab 2ac","56","","","","- C46 H44 Cl2 Co3 N12 -","- C46 H32 Cl2 Co3 N12 -","- C184 H128 Cl8 Co12 N48 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.062","0.0545","","0.1536","0.1493","","","","1.206","1.273","1.273","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319414","13.092","0.001","14.269","0.002","23.928","0.002","90","","90","","90","","4470","0.8","296","2","296","2","","","","","","","synthesis","5","P c c n","-P 2ab 2ac","56","","","","- C46 H44 Cl2 Co3 N12 -","- C46 H32 Cl2 Co3 N12 -","- C184 H128 Cl8 Co12 N48 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0494","0.0389","","0.1314","0.1163","","","","1.112","1.094","1.094","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319913","15.456","0.0007","16.0178","0.0007","13.6571","0.0006","90","","90","","90","","3381.1","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H40 Br4 Na2 O12 U -","- C20 H40 Br4 Na2 O12 U -","- C80 H160 Br16 Na8 O48 U4 -","4","0.5","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.0388","0.0297","","","0.0755","0.0791","","","","","","1.149","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4320512","16.7748","0.0017","24.543","0.003","29.36","0.003","90","","90","","90","","12088","2","158","2","158","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","(Cl4-cat)2Mo2Fe6S8(PnBu3)6","","","- C86 H166 Cl12 Fe6 Mo2 O4 P6 S8 -","- C86 H166 Cl12 Fe6 Mo2 O4 P6 S8 -","- C344 H664 Cl48 Fe24 Mo8 O16 P24 S32 -","4","0.5","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.0962","0.0761","","","0.2054","0.2215","","","","","","1.027","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320897","14.379","0.003","14.47","0.003","18.003","0.004","90","","90","","90","","3745.8","1.4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28 H36 B2 Fe N6 O7 S6 -","- C28 H36 B2 Fe N6 O7 S6 -","- C112 H144 B8 Fe4 N24 O28 S24 -","4","0.5","","Yan Z. Voloshin; Oleg A. Varzatskii; Tatyana E. Kron; Vitaly K. Belsky; Valery E. Zavodnik; Nataly G. Strizhakova; Alexey V. Palchik","Triribbed-Functionalized Clathrochelate Iron(II) Dioximates as a New and Promising Tool To Obtain Polynucleating and Polynuclear Compounds with Improved Properties","Inorganic Chemistry","2000","39","","1907","1918","10.1021/ic990476n","","","0.71073","MoKα","","0.0289","0.0289","","0.0803","0.0803","","","","0.875","0.875","0.875","","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4321585","18.7791","0.0006","9.322","0.002","14.8669","0.0003","90","","90","","90","","2602.6","0.6","295.2","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H20 Ag2 Cl2 O8 -","- C26 H20 Ag2 Cl2 O8 -","- C104 H80 Ag8 Cl8 O32 -","4","0.5","","Ichiro Ino; Liang Ping Wu; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Ryusuke Sakai","Bridged Silver(I) Complexes of the Polycyclic Aromatic Compounds Tetraphenylethylene and 1,1,4,4-Tetraphenyl-1,3-butadiene","Inorganic Chemistry","2000","39","","5430","5436","10.1021/ic000263u","","","0.7107","MoKα","","","0.0586","","","","0.1896","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321857","10.175","0.002","20.834","0.003","23.765","0.004","90","0.01","90","0.02","90","0.02","5037.8","1.5","293","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C54 H68 N8 Ni O5 -","- C54 H68 N8 Ni O5 -","- C216 H272 N32 Ni4 O20 -","4","0.5","","Apurba Kumar Patra; Rabindranath Mukherjee","Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity","Inorganic Chemistry","1999","38","","1388","1393","10.1021/ic980672e","","","0.71073","MoK-alpha","","0.212","0.069","","0.058","0.044","","","","1.407","1.99","1.99","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4322046","12.673","0.001","14.138","0.002","23.89","0.003","90","","90","","90","","4280.4","0.9","173","2","173","2","","","","","","","synthesis","6","P c c n","-P 2ab 2ac","56","","","","- C44 H40 Cl2 N12 Ni3 O -","- C44 H32 Cl2 N12 Ni3 O -","- C176 H128 Cl8 N48 Ni12 O4 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual; Xiaoping Wang","Further Study of the Linear Trinickel(II) Complex of Dipyridylamide","Inorganic Chemistry","1999","38","","2655","2657","10.1021/ic990006t","","","0.71073","MoKα","","0.1066","0.0463","","0.1306","0.1101","","","","1.09","1.171","1.171","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322464","20.1567","0.0004","25.8617","0.0005","17.3173","0.0004","90","","90","","90","","9027.3","0.3","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C48 H50 Cs D12 O6 P -","- C48 H50 Cs D6 O6 P -","- C384 H400 Cs8 D48 O48 P8 -","8","1","","Gerd W. Rabe; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold","Highly Restricted Dimensionality in Cesium Aryl Phosphides","Inorganic Chemistry","1999","38","","4342","4346","10.1021/ic9902119","","","0.71073","MoKα","","0.1482","0.0934","","","0.2185","0.2596","","","","","","1.593","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4323827","17.478","0.009","18.795","0.008","13.888","0.006","90","","90","","90","","4562","4","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","[Cu2bbpen2](ClO4)2","","","- C41 H50 Cl2 Cu2 N8 O13 -","- C41 H50 Cl2 Cu2 N8 O13 -","- C164 H200 Cl8 Cu8 N32 O52 -","4","0.5","","Frank Zippel; Friedhelm Ahlers; Rüdiger Werner; Wolfgang Haase; Hans-Friedrich Nolting; Bernt Krebs","Structural and Functional Models for the Dinuclear Copper Active Site in Catechol Oxidases: Syntheses, X-ray Crystal Structures, Magnetic and Spectral Properties, and X-ray Absorption Spectroscopic Studies in Solid State and in Solution","Inorganic Chemistry","1996","35","","3409","3419","10.1021/ic9513604","","","0.71073","MoKα","","0.1566","0.0651","","0.1814","0.1472","","","","0.807","1.178","1.178","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4324098","6.302","0.0013","7.6219","0.0015","8.8799","0.0018","90","","90","","90","","426.53","0.15","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- Co H4 N2 O4 S -","- Co H4 N2 O4 S -","- Co4 H16 N8 O16 S4 -","4","0.5","","Li-Hui Jia; Ru-Yin Li; Zhi-Ming Duan; Shang-Da Jiang; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine","Inorganic Chemistry","2011","50","","144","154","10.1021/ic101488k","","","0.71073","MoKα","","0.0218","0.0183","","","0.0503","0.0515","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324099","6.4122","0.0013","7.8799","0.0016","9.0745","0.0018","90","","90","","90","","458.51","0.16","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- H4 Mn N2 O4 S -","- H4 Mn N2 O4 S -","- H16 Mn4 N8 O16 S4 -","4","0.5","","Li-Hui Jia; Ru-Yin Li; Zhi-Ming Duan; Shang-Da Jiang; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine","Inorganic Chemistry","2011","50","","144","154","10.1021/ic101488k","","","0.71073","MoKα","","0.0375","0.0273","","","0.0755","0.0777","","","","","","1.066","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324549","13.3414","0.0009","8.6998","0.0006","12.881","0.0005","90","","90","","90","","1495.07","0.16","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H14 N2 O13 Th -","- C10 H14 N2 O13 Th -","- C40 H56 N8 O52 Th4 -","4","0.5","","Pierre Thuéry","Solid State Structure of Thorium(IV) Complexes with Common Aminopolycarboxylate Ligands","Inorganic Chemistry","2011","50","","1898","1904","10.1021/ic102359q","","","0.71073","MoKα","","0.0319","0.0229","","","0.0535","0.0566","","","","","","1.066","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324663","22.522","0.004","14.455","0.003","17.979","0.003","90","","90","","90","","5853.2","1.9","100","","273","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C47 H92 Fe3 N14 Si4 -","- C47 H92 Fe3 N14 Si4 -","- C188 H368 Fe12 N56 Si16 -","4","0.5","","Scott A. Sulway; David Collison; Joseph J. W. McDouall; Floriana Tuna; Richard A. Layfield","Iron(II) Cage Complexes of N-Heterocyclic Amide and Bis(trimethylsilyl)amide Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","2521","2526","10.1021/ic102341a","","","1.54178","Synchrotron","","0.0448","0.0386","","","0.0893","0.0972","","","","","","1.139","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4325091","19.663","0.001","27.646","0.0011","15.285","0.0006","90","","90","","90","","8309","0.6","133","2","133","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H59 Cl3 N2 O2 Ti -","- C40 H59 Cl3 N2 O2 Ti -","- C320 H472 Cl24 N16 O16 Ti8 -","8","1","","Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe","Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands","Inorganic Chemistry","2011","50","","4598","4606","10.1021/ic200318h","","","0.71069","MoKα","","0.1001","0.0635","","","0.1617","0.1772","","","","","","1.046","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325152","18.1425","0.0004","23.7058","0.0006","31.4413","0.0006","90","","90","","90","","13522.4","0.5","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","tris(tritertbutylphosphino)-tetrakis(copper-phenyltellurolate)","tris(μ~3~-phenyltellurido)-(μ~2~-phenyltellurido) -tris(tritertbutylphosphine)-tetra-copper and tetrakis(μ~3~-phenyltellurido)-tris(tritertbutylphosphine)-tetra-copper","","- C60 H101 Cu4 P3 Te4 -","- C60 H101 Cu4 P3 Te4 -","- C480 H808 Cu32 P24 Te32 -","8","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0507","0.0323","","","0.0783","0.0857","","","","","","0.971","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4326025","30.4955","0.0019","30.6288","0.0015","9.5047","0.0004","90","","90","","90","","8877.8","0.8","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C41 H65.5 Cl4 N4 O0.75 Ru2 -","- C38 H58 Cl4 N4 Ru2 -","- C304 H464 Cl32 N32 Ru16 -","8","1","","Laszlo Mercs; Antonia Neels; Helen Stoeckli-Evans; Martin Albrecht","Probing Intermetallic Coupling in Dinuclear N-Heterocyclic Carbene Ruthenium(II) Complexes","Inorganic Chemistry","2011","50","","8188","8196","10.1021/ic200651h","","","0.71073","MoKα","","0.1113","0.0886","","","0.2374","0.2582","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326414","15.649","0.002","18.162","0.003","14.358","0.002","90","","90","","90","","4080.8","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H28 O38 Th6 -","- C12 H12 O38 Th6 -","- C48 H48 O152 Th24 -","4","0.5","","Karah E. Knope; Richard E. Wilson; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV) Molecular Clusters with a Hexanuclear Th Core","Inorganic Chemistry","2011","50","","9696","9704","10.1021/ic2014946","","","0.71073","MoKα","","0.0892","0.0601","","","0.1484","0.1591","","","","","","1.079","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326474","13.9235","0.0005","39.2078","0.0018","18.1192","0.0005","90","","90","","90","","9891.4","0.6","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C51 H41 Ag Cd O4 P2 S6 -","- C51 H41 Ag Cd O4 P2 S6 -","- C408 H328 Ag8 Cd8 O32 P16 S48 -","8","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.1556","0.0991","","","0.2159","0.2343","","","","","","1.045","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326862","25.4057","0.0017","8.82517","0.00051","7.27564","0.00058","90","","90","","90","","1631.27","0.19","298","","298","","","","","","","","synthesis","4","P c c n","-P 2ab 2ac","56","","","","- C18 H20 N4 Zn -","- C18 H20 N4 Zn -","- C72 H80 N16 Zn4 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Norberto Masciocchi; Simona Galli; Fabio Marchetti; Mariglen Angjellari","Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals","Inorganic Chemistry","2011","50","","11506","11513","10.1021/ic2013705","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326863","25.2965","0.0037","8.81507","0.00092","7.3272","0.0011","90","","90","","90","","1633.9","0.4","298","","298","","","","","","","","synthesis","4","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Co N4 -","- C18 H20 Co N4 -","- C72 H80 Co4 N16 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Norberto Masciocchi; Simona Galli; Fabio Marchetti; Mariglen Angjellari","Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals","Inorganic Chemistry","2011","50","","11506","11513","10.1021/ic2013705","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326864","25.91916","0.00065","8.63028","0.0003","7.67202","0.00033","90","","90","","90","","1716.15","0.1","298","","298","","","","","","","","synthesis","4","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Cd N4 -","- C18 H20 Cd N4 -","- C72 H80 Cd4 N16 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Norberto Masciocchi; Simona Galli; Fabio Marchetti; Mariglen Angjellari","Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals","Inorganic Chemistry","2011","50","","11506","11513","10.1021/ic2013705","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328130","11.9383","0.0012","21.693","0.002","11.3849","0.0011","90","","90","","90","","2948.4","0.5","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H30 F12 N2 P2 Pd S6 -","- C16 H30 F12 N2 P2 Pd S6 -","- C64 H120 F48 N8 P8 Pd4 S24 -","4","0.5","","Emma Stephen; Alexander J. Blake; Emma Carter; David Collison; E. Stephen Davies; Ruth Edge; William Lewis; Damien M. Murphy; Claire Wilson; Robert O. Gould; Alan J. Holder; Jonathan McMaster; Martin Schröder","Redox Non-innocence of Thioether Crowns: Elucidation of the Electronic Structure of the Mononuclear Pd(III) Complexes [Pd([9]aneS~3~)~2~]^3+^ and [Pd([18]aneS~6~)]^3+^","Inorganic Chemistry","2012","51","","1450","1461","10.1021/ic2017006","","","0.71073","MoKα","","0.0469","0.0431","","","0.1062","0.1089","","","","","","1.122","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4330010","15.7855","0.0018","29.275","0.003","8.7622","0.001","90","","90","","90","","4049.2","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H36 N2 O9 Zn2 -","- C36 H34 N2 O9 Zn2 -","- C144 H136 N8 O36 Zn8 -","4","0.5","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.1046","0.0665","","","0.2071","0.2258","","","","","","1.043","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330102","17.889","0.002","11.8653","0.0013","16.562","0.002","90","","90","","90","","3515.4","0.7","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","04051","","","- C34 H60 Co K N2 O6 -","- C34 H60 Co K N2 O6 -","- C136 H240 Co4 K4 N8 O24 -","4","0.5","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0635","0.0424","","","0.0752","0.0815","","","","","","1.024","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330146","28.923","0.005","13.373","0.005","9.993","0.005","90","","90","","90","","3865","3","243","2","243","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H17 Cu N3 O7 -","- C17 H17 Cu N3 O7 -","- C136 H136 Cu8 N24 O56 -","8","1","","Prakash Kanoo; Ryotaro Matsuda; Ryo Kitaura; Susumu Kitagawa; Tapas Kumar Maji","Topological Difference in 2D Layers Steers the Formation of Rigid and Flexible 3D Supramolecular Isomers: Impact on the Adsorption Properties","Inorganic Chemistry","2012","51","","9141","9143","10.1021/ic300695v","","","0.71069","MoKα","","0.1209","0.0818","","","0.1859","0.2168","","","","","","1.126","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330312","25.448","0.004","13.497","0.002","14.724","0.002","90","","90","","90","","5057.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","1.L1","","","- C48 H52 Mg N14 O8 -","- C48 H52 Mg N14 O8 -","- C192 H208 Mg4 N56 O32 -","4","0.5","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands","Inorganic Chemistry","2012","51","","9666","9676","10.1021/ic300826p","","","0.71073","MoKα","","0.1119","0.0751","","","0.1836","0.2102","","","","","","1.036","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330570","15.1048","0.0003","24.1782","0.0005","7.1984","0.0001","90","","90","","90","","2628.91","0.08","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H8 N3 Pd Tl -","- C15 H8 N3 Pd Tl -","- C120 H64 N24 Pd8 Tl8 -","8","1","","Violeta Sicilia; Juan Forniés; Sara Fuertes; Antonio Martín","New Dicyano Cyclometalated Compounds Containing Pd(II)-Tl(I) Bonds as Building Blocks in 2D Extended Structures: Synthesis, Structure, and Luminescence Studies","Inorganic Chemistry","2012","51","","10581","10589","10.1021/ic300808z","","","0.71073","MoKα","","0.0246","0.0199","","","0.0491","0.0504","","","","","","1.059","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330668","15.471","0.0008","20.2116","0.001","14.673","0.0008","90","","90","","90","","4588.2","0.4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Br Cu N4 O2 S -","- C22 H26 Br Cu N4 O2 S -","- C176 H208 Br8 Cu8 N32 O16 S8 -","8","1","","Santosh K. Sahoo; Nilufa Khatun; Himanshu Sekhar Jena; Bhisma K. Patel","Stable Cu(I) Complexes with Thioamidoguanidine Possessing Halide-Bridge Structure","Inorganic Chemistry","2012","51","","10800","10807","10.1021/ic301429g","","","0.71073","MoKα","","0.0557","0.0453","","","0.1315","0.1354","","","","","","1.071","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330920","12.3916","0.0015","17.744","0.002","24.391","0.003","90","","90","","90","","5363","1.1","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H76 N4 P2 -","- C52 H76 N4 P2 -","- C208 H304 N16 P8 -","4","0.5","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.0929","0.0517","","","0.1115","0.1231","","","","","","1.031","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4331040","10.7358","0.0001","14.5102","0.0001","17.9942","0.0001","90","","90","","90","","2803.11","0.04","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Co(2,2bipy)(mes)2*THF","","- C32 H38 Co N2 O -","- C32 H38 Co N2 O -","- C128 H152 Co4 N8 O4 -","4","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0504","0.0437","","","0.125","0.1316","","","","","","1.064","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331672","6.674","0.003","10.607","0.005","11.394","0.005","90","","90","","90","","806.6","0.6","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- Ba S5 Sn2 -","- Ba S5 Sn2 -","- Ba4 S20 Sn8 -","4","0.5","","Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He","Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20","Inorganic Chemistry","2013","52","","273","279","10.1021/ic301804n","","","0.71073","MoKα","","0.0305","0.0238","","","0.0893","0.1355","","","","","","1.044","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4332134","16.599","0.002","20.47","0.003","14.3757","0.0018","90","","90","","90","","4884.6","1.1","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C18 H24 Cu3 N6 O40 P W12 -","- C18 H24 Cu3 N6 O40 P W12 -","- C72 H96 Cu12 N24 O160 P4 W48 -","4","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0679","0.0638","","","0.1435","0.1457","","","","","","1.284","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332136","16.45","0.003","20.17","0.004","14.244","0.003","90","","90","","90","","4726.1","1.6","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C18 H24 Cu3 Mo12 N6 O40 P -","- C18 H24 Cu3 Mo12 N6 O40 P -","- C72 H96 Cu12 Mo48 N24 O160 P4 -","4","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0743","0.0588","","","0.1238","0.1313","","","","","","1.064","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332142","16.81","0.003","13.98","0.003","16.714","0.003","90","","90","","90","","3927.9","1.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C26 H18 Cl6 F6 N4 O10 Ru2 S2 -","- C26 H18 Cl6 F6 N4 O10 Ru2 S2 -","- C104 H72 Cl24 F24 N16 O40 Ru8 S8 -","4","0.5","","Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.","Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes","Inorganic Chemistry","2006","45","10","4007","4015","10.1021/ic0600073","","","0.71073","MoKα","","0.0647","0.0581","","","0.1318","0.1353","","","","","","1.172","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332204","15.1025","0.0004","17.3051","0.0008","23.801","0.002","90","","90","","90","","6220.4","0.6","213","2","213","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Ni2(DAniF)4,1.5CH2Cl2","","","- C61.5 H63 Cl3 N8 Ni2 O8 -","- C61.5 H63 Cl3 N8 Ni2 O8 -","- C246 H252 Cl12 N32 Ni8 O32 -","4","0.5","","Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping","Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species","Inorganic Chemistry","2006","45","11","4396","4406","10.1021/ic060125q","","","0.71073","MoKα","","0.0906","0.0649","","","0.1538","0.1692","","","","","","1.125","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332561","10.1034","0.0007","25.155","0.0016","9.104","0.0006","90","","90","","90","","2313.8","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6.5 H10 N O6 P2 Zn1.5 -","- C6.5 H10 N O6 P2 Zn1.5 -","- C52 H80 N8 O48 P16 Zn12 -","8","1","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.0341","0.0322","","","0.115","0.1172","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332563","9.622","0.0014","24.389","0.004","8.459","0.0011","90","","90","","90","","1985.1","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H22 N2 O9 P2 Zn2 -","- C13 H22 N2 O9 P2 Zn2 -","- C52 H88 N8 O36 P8 Zn8 -","4","0.5","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.0448","0.031","","","0.0708","0.0729","","","","","","0.956","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332824","27.745","0.002","16.1583","0.0012","22.8192","0.0018","90","","90","","90","","10230.1","1.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H33 Mo6 N4 Ni1.5 O35 P4 -","- C20 H16 Mo6 N4 Ni1.5 O34 P4 -","- C160 H128 Mo48 N32 Ni12 O272 P32 -","8","1","","Chang, Wen-Jung; Jiang, Yau-Chen; Wang, Sue-Lein; Lii, Kwang-Hwa","Hydrothermal Synthesis of a Three-Dimensional Organic−Inorganic Hybrid Network Formed by Poly(oxomolybdophosphate) Anions and Nickel Coordination Cations","Inorganic Chemistry","2006","45","17","6586","6588","10.1021/ic060911v","","","0.71073","MoKα","","0.0525","0.0414","","","0.1498","0.1568","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333240","5.6286","0.0007","13.1374","0.0016","17.198","0.002","90","","90","","90","","1271.7","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H10 Cl N7 O4 -","- C8 H10 Cl N7 O4 -","- C32 H40 Cl4 N28 O16 -","4","0.5","","Zheng, Ling-Ling; Zhang, Wei-Xiong; Qin, Lian-Jing; Leng, Ji-Dong; Lu, Jun-Xian; Tong, Ming-Liang","Isolation of a Pentadentate Ligand and Stepwise Synthesis, Structures, and Magnetic Properties of a New Family of Homo- and Heterotrinuclear Complexes","Inorganic Chemistry","2007","46","23","9548","9557","10.1021/ic070343z","","","0.71073","MoKα","","0.0775","0.0683","","","0.1732","0.1805","","","","","","1.067","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333268","15.9821","0.0004","16.3139","0.0004","26.9285","0.0006","90","","90","","90","","7021.1","0.3","141","2","141","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H36 F10 N2 U -","- C36 H36 F10 N2 U -","- C288 H288 F80 N16 U8 -","8","1","","Schelter, Eric J.; Yang, Ping; Scott, Brian L.; Thompson, J. D.; Martin, Richard L.; Hay, P. Jeffrey; Morris, David E.; Kiplinger, Jaqueline L.","Systematic Studies of Early Actinide Complexes: Uranium(IV) Fluoroketimides","Inorganic Chemistry","2007","46","18","7477","7488","10.1021/ic700455b","","","0.71073","MoKα","","0.0544","0.0318","","","0.0931","0.1002","","","","","","1.559","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333712","8.6961","0.0003","30.2919","0.0011","23.9712","0.0009","90","","90","","90","","6314.5","0.4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C21 H46 B2 K O2 P Si2 -","- C21 H46 B2 K O2 P Si2 -","- C168 H368 B16 K8 O16 P8 Si16 -","8","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.71073","MoKα","","0.0802","0.0512","","","0.1327","0.1397","","","","","","0.987","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333751","21.8064","0.0011","23.8797","0.0013","26.3457","0.0014","90","","90","","90","","13719","1.3","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C130 H130 Dy5 Mn4 N23 O38 -","- C104 H72 Dy5 Mn4 N12 O38 -","- C416 H288 Dy20 Mn16 N48 O152 -","4","0.5","","Dimitris I. Alexandropoulos; Tu N. Nguyen; Luís Cunha-Silva; Theodoros F. Zafiropoulos; Albert Escuer; George Christou; Theocharis C. Stamatatos","Slow Magnetization Relaxation in Unprecedented MnIII4DyIII3 and MnIII4DyIII5 Clusters from the Use of N-Salicylidene-o-aminophenol","Inorganic Chemistry","2013","52","","1179","1181","10.1021/ic302505p","","","0.71073","MoKα","","0.0611","0.0364","","","0.0848","0.091","","","","","","0.943","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333760","20.198","0.004","25.05","0.005","16.714","0.004","90","","90","","90","","8457","3","200","2","200","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H34 B Cl5 N8 P2 Ru -","- C42 H34 B Cl5 N8 P2 Ru -","- C336 H272 B8 Cl40 N64 P16 Ru8 -","8","1","","Carmen Harb; Pavel Kravtsov; Mohommad Choudhuri; Eric R. Sirianni; Glenn P. A. Yap; A. B. P. Lever; Robert J. Crutchley","Phenylcyanamidoruthenium Scorpionate Complexes","Inorganic Chemistry","2013","52","","1621","1630","10.1021/ic302535h","","","0.71073","MoKα","","0.1428","0.0573","","","0.0914","0.1159","","","","","","1.001","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4334184","21.111","0.003","13.118","0.002","20.256","0.002","90","","90","","90","","5609.6","1.3","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H76 Al2 N4 O Se2 -","- C60 H76 Al2 N4 O Se2 -","- C240 H304 Al8 N16 O4 Se8 -","4","0.5","","Sandra González-Gallardo; Aracely S. Cruz-Zavala; Vojtech Jancik; Fernando Cortés-Guzmán; Mónica Moya-Cabrera","Preparation of Telluro- and Selenoalumoxanes under Mild Conditions","Inorganic Chemistry","2013","52","","2793","2795","10.1021/ic302588f","","","0.71073","MoKα","","0.0612","0.0416","","","0.0965","0.1058","","","","","","1.039","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334262","16.4128","0.0006","23.8916","0.0006","19.7838","0.0006","90","","90","","90","","7757.8","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[Eu(CyMe4-BTBP)2(NO3)](NO3)2.4EtOH.2H2O","","- C72 H104 Eu N19 O15 -","- C72 H100 Eu N19 O15 -","- C288 H400 Eu4 N76 O60 -","4","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.1291","0.1158","","","0.2577","0.2628","","","","","","1.333","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334523","10.6032","0.0007","12.5912","0.001","15.8418","0.0015","90","","90","","90","","2115","0.3","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H16 Mo2 N4 O4 S4 -","- C16 H16 Mo2 N4 O4 S4 -","- C64 H64 Mo8 N16 O16 S16 -","4","0.5","","Brian S. Dolinar; John F. Berry","Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes","Inorganic Chemistry","2013","52","","4658","4667","10.1021/ic400275x","","x-ray","1.54178","CuKα","K-L~3~","0.0281","0.0271","","","0.0733","0.0741","","","","","","1.115","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4335343","7.6021","0.0005","33.502","0.002","20.6974","0.0012","90","","90","","90","","5271.3","0.6","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","[(9-(2'-oxy-3'-methylthio-5'-tert-butylphenyl)-6-methylthio-3-acetyl-5,7,8- triazanona-3,6,8-trienato(-)-2'-olato(-) kappaO,kappaO',kappaN^5^, kappaN^8^) nickel(II)] pentan-2,4-dione solvate","","- C22.5 H29 N3 Ni O4 S2 -","- C22.5 H29 N3 Ni O4 S2 -","- C180 H232 N24 Ni8 O32 S16 -","8","1","","Vladimir B. Arion; Sonja Platzer; Peter Rapta; Peter Machata; Martin Breza; Daniel Vegh; Lothar Dunsch; Joshua Telser; Sergiu Shova; Tatiana C.O. Mac Leod; Armando J.L. Pombeiro","Marked Stabilization of Redox States and Enhanced Catalytic Activity in Galactose Oxidase Models Based on Transition Metal S-Methylisothiosemicarbazonates with -SR Group in Ortho Position to the Phenolic Oxygen","Inorganic Chemistry","2013","52","","7524","7540","10.1021/ic4004966","","","0.71073","MoKα","","0.0905","0.0812","","","0.2256","0.2314","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336703","11.3059","0.0017","18.656","0.002","23.199","0.003","90","0.009","90","0.011","90","0.011","4893.2","1.1","208","2","208","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C50 H44 Cl2 N6 O12 Zn4 -","- C50 H44 Cl2 N6 O12 Zn4 -","- C200 H176 Cl8 N24 O48 Zn16 -","4","0.5","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.0939","0.0872","","0.1948","0.1912","0.1948","","","1.157","","","1.157","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4337210","7.1614","0.0004","7.1614","0.0004","19.0269","0.0015","90","","90","","90","","975.81","0.11","140","2","140","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0253","0.0252","","","0.0679","0.0679","","","","","","1.346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337211","7.151","0.0004","7.151","0.0004","19.0089","0.0011","90","","90","","90","","972.05","0.1","109","2","109","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0241","0.024","","","0.0617","0.0617","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337212","7.192","0.002","7.192","0.002","19.094","0.009","90","","90","","90","","987.6","0.6","223","2","223","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0446","0.0414","","","0.1157","0.1192","","","","","","1.359","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337214","7.156","0.003","7.156","0.003","19.041","0.009","90","","90","","90","","975.1","0.7","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0323","0.0306","","","0.0748","0.0757","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337215","7.204","0.003","7.204","0.003","19.126","0.012","90","","90","","90","","992.6","0.9","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0608","0.0501","","","0.1275","0.1361","","","","","","1.254","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337216","7.1561","0.0007","7.1561","0.0007","19.05","0.003","90","","90","","90","","975.5","0.2","105","2","105","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0164","0.0156","","","0.0425","0.0464","","","","","","1.338","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337217","7.1765","0.0018","7.2058","0.0018","19.127","0.005","90","","90","","90","","989.1","0.4","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0483","0.0433","","","0.0837","0.0871","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337218","7.1686","0.0007","7.1686","0.0007","19.062","0.003","90","","90","","90","","979.6","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0188","0.0179","","","0.0486","0.0513","","","","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337219","7.2099","0.0018","7.2099","0.0018","19.19","0.007","90","","90","","90","","997.5","0.5","300","2","300","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0597","0.0519","","","0.1249","0.1315","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337221","7.1798","0.0007","7.1798","0.0007","19.09","0.003","90","","90","","90","","984.1","0.2","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0219","0.0211","","","0.0595","0.0613","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337222","7.1902","0.0014","7.1902","0.0014","19.1","0.005","90","","90","","90","","987.5","0.4","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0351","0.0343","","","0.0837","0.0843","","","","","","1.522","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337223","7.198","0.004","7.198","0.004","19.144","0.01","90","","90","","90","","991.9","0.9","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0364","0.0345","","","0.0826","0.0839","","","","","","1.408","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337224","7.198","0.002","7.198","0.002","19.148","0.008","90","","90","","90","","992.1","0.6","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C0.5 H3 Cl Fe0.25 N0.5 -","- C4 H24 Cl8 Fe2 N4 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0571","0.0533","","","0.1085","0.1112","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337225","7.1809","0.0015","7.1809","0.0015","19.083","0.006","90","","90","","90","","984","0.4","130","2","130","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0318","0.031","","","0.0718","0.0726","","","","","","1.475","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337226","7.169","0.002","7.169","0.002","19.064","0.006","90","","90","","90","","979.8","0.5","105","2","105","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0283","0.0275","","","0.0633","0.0642","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337227","7.164","0.002","7.164","0.002","19.045","0.007","90","","90","","90","","977.4","0.5","130","2","130","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C4 H24 Cl8 Fe2 N4 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0241","0.0226","","","0.0563","0.0582","","","","","","1.453","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337228","7.1764","0.0015","7.2095","0.0015","19.128","0.004","90","","90","","90","","989.6","0.4","253","2","253","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0503","0.0394","","","0.0761","0.0814","","","","","","1.172","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337230","7.199","0.002","7.199","0.002","19.169","0.006","90","","90","","90","","993.4","0.5","310","2","310","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C4 H24 Cl8 Fe2 N4 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0459","0.0301","","","0.0625","0.0695","","","","","","1.134","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337231","7.1804","0.0016","7.1804","0.0016","19.085","0.004","90","","90","","90","","984","0.4","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0271","0.0261","","","0.0911","0.0935","","","","","","1.342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337321","14.531","0.002","21.96","0.002","9.8361","0.0014","90","","90","","90","","3138.7","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H14 N6 O3 Zn -","- C13 H14 N6 O3 Zn -","- C104 H112 N48 O24 Zn8 -","8","1","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.09","0.0546","","","0.1346","0.1533","","","","","","1.008","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337807","21.028","0.006","10.415","0.003","13.294","0.004","90","","90","","90","","2911.5","1.5","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- B5 Cs O8 -","- B5 Cs O8 -","- B80 Cs16 O128 -","16","2","","Jiao, Anqing; Yu, Hongwei; Wu, Hongping; Pan, Shilie; Zhang, Xingwen","A New Cesium Pentaborate with New B10O19 Building Blocks.","Inorganic chemistry","2014","53","5","2358","2360","10.1021/ic403070b","","","0.71073","MoKα","","0.0306","0.0211","","","0.0496","0.0558","","","","","","1.042","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4338000","18.685","0.003","10.6119","0.0012","12.2994","0.0016","90","","90","","90","","2438.8","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","LiN(C6F5)(C4F9)","Lithium-(pentafluorophenyl)(nonafluoro-tert-butyl)amide","","- C10 F14 Li N -","- C10 F14 Li N -","- C80 F112 Li8 N8 -","8","1","","Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg","The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.","Inorganic chemistry","2014","53","7","3839","","10.1021/ic5001717","","","0.71073","MoKα","","0.1777","0.0417","","","0.054","0.0727","","","","","","0.488","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338815","23.6139","0.0013","7.5944","0.0004","7.6259","0.0004","90","","90","","90","","1367.58","0.13","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Karunadasa, Hemamala I.","Lithium cycling in a self-assembled copper chloride-polyether hybrid electrode.","Inorganic chemistry","2014","53","13","6494","6496","10.1021/ic500860t","","","0.71073","MoKα","","0.0543","0.028","","","","0.0661","","","","","","1.0936","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338866","31.1991","0.0013","32.9655","0.0013","28.3521","0.0011","90","","90","","90","","29160","2","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C138 H192 B2 Cl4 Fe4 N8 Si8 U2 -","- C138 H192 B2 Cl4 Fe4 N8 Si8 U2 -","- C1104 H1536 B16 Cl32 Fe32 N64 Si64 U16 -","8","1","","Monreal, Marisa J.; Carver, Colin T.; Diaconescu, Paula L.","Redox processes in a uranium bis(1,1'-diamidoferrocene) complex.","Inorganic chemistry","2007","46","18","7226","7228","10.1021/ic700457h","","","0.71073","MoKα","","0.0599","0.0346","","","0.0865","0.0927","","","","","","1.163","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338993","18.1943","0.0003","9.3573","0.0001","10.0465","0.0001","90","","90","","90","","1710.41","0.04","300","","300","","","","","","","","","9","P c c n","-P 2ab 2ac","56","","Nickel diruthenium(II,III) tetracarbonate","","- C4 H8 Ni O16 Ru2 en lv so t -","- C4 Ni O22.6384 Ru2 -","- C16 Ni4 O90.5536 Ru8 -","4","0.5","","Kennon, Bretni S.; Her, Jae-Hyuk; Stephens, Peter W.; Shum, William W.; Miller, Joel S.","Structure and magnetic ordering of KxH1-xNi(OH2)4[Ru2(CO3)4].zH2O.","Inorganic chemistry","2007","46","22","9033","9035","10.1021/ic701318q","powder diffraction","","0.696677","synchrotron","","","","","","","","","0.026","2.017","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339026","11.6733","0.0014","15.6152","0.0018","10.306","0.0012","90","","90","","90","","1878.6","0.4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","{Me2In[OCH2CH2N(Me)2]}2","compound 1 ?","","- C12 H32 In2 N2 O2 -","- C12 H32 In2 N2 O2 -","- C48 H128 In8 N8 O8 -","4","0.5","","Basharat, Siama; Carmalt, Claire J.; Barnett, Sarah A.; Tocher, Derek A.; Davies, Hywel O.","Aerosol assisted chemical vapor deposition of In2O3 films from Me3In and donor functionalized alcohols.","Inorganic chemistry","2007","46","22","9473","9480","10.1021/ic701372b","","","0.71073","MoKα","","0.0232","0.0201","","","0.0453","0.0466","","","","","","1.112","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4339044","32.425","0.003","25.599","0.003","10.507","0.001","90","","90","","90","","8721.3","1.5","133.2","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C43 H57 Co N4 O3 -","- C43 H57 Co N4 O3 -","- C344 H456 Co8 N32 O24 -","8","1","","Shimazaki, Yuichi; Kabe, Ryota; Huth, Stefan; Tani, Fumito; Naruta, Yoshinori; Yamauchi, Osamu","Formation and characterization of Co(III)-semiquinonate phenoxyl radical species.","Inorganic chemistry","2007","46","15","6083","6090","10.1021/ic700596g","","","0.7107","MoKα","","","0.0719","","","","0.213","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339155","24.854","0.001","15.37","0.001","17.733","0.001","90","","90","","90","","6774.1","0.6","223","2","223","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H23 F4 Ir N6 -","- C36 H23 F4 Ir N6 -","- C288 H184 F32 Ir8 N48 -","8","1","","Orselli, Enrico; Kottas, Gregg S.; Konradsson, Asgeir E.; Coppo, Paolo; Fröhlich, Roland; de Cola, Luisa; van Dijken, Addy; Büchel, Michael; Börner, Herbert","Blue-emitting iridium complexes with substituted 1,2,4-triazole ligands: synthesis, photophysics, and devices.","Inorganic chemistry","2007","46","26","11082","11093","10.1021/ic701110p","","","0.71073","MoKα","","0.0838","0.049","","","0.1534","0.1711","","","","","","1.057","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339225","22.067","0.003","18.186","0.002","19.244","0.003","90","","90","","90","","7722.8","1.8","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C86 H52 N18 O13 Pb2 -","- C86 H52 N18 O13 Pb2 -","- C344 H208 N72 O52 Pb8 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","Organic-acid effect on the structures of a series of lead(II) complexes.","Inorganic chemistry","2007","46","16","6542","6555","10.1021/ic700613c","","","0.71073","MoKα","","0.1222","0.0725","","","0.1585","0.1814","","","","","","1.177","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4339614","15.03","0.016","16.193","0.018","13.563","0.015","90","","90","","90","","3301","6","294","2","294","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H38 Ce N6 Ni2 O18.5 S2 -","- C20 H32 Ce N6 Ni2 O18.5 S2 -","- C80 H128 Ce4 N24 Ni8 O74 S8 -","4","0.5","","Ouyang, Yan; Zhang, Wei; Xu, Na; Xu, Gong-Feng; Liao, Dai-Zheng; Yoshimura, Kazuyoshi; Yan, Shi-Ping; Cheng, Peng","Three-dimensional 3d-4f polymers containing heterometallic rings: syntheses, structures, and magnetic properties.","Inorganic chemistry","2007","46","21","8454","8456","10.1021/ic701097k","","","0.71073","MoKα","","0.0867","0.0492","","","0.1263","0.1542","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339930","22.117","0.003","15.28","0.002","21.38","0.003","90","","90","","90","","7225.3","1.7","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C31 H44 Cu3 F3 N6 Na O8 S -","- C26 H34 Cu3 N6 Na0.5 O4 -","- C208 H272 Cu24 N48 Na4 O32 -","8","1","","Yang, Lei; Powell, Douglas R.; Klein, Eric L.; Grohmann, Andreas; Houser, Robert P.","Delocalized mixed-valence bi- and trinuclear complexes with short Cu-Cu bonds.","Inorganic chemistry","2007","46","17","6831","6833","10.1021/ic7010474","","","0.71073","MoKα","","0.0344","0.0284","","","0.0747","0.077","","","","","","1.005","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340826","17.8597","0.0012","18.7052","0.0012","16.6577","0.0011","90","","90","","90","","5564.8","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(1,2-bis(diphenylphosphino)ethane)bis(1,2-bis(4-methoxyphenyl) ethene-1,2-dithiolato)platinum(IV)","","- C58 H52 O4 P2 Pt S4 -","- C58 H52 O4 P2 Pt S4 -","- C232 H208 O16 P8 Pt4 S16 -","4","0.5","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0322","0.0236","","","0.0538","0.0566","","","","","","1.091","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4341020","8.3695","0.0002","13.419","0.0003","16.9609","0.0004","90","","90","","90","","1904.88","0.08","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- Cl13 P U2 -","- Cl13 P U2 -","- Cl52 P4 U8 -","4","0.5","","Ward, Matthew D.; Chan, Ian Y.; Lebègue, Sébastien; Ibers, James A.","The synthesis and characterization of four new uranium(IV) chlorophosphates: UCl₄(POCl₃), [U₂Cl₉][PCl₄], UCl₃(PO₂Cl₂), and U₂Cl₈(POCl₃).","Inorganic chemistry","2014","53","18","9969","9975","10.1021/ic501781h","","","0.71073","MoKα","","0.0425","0.0268","","","0.0508","0.0542","","","","","","1.235","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341178","10.2046","0.0008","15.402","0.0012","20.5009","0.0016","90","","90","","90","","3222.2","0.4","123","","123","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C40 H37 N3 O4 -","- C40 H37 N3 O4 -","- C160 H148 N12 O16 -","4","0.5","","Bonn, Annabell G.; Neuburger, Markus; Wenger, Oliver S.","Photoinduced electron transfer in rhenium(i)-oligotriarylamine molecules.","Inorganic chemistry","2014","53","20","11075","11085","10.1021/ic501620g","","","1.54178","CuKα","","0.0349","0.0349","","0.0384","0.0383","0.0383","","","","","","1.0472","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341314","12.3267","0.0009","13.7288","0.001","16.0229","0.0013","90","","90","","90","","2711.6","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C9 H19 Br2 Fe N O1.5 -","- C9 H19 Br2 Fe N O1.5 -","- C72 H152 Br16 Fe8 N8 O12 -","8","1","","Nguyen, Thuy-Ai D; Wright, Ashley M.; Page, Joshua S.; Wu, Guang; Hayton, Trevor W.","Oxidation of Alcohols and Activated Alkanes with Lewis Acid-Activated TEMPO.","Inorganic chemistry","2014","53","21","11377","11387","10.1021/ic5018888","","","0.71073","MoKα","","0.0551","0.0315","","","0.0663","0.0734","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341560","16.317","0.002","10.4544","0.001","10.8874","0.001","90","","90","","90","","1857.2","0.3","298","0.2","298","0.2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- Na2 O9 Te4 -","- Na2 O9 Te4 -","- Na16 O72 Te32 -","8","1","","Lee, Dong Woo; Ok, Kang Min","New Polymorphs of Ternary Sodium Tellurium Oxides: Hydrothermal Synthesis, Structure Determination, and Characterization of β-Na2Te4O9 and Na2Te2O6·1.5H2O.","Inorganic chemistry","2014","53","19","10642","10648","10.1021/ic501739u","","","0.71073","MoKα","","0.0378","0.0229","","","0.0461","0.0489","","","","","","0.928","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341905","24.9961","0.0009","53.3317","0.0019","14.3169","0.0005","90","","90","","90","","19085.6","1.2","291","2","291","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C94 H58 Cl2 F21 Ir3 N18 O -","- C94 H58 Cl2 F21 Ir3 N18 O -","- C752 H464 Cl16 F168 Ir24 N144 O8 -","8","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0532","0.0428","","","0.1076","0.1085","","","","","","1.021","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4342225","11.3296","0.0008","15.2139","0.0015","26.28","0.003","90","","90","","90","","4529.8","0.8","100","2","100","2","","","","","","","toluene","7","P c c n","-P 2ab 2ac","56","","","","- C59.41 H47 Cl1.59 N2 O0.41 P2 Ru -","- C59.412 H47 Cl1.588 N2 O0.412 P2 Ru -","- C237.648 H188 Cl6.352 N8 O1.648 P8 Ru4 -","4","0.5","","Maity, Suvendu; Kundu, Suman; Saha Roy, Amit; Weyhermüller, Thomas; Ghosh, Prasanta","Orthometalation of Dibenzo[1,2]quinoxaline with Ruthenium(II/III), Osmium(II/III/IV), and Rhodium(III) Ions and Orthometalated [RuNO](6/7) Derivatives.","Inorganic chemistry","2015","54","4","1384","1394","10.1021/ic502320m","","","0.71073","MoKα","","0.0791","0.0575","","","0.1315","0.1424","","","","","","1.232","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342276","15.59","0.0002","17.6069","0.0003","22.2395","0.0003","90","","90","","90","","6104.56","0.15","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C62 H92 K2 N6 O2 Si -","- C62 H92 K2 N6 O2 Si -","- C248 H368 K8 N24 O8 Si4 -","4","0.5","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","1.54178","CuKα","","0.052","0.0475","","","0.1318","0.1384","","","","","","1.032","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342277","15.7413","0.0005","16.9705","0.0005","23.123","0.0007","90","","90","","90","","6177","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C68 H88 K2 N6 Si -","- C68 H88 K2 N6 Si -","- C272 H352 K8 N24 Si4 -","4","0.5","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","0.71073","MoKα","","0.0631","0.0446","","","0.1137","0.1274","","","","","","1.019","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342619","7.224","0.005","7.284","0.005","21.677","0.015","90","","90","","90","","1140.6","1.4","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1012","0.0852","","","0.2254","0.2483","","","","","","1.075","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342622","7.263","0.003","7.31","0.003","21.739","0.008","90","","90","","90","","1154.2","0.8","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0662","0.0526","","","0.1181","0.128","","","","","","1.033","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342741","10.0539","0.001","12.7624","0.0012","22.749","0.002","90","","90","","90","","2919","0.5","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C24 H24 Cu2 N4 O16 P3 V -","- C24 H22 Cu2 N4 O16 P3 V -","- C96 H88 Cu8 N16 O64 P12 V4 -","4","0.5","","Venegas-Yazigi, Diego; Spodine, Evgenia; Saldias, Marianela; Vega, Andrés; Paredes-García, Verónica; Calvo, Rafael; Santana, Ricardo Costa de","1D Magnetic Interactions in Cu(II) Oxovanadium Phosphates (VPO), Magnetic Susceptibility, DFT, and Single-Crystal EPR.","Inorganic chemistry","2015","54","8","3805","3814","10.1021/ic503045d","","","0.71073","MoKα","","0.0276","0.0261","","","0.0772","0.0782","","","","","","1.035","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342973","22.1554","0.0005","17.0293","0.0004","17.3067","0.0003","90","","90","","90","","6529.7","0.2","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H44 Cl3 Ir3 O2 -","- C29 H44 Cl3 Ir3 O2 -","- C232 H352 Cl24 Ir24 O16 -","8","1","","Riener, Korbinian; Zimmermann, Teresa K.; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Direct Synthesis and Bonding Properties of the First μ(2)-η(2),η(2)-Allyl-Bridged Diiridium Complex.","Inorganic chemistry","2015","","","150507080818000","","10.1021/acs.inorgchem.5b00671","","x-ray","0.71073","MoKα","","0.0362","0.024","","","0.0495","0.0539","","","","","","1.028","","","","has coordinates","136757","2020-10-21","18:00:00",""
"4342995","10.1091","0.0003","19.8081","0.0006","25.7293","0.0007","90","","90","","90","","5152.1","0.3","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20.5 H23 Ag1.5 F4.5 N O6.5 S3.5 -","- C20.5 H23 Ag1.5 F4.5 N O6.5 S3.5 -","- C164 H184 Ag12 F36 N8 O52 S28 -","8","1","","Lee, Eunji; Park, Ki-Min; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","Coordination Networks of a Ditopic Macrocycle Exhibiting Anion-Controlled Dimensional Changes and Crystal-to-Crystal Anion Exchange.","Inorganic chemistry","2015","54","11","5372","5383","10.1021/acs.inorgchem.5b00422","","","0.71073","MoKα","","0.0318","0.0248","","","0.0558","0.0598","","","","","","1.011","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4342996","16.9984","0.0004","11.4948","0.0003","14.9599","0.0003","90","","90","","90","","2923.06","0.12","100","0.2","100","0.2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H26 Cl Ga N10 O12 -","- C26 H26 Cl Ga N10 O12 -","- C104 H104 Cl4 Ga4 N40 O48 -","4","0.5","","Ramogida, Caterina F.; Pan, Jinhe; Ferreira, Cara L.; Patrick, Brian O.; Rebullar, Karla; Yapp, Donald T. T.; Lin, Kuo-Shyan; Adam, Michael J.; Orvig, Chris","Nitroimidazole-Containing H2dedpa and H2CHXdedpa Derivatives as Potential PET Imaging Agents of Hypoxia with (68)Ga.","Inorganic chemistry","2015","54","10","4953","4965","10.1021/acs.inorgchem.5b00554","","","0.71073","MoKα","","0.068","0.0435","","","0.1084","0.1214","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342998","11.1729","0.0011","6.3712","0.0007","8.6929","0.0009","90","","90","","90","","618.8","0.11","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Uranyl(VI)Formohydroxamate","","","- C2 H4 N2 O6 U -","- C2 H4 N2 O6 U -","- C8 H16 N8 O24 U4 -","4","0.5","","Silver, Mark A.; Dorfner, Walter L.; Cary, Samantha K.; Cross, Justin N.; Lin, Jian; Schelter, Eric J.; Albrecht-Schmitt, Thomas E","Why is uranyl formohydroxamate red?","Inorganic chemistry","2015","54","11","5280","5284","10.1021/acs.inorgchem.5b00262","","","0.71073","MoKα","","0.0353","0.0251","","","0.0561","0.0591","","","","","","1.357","","","","has coordinates","138160","2020-10-21","18:00:00",""
"4344275","21.81","","17.91","","20.36","","90","","90","","90","","7952.96","","","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","(N H4)4 Na9 (Cu4 (H2 O)2 (Ga W9 O34)2) (H2 O)22","","- Cu4 Ga2 H64 N4 Na9 O92 W18 -","- Cu4 Ga2 N4 Na9 O92 W18 -","- Cu16 Ga8 N16 Na36 O368 W72 -","4","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.","The first sandwich-type heteropolytungstates consisting of trivacant gallium(III) substituted Keggin fragments","Inorganic Chemistry","2005","44","","1542","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345465","14.573","0.005","17.493","0.005","20.244","0.005","90","","90","","90","","5161","3","100","0.5","100","0.5","","","","","","","","5","P c c n","-P 2ab 2ac","56","holkg27","","","- C54 H70 Fe2 N4 Si -","- C54 H70 Fe2 N4 Si -","- C216 H280 Fe8 N16 Si4 -","4","0.5","","Reesbeck, Megan E.; Grubel, Katarzyna; Kim, Daniel; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Diazoalkanes in Low-Coordinate Iron Chemistry: Bimetallic Diazoalkyl and Alkylidene Complexes of Iron(II).","Inorganic chemistry","2017","56","3","1019","1022","10.1021/acs.inorgchem.6b01952","","","0.71069","MoKα","","0.0792","0.0487","","","0.1314","0.1504","","","","","","1.056","","","","has coordinates,has disorder","192988","2020-10-21","18:00:00",""
"4345551","12.561","0.001","15.5956","0.0011","23.6294","0.0013","90","","90","","90","","4628.9","0.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H61 Cl4 N2 O3 Sm -","- C39 H61 Cl4 N2 O3 Sm -","- C156 H244 Cl16 N8 O12 Sm4 -","4","0.5","","Zhao, Zhiwen; Qin, Jie; Zhang, Chen; Wang, Yaorong; Yuan, Dan; Yao, Yingming","Recyclable Single-Component Rare-Earth Metal Catalysts for Cycloaddition of CO2 and Epoxides at Atmospheric Pressure","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00107","","","0.71073","MoKα","","0.0879","0.0693","","","0.1815","0.201","","","","","","1.07","","","","has coordinates,has disorder","194550","2020-10-21","18:00:00",""
"4345552","12.5613","0.0007","15.5216","0.0008","23.5331","0.0011","90","","90","","90","","4588.3","0.4","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H61 Cl4 N2 O3 Y -","- C39 H61 Cl4 N2 O3 Y -","- C156 H244 Cl16 N8 O12 Y4 -","4","0.5","","Zhao, Zhiwen; Qin, Jie; Zhang, Chen; Wang, Yaorong; Yuan, Dan; Yao, Yingming","Recyclable Single-Component Rare-Earth Metal Catalysts for Cycloaddition of CO2 and Epoxides at Atmospheric Pressure","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00107","","","0.71073","MoKα","","0.1233","0.0655","","","0.1474","0.1675","","","","","","1.001","","","","has coordinates,has disorder","194550","2020-10-21","18:00:00",""
"4345869","14.178","0.003","14.47","0.003","18.385","0.003","90","","90","","90","","3771.8","1.3","240","","240","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H28 Mn3 N10 O5 -","- C38 H28 Mn3 N10 O5 -","- C152 H112 Mn12 N40 O20 -","4","0.5","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.0977","0.0704","","","0.1383","0.1516","","","","","","1.16","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345870","14.102","0.002","14.359","0.002","18.392","0.003","90","","90","","90","","3724.2","1","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H28 Mn3 N10 O5 -","- C38 H28 Mn3 N10 O5 -","- C152 H112 Mn12 N40 O20 -","4","0.5","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.0764","0.0556","","","0.1189","0.1299","","","","","","1.122","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4346819","12.863","0.003","15.671","0.002","18.036","0.002","90","","90","","90","","3635.6","1","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H23 Co5 N37 -","- C14 H23 Co5 N37 -","- C56 H92 Co20 N148 -","4","0.5","","Liu, Xiangyu; Qu, Xiaoni; Zhang, Sheng; Ke, Hongshan; Yang, Qi; Shi, Quan; Wei, Qing; Xie, Gang; Chen, Sanping","High-Performance Energetic Characteristics and Magnetic Properties of a Three-Dimensional Cobalt(II) Metal-Organic Framework Assembled with Azido and Triazole.","Inorganic chemistry","2015","54","23","11520","11525","10.1021/acs.inorgchem.5b02196","","","0.71073","MoKα","","0.039","0.035","","","0.1165","0.123","","","","","","1.034","","","","has coordinates,has disorder","232000","2020-10-21","18:00:00",""
"4346829","14.2885","0.0014","23.823","0.002","30.749","0.003","90","","90","","90","","10466.8","1.7","133","2","133","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","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","","0.1019","0.0978","","","0.2171","0.2189","","","","","","1.266","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346830","14.2624","0.0012","23.826","0.002","30.75","0.002","90","","90","","90","","10449.3","1.4","113","2","113","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","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","","0.0892","0.086","","","0.1956","0.1969","","","","","","1.371","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346831","14.2327","0.0013","23.828","0.002","30.749","0.003","90","","90","","90","","10428.1","1.6","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","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","","0.1024","0.0999","","","0.2261","0.2271","","","","","","1.32","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4347485","40.2089","0.0019","15.4803","0.0008","15.7137","0.0008","90","","90","","90","","9780.9","0.8","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H50 Bi3 Cl5 P2 -","- C48 H50 Bi3 Cl5 P2 -","- C384 H400 Bi24 Cl40 P16 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0913","0.0438","","","0.066","0.079","","","","","","1.017","","","","has coordinates","232338","2020-10-21","18:00:00",""
"4348546","9.3781","0.0018","18.8","0.004","21.954","0.005","90","","90","","90","","3870.7","1.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H30 Co O14 -","- C44 H30 Co O14 -","- C176 H120 Co4 O56 -","4","0.5","","Yan, Wei; Han, Li-Juan; Jia, Hai-Lang; Shen, Kang; Wang, Ting; Zheng, He-Gen","Three Highly Stable Cobalt MOFs Based on ""Y""-Shaped Carboxylic Acid: Synthesis and Absorption of Anionic Dyes.","Inorganic chemistry","2016","55","17","8816","8821","10.1021/acs.inorgchem.6b01328","","","0.71073","MoKα","","0.0498","0.0397","","","0.0941","0.099","","","","","","1.069","","","","has coordinates","233071","2020-10-21","18:00:00",""
"4349237","37.4447","0.001","7.347","0.0002","23.1978","0.0006","90","","90","","90","","6381.9","0.3","100","2","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H37 Cd2 N3 O17 -","- C57 H37 Cd2 N3 O17 -","- C228 H148 Cd8 N12 O68 -","4","0.5","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1553","0.1183","","","0.3186","0.3496","","","","","","1.075","","","","has coordinates","233751","2020-10-21","18:00:00",""
"4349238","40.5139","0.0015","7.2658","0.0003","18.5724","0.0008","90","","90","","90","","5467.1","0.4","100","2","100.01","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H18 Cd N2 O8 -","- C29 H18 Cd N2 O8 -","- C232 H144 Cd8 N16 O64 -","8","1","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1847","0.0891","","","0.1929","0.2357","","","","","","1.023","","","","has coordinates,has disorder","233751","2020-10-21","18:00:00",""
"4349285","17.3739","0.0016","25.063","0.003","17.1374","0.0017","90","","90","","90","","7462.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Mn2(CO)8(CNArDipp2)2","","","- C78 H94 Mn2 N2 O10 -","- C78 H94 Mn2 N2 O10 -","- C312 H376 Mn8 N8 O40 -","4","0.5","","Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.","Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.","Inorganic chemistry","2016","55","23","12400","12408","10.1021/acs.inorgchem.6b02299","","","0.71073","MoKα","","0.1197","0.0486","","","0.0894","0.1151","","","","","","1.031","","","","has coordinates,has disorder","233814","2020-10-21","18:00:00",""
"4349308","30.9305","0.0018","35.941","0.002","7.0749","0.0004","90","","90","","90","","7865","0.8","90","2","90.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H18 Ga N3 O9 -","- C16 H18 Ga N3 O9 -","- C256 H288 Ga16 N48 O144 -","16","2","","Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris","Dipicolinate Complexes of Gallium(III) and Lanthanum(III).","Inorganic chemistry","2016","55","24","12544","12558","10.1021/acs.inorgchem.6b02357","","","0.71073","MoKα","","0.12","0.0882","","","0.1657","0.1751","","","","","","1.147","","","","has coordinates","233839","2020-10-21","18:00:00",""
"4349872","30.427","0.006","18.048","0.004","23.107","0.004","90","","90","","90","","12689","4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H22 Cl6 Ho2 N3 O20 P3 -","- C42 H22 Cl6 Ho2 N3 O20 P3 -","- C336 H176 Cl48 Ho16 N24 O160 P24 -","8","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.1004","0.0775","","","0.2602","0.2794","","","","","","1.15","","","","has coordinates","236909","2020-10-21","18:00:00",""
"4349997","11.8618","0.0008","23.2484","0.0012","15.7977","0.0008","90","","90","","90","","4356.5","0.4","298","","298","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C8 H48 Cu2 Mo6 N8 O33 V2 -","- C8 H48 Cu2 Mo6 N8 O33 V2 -","- C32 H192 Cu8 Mo24 N32 O132 V8 -","4","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkina, Svitlana V.; Jezierska, Julia; Pavliuk, Mariia V.; Shylin, Sergii I.","Copper-containing hybrid compounds based on extremely rare [V2Mo6O26]6‒ POM as water oxidation catalysts","Inorganic Chemistry Frontiers","2019","6","7","1813","","10.1039/C9QI00040B","","x-ray","0.71073","MoKα","","0.1731","0.0626","","","0.0937","0.1247","","","","","","0.954","","","","has coordinates,has disorder","237926","2020-10-21","18:00:00",""
"4350135","26.01","0.04","8.431","0.012","9.598","0.013","90","","90","","90","","2105","5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C3 H12 Be2 N O9.5 P2 -","- C3 H11 Be2 N O9.5 P2 -","- C24 H88 Be16 N8 O76 P16 -","8","1","","Guo, Min; Yu, Jihong; Li, Jiyang; Li, Yi; Xu, Ruren","Syntheses and structures of two low-dimensional beryllium phosphate compounds: [C5H14N2]2[Be3(HPO4)5].H2O and [C6H18N2]0.5[Be2(PO4)(HPO4)OH].0.5H2O.","Inorganic chemistry","2006","45","8","3281","3286","10.1021/ic051906e","","","0.71073","MoKα","","0.1237","0.0833","","","0.2121","0.2278","","","","","","1.169","","","","has coordinates","239755","2020-10-21","18:00:00",""
"4350156","21.618","0.003","4.2267","0.0007","15.212","0.002","90","","90","","90","","1390","0.4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H12 Cu I N2 -","- C16 H12 Cu I N2 -","- C64 H48 Cu4 I4 N8 -","4","0.5","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.0416","0.0252","","","0.0528","0.0571","","","","","","0.93","","","","has coordinates","239767","2020-10-21","18:00:00",""
"4350303","18.6426","0.0007","17.699","0.0007","18.6234","0.0007","90","","90","","90","","6144.9","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C68 H71 B Fe2 N8 O5 -","- C68 H71 B Fe2 N8 O5 -","- C272 H284 B4 Fe8 N32 O20 -","4","0.5","","Jullien, Josseline; Juhász, Gergely; Mialane, Pierre; Dumas, Eddy; Mayer, Cédric R; Marrot, Jérôme; Rivière, Eric; Bominaar, Emile L.; Münck, Eckard; Sécheresse, Francis","Structure and magnetic properties of a non-heme diiron complex singly bridged by a hydroxo group.","Inorganic chemistry","2006","45","17","6922","6927","10.1021/ic0604009","","","0.71073","MoKα","","0.1042","0.0468","","","0.1157","0.1386","","","","","","0.985","","","","has coordinates","239831","2020-10-21","18:00:00",""
"4350438","25.596","0.005","19.402","0.004","22.363","0.005","90","","90","","90","","11106","4","294","2","294","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C98 H112 B2 Cu2 F8 O6 P4 -","- C98 H112 B2 Cu2 F8 O6 P4 -","- C392 H448 B8 Cu8 F32 O24 P16 -","4","0.5","","Meng, Xiang-Tai; Li, Qing-Shan; Xu, Feng-Bo; Song, Hai-Bin; Anson, Christopher E.; Zhang, Zheng-Zhi","Extended calix[4]arene analogues by two P-CuI-P bridges and anion encapsulation.","Inorganic chemistry","2006","45","20","7986","7987","10.1021/ic060892p","","","0.71073","MoKα","","0.1675","0.0758","","","0.2029","0.2435","","","","","","0.945","","","","has coordinates,has disorder","239895","2020-10-21","18:00:00",""
"4350439","25.173","0.003","19.367","0.002","22.745","0.003","90","","90","","90","","11089","2","294","2","294","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C101 H118 Cl8 Cu2 O14 P4 -","- C98 H112 Cl2 Cu2 O14 P4 -","- C392 H448 Cl8 Cu8 O56 P16 -","4","0.5","","Meng, Xiang-Tai; Li, Qing-Shan; Xu, Feng-Bo; Song, Hai-Bin; Anson, Christopher E.; Zhang, Zheng-Zhi","Extended calix[4]arene analogues by two P-CuI-P bridges and anion encapsulation.","Inorganic chemistry","2006","45","20","7986","7987","10.1021/ic060892p","","","0.71073","MoKα","","0.1258","0.065","","","0.1673","0.1883","","","","","","0.999","","","","has coordinates,has disorder","239896","2020-10-21","18:00:00",""
"4500033","16.1583","0.0005","27.9471","0.0008","12.0443","0.0003","90","","90","","90","","5438.9","0.3","200","2","200","2","","","","","","","Synthesized by the authors. See text","2","P c c n","-P 2ab 2ac","56","","","","- C78 H54 -","- C78 H54 -","- C312 H216 -","4","0.5","","Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D","Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents","Cryst. Growth & Design","2010","10","","648","657","10.1021/cg9010746","","","1.54178","CuKα","","0.0471","0.0455","","","0.1303","0.1333","","","","","","1.028","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500326","17.7412","0.0008","19.8116","0.0007","10.0546","0.0003","90","","90","","90","","3534","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H33 Eu N2 O12 -","- C38 H33 Eu N2 O12 -","- C152 H132 Eu4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0493","0.0266","","","0.0513","0.0579","","","","","","1.024","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500328","17.7423","0.0005","19.7457","0.0005","10.0389","0.0003","90","","90","","90","","3516.97","0.17","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H33 N2 O12 Tb -","- C38 H33 N2 O12 Tb -","- C152 H132 N8 O48 Tb4 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.029","0.0194","","","0.0439","0.0458","","","","","","0.945","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500829","8.2956","0.0008","12.9202","0.0013","23.109","0.002","90","","90","","90","","2476.8","0.4","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H8 Ba F2 O16 P2 U2 -","- C14 H8 Ba F2 O16 P2 U2 -","- C56 H32 Ba4 F8 O64 P8 U8 -","4","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.0515","0.0402","","","0.0837","0.086","","","","","","1.319","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4501625","24.957","0.005","13.252","0.003","19.669","0.004","90","","90","","90","","6505","2","291","2","291","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34.5 H32.5 N7.5 O7.5 -","- C34.5 H32.5 N7.5 O7.5 -","- C276 H260 N60 O60 -","8","1","","Ji, Bao-Ming; Deng, Dong-Sheng; Ma, Ning; Miao, Shao-Bin; Yang, Xiao-Gang; Ji, Li-Guo; Du, Miao","Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly","Crystal Growth & Design","2010","10","7","3060","","10.1021/cg100177n","","","0.71073","MoKα","","0.1303","0.0739","","","0.1929","0.2426","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501721","9.5056","0.0011","13.789","0.0016","14.2762","0.0016","90","","90","","90","","1871.2","0.4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C10 H16 B2 Cl4 N2 O6 Pt -","- C10 H16 B2 Cl4 N2 O6 Pt -","- C40 H64 B8 Cl16 N8 O24 Pt4 -","4","0.5","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0309","0.0294","","","0.0516","0.0523","","","","","","1.25","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501745","17.8998","0.0017","7.8956","0.0006","13.3048","0.0014","90","","90","","90","","1880.4","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C9 H9 Cd0.5 N2 O2 -","- C9 H9 Cd0.5 N2 O2 -","- C72 H72 Cd4 N16 O16 -","8","1","","Li, Xiaoju; Weng, Xiulan; Tang, Ruijie; Lin, Yuanmiao; Ke, Zhilong; Zhou, Wenbiao; Cao, Rong","Conformational Isomerism of 1,2-Bis(imidazol-1′-yl)ethane Affected by the Orientation of Functional Carboxylate Groups in Cadmium and Cobalt Helical Coordination Polymers","Crystal Growth & Design","2010","10","7","3228","","10.1021/cg100350b","","","0.71073","MoKα","","0.0534","0.0483","","","0.0877","0.0898","","","","","","1.333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501747","17.64","0.006","7.753","0.003","13.367","0.005","90","","90","","90","","1828.1","1.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C9 H9 Co0.5 N2 O2 -","- C9 H9 Co0.5 N2 O2 -","- C72 H72 Co4 N16 O16 -","8","1","","Li, Xiaoju; Weng, Xiulan; Tang, Ruijie; Lin, Yuanmiao; Ke, Zhilong; Zhou, Wenbiao; Cao, Rong","Conformational Isomerism of 1,2-Bis(imidazol-1′-yl)ethane Affected by the Orientation of Functional Carboxylate Groups in Cadmium and Cobalt Helical Coordination Polymers","Crystal Growth & Design","2010","10","7","3228","","10.1021/cg100350b","","","0.71073","MoKα","","0.0428","0.0384","","","0.0895","0.0918","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502242","20.639","0.005","21.396","0.005","16.918","0.004","90","","90","","90","","7471","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C48 H68 Fe2 Mo12 N3 O40 P -","- C48 H68 Fe2 Mo12 N3 O40 P -","- C192 H272 Fe8 Mo48 N12 O160 P4 -","4","0.5","","Xu, Haisheng; Li, Zhanfeng; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Charge-Transfer Salts via Cocrystallization of the Cationic Ferrocenyl Donor with Polyoxometalate Acceptors","Crystal Growth & Design","2010","10","3","1096","","10.1021/cg900777g","","","0.71073","MoKα","","0.1378","0.0928","","","0.2208","0.2356","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502425","27.66","0.005","7.49","0.0015","24.17","0.005","90","","90","","90","","5007.4","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H14 Cd F6 N O5 -","- C20 H14 Cd F6 N O5 -","- C160 H112 Cd8 F48 N8 O40 -","8","1","","Jiang, Hai-Long; Liu, Bo; Xu, Qiang","Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand","Crystal Growth & Design","2010","10","2","806","","10.1021/cg901181x","","","0.71073","MoKα","","0.076","0.0638","","","0.1498","0.1531","","","","","","1.1","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4503255","25.979","0.002","8.351","0.0007","17.1031","0.0014","90","","90","","90","","3710.5","0.5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H11 Cd Cl N8 O S2 -","- C14 H11 Cd Cl N8 O S2 -","- C112 H88 Cd8 Cl8 N64 O8 S16 -","8","1","","Chu, Zhao-Lian; Zhu, Hai-Bin; Hu, Da-Hua; Huang, Wei; Gou, Shao-Hua","1D Looped Chain, 1D Tube-like Chain, and 3D Inorganic‒Organic Hybrid Coordination Polymers Assembled from 1,6-Di(triazole-1-yl-methyl)-4-R-phenol and Cadmium(II) Thiocyanate","Crystal Growth & Design","2008","8","5","1599","","10.1021/cg700892z","","","0.71073","MoKα","","0.0407","0.0313","","","0.0698","0.0734","","","","","","1.006","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503717","7.7501","0.0001","11.9552","0.0002","21.5104","0.0003","90","","90","","90","","1993.02","0.05","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Cl2 N8 Ru -","- C18 H16 Cl2 N8 Ru -","- C72 H64 Cl8 N32 Ru4 -","4","0.5","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.0491","0.0304","","","0.0743","0.084","","","","","","1.014","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503888","14.711","0.003","7.8183","0.0012","14.539","0.003","90","","90","","90","","1672.2","0.5","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[2ClPy]2[CuCl4]","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.1185","0.0581","","","0.1104","0.1341","","","","","","1.031","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503957","20.0657","0.0008","21.64","0.0008","7.3127","0.0003","90","","90","","90","","3175.3","0.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H30 N4 O19 Pb2 -","- C24 H30 N4 O19 Pb2 -","- C96 H120 N16 O76 Pb8 -","4","0.5","","Zhao, Ya-Hui; Xu, Hong-Bin; Shao, Kui-Zhan; Xing, Yan; Su, Zhong-Min; Ma, Jian-Fang","Syntheses, Characterization, and Luminescent Properties of Three 3D Lead−Organic Frameworks with 1D Channels","Crystal Growth & Design","2007","7","3","513","","10.1021/cg060535p","","","0.71073","MoKα","","0.0238","0.0191","","","0.0453","0.0461","","","","","","1.051","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504672","15.721","0.001","15.828","0.001","15.414","0.001","90","","90","","90","","3835.5","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H40 Co N10 O6 S2 -","- C30 H18 Co N10 O6 S2 -","- C120 H72 Co4 N40 O24 S8 -","4","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1484","0.095","","","0.2958","0.3308","","","","","","1.101","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504674","16.604","0.001","14.532","0.001","16.097","0.001","90","","90","","90","","3884","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H21 Co N7 S2 -","- C26 H20 Co N7 S2 -","- C104 H80 Co4 N28 S8 -","4","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1757","0.0898","","","0.2749","0.3358","","","","","","1.034","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504762","19.253","0.004","24.785","0.005","9.6781","0.0019","90","","90","","90","","4618.3","1.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H22 Ag N5 O7 -","- C20 H22 Ag N5 O7 -","- C160 H176 Ag8 N40 O56 -","8","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0962","0.0492","","","0.1271","0.1494","","","","","","1.056","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504900","18.4371","0.0003","21.3954","0.0004","7.2088","0.0001","90","","90","","90","","2843.65","0.08","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H9 Cl Cu N8 -","- C12 H9 Cl Cu N8 -","- C96 H72 Cl8 Cu8 N64 -","8","1","","Gao, En-Qing; Yue, Yan-Feng; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","One-Dimensional Copper(II) Complexes Containing Only Single End-On Azido Bridges: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2005","5","3","1119","","10.1021/cg0496181","","","0.71073","MoKα","","0.081","0.0358","","","0.0732","0.0856","","","","","","1.017","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4505400","11.4815","0.0005","26.0534","0.0016","7.1885","0.0004","90","","90","","90","","2150.3","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0809","0.0416","","","0.0838","0.0952","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505626","21.9033","0.0016","22.7086","0.0016","21.3286","0.0016","90","","90","","90","","10608.7","1.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C114 H90 Mn5 N18 O21 -","- C114 H90 Mn5 N18 O21 -","- C456 H360 Mn20 N72 O84 -","4","0.5","","Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang","Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures","Crystal Growth & Design","2012","12","3","1091","","10.1021/cg300027h","","","0.71073","MoKα","","0.1016","0.0542","","","0.1422","0.1718","","","","","","1.019","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4506927","20.131","0.002","24.767","0.003","26.928","0.003","90","","90","","90","","13426","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C45 H34 Co2 N4 O12 -","- C45 H34 Co2 N4 O12 -","- C360 H272 Co16 N32 O96 -","8","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1473","0.1002","","","0.2857","0.307","","","","","","1.046","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506990","19.6403","0.0015","21.9093","0.0011","14.9888","0.0006","90","","90","","90","","6449.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Co2 N6 O12 -","- C77.028 H50 Co2 N6 O12.028 -","- C308.112 H200 Co8 N24 O48.112 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.17","0.0736","","","0.1393","0.1744","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506991","19.5953","0.0012","22.1837","0.001","14.9874","0.0008","90","","90","","90","","6515","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Mn2 N6 O12 -","- C77 H50 Mn2 N6 O12 -","- C308 H200 Mn8 N24 O48 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2137","0.1192","","","0.1733","0.202","","","","","","1.194","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506992","19.4437","0.0014","22.1871","0.0009","14.9011","0.0008","90","","90","","90","","6428.3","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 N6 O12 Zn2 -","- C77 H50 N6 O12 Zn2 -","- C308 H200 N24 O48 Zn8 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2085","0.106","","","0.1515","0.1811","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506993","19.5908","0.0009","22.1822","0.0012","15.0328","0.0005","90","","90","","90","","6532.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Cd2 N6 O12 -","- C77 H36 Cd2 N6 O12 -","- C308 H144 Cd8 N24 O48 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2136","0.1085","","","0.1532","0.1823","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507235","9.6053","0.0016","16.021","0.003","7.4386","0.0014","90","","90","","90","","1144.7","0.4","296","2","296","2","","","620000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0889","0.0739","","","0.1655","0.1747","","","","","","1.206","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507236","9.55","0.003","15.84","0.015","7.367","0.004","90","","90","","90","","1114.4","1.3","296","2","296","2","","","1050000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1618","0.1297","","","0.2116","0.223","","","","","","1.262","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507237","9.523","0.0017","15.651","0.003","7.3106","0.0015","90","","90","","90","","1089.6","0.4","296","2","296","2","","","1410000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0633","0.0519","","","0.109","0.115","","","","","","1.219","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507238","9.4896","0.0015","15.564","0.003","7.2671","0.0014","90","","90","","90","","1073.3","0.3","296","2","296","2","","","1720000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0584","0.0479","","","0.1118","0.1196","","","","","","0.952","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507239","9.4697","0.0015","15.511","0.003","7.2413","0.0014","90","","90","","90","","1063.6","0.3","296","2","296","2","","","1920000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0564","0.0477","","","0.0959","0.0997","","","","","","1.274","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507240","9.4365","0.0016","15.444","0.003","7.2004","0.0015","90","","90","","90","","1049.4","0.3","296","2","296","2","","","2240000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0672","0.0561","","","0.1087","0.1136","","","","","","1.305","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507732","13.4377","0.0009","17.6945","0.0009","16.5172","0.0008","90","","90","","90","","3927.4","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C38 H29 I N8 O8 Zn2 -","- C38 H29 I1.0004 N8 O8 Zn2 -","- C152 H116 I4.0016 N32 O32 Zn8 -","4","0.5","","Cao, Li-Hui; Xu, Qing-Qing; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","First Three-Dimensional Self-Penetrating Coordination Polymer Containing Rare (10,3)-d Subnets: Synthesis, Structure, and Properties","Crystal Growth & Design","2013","13","5","1812","","10.1021/cg400191x","","","0.71073","MoKα","","0.1172","0.0944","","","0.1923","0.2014","","","","","","1.079","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4508249","21.256","0.003","12.0891","0.0017","17.086","0.002","90","","90","","90","","4390.5","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C37 H45 Cl2 Cu N9 O16 -","- C37 H37 Cl2 Cu N9 O16 -","- C148 H148 Cl8 Cu4 N36 O64 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1079","0.073","","","0.1764","0.1925","","","","","","1.184","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508983","12.8276","0.0012","25.38","0.002","9.5029","0.0009","90","","90","","90","","3093.8","0.5","85","2","85","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C128 H184 N8 O40 -","8","1","","Reddy, L. Sreenivas; Bethune, Sarah J.; Kampf, Jeff W.; Rodríguez-Hornedo, Naír","Cocrystals and Salts of Gabapentin: pH Dependent Cocrystal Stability and Solubility","Crystal Growth & Design","2009","9","1","378","","10.1021/cg800587y","","","0.71073","MoKα","","0.0399","0.0371","","","0.0966","0.0994","","","","","","1.069","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509274","21.8769","0.0011","11.7814","0.0006","14.6796","0.0007","90","","90","","90","","3783.5","0.3","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-Aminopyridinium 3,5-dihydroxybenzoate (3,5-dihydroxybenzoic acid)","","- C19 H18 N2 O8 -","- C19 H18 N2 O8 -","- C152 H144 N16 O64 -","8","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.1082","0.0864","","","0.1596","0.1691","","","","","","1.211","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509748","10.005","0.002","19.344","0.004","25.704","0.005","90","","90","","90","","4974.7","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C35 H35 Cu5 I5 N7 S7 -","- C35 H35 Cu5 I5 N7 S7 -","- C140 H140 Cu20 I20 N28 S28 -","4","0.5","","Chen, Yang; Wang, Zi-Ou; Ren, Zhi-Gang; Li, Hong-Xi; Li, Duan-Xiu; Liu, Dong; Zhang, Yong; Lang, Jian-Ping","Solvothermal Stepwise Formation of Cu/I/S-Based Semiconductors from a Three-Dimensional Net to One-Dimensional Chains","Crystal Growth & Design","2009","9","11","4963","","10.1021/cg9007608","","","0.71073","MoKα","","0.0526","0.0452","","","0.0918","0.0952","","","","","","1.046","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509864","45.787","0.015","16.599","0.005","17.858","0.006","90","","90","","90","","13572","8","113","2","113","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C74 H66 Cd2 N8 O10 Zn0 -","- C74 H62 Cd2 N8 O10 -","- C592 H496 Cd16 N64 O80 -","8","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71075","MoKα","","0.1205","0.1103","","","0.2665","0.2746","","","","","","1.146","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4510795","14.9692","0.0019","26.147","0.003","8.596","0.001","90","","90","","90","","3364.5","0.7","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Ag3 F6 N2 O4 -","- C10 H8 Ag3 F6 N2 O4 -","- C80 H64 Ag24 F48 N16 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0728","0.0476","","","0.1127","0.1319","","","","","","1.035","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510922","17.572","0.003","21.702","0.004","7.065","0.0014","90","","90","","90","","2694.2","0.9","150","2","150","","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","OrcinolHexamine","","","- C13 H20 N4 O2 -","- C13 H20 N4 O2 -","- C104 H160 N32 O16 -","8","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0474","0.0408","","","0.1244","0.1421","","","","","","1.11","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4512471","37.903","0.003","20.749","0.0016","24.389","0.002","90","","90","","90","","19181","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C60 H98 Mo12 N8 O43 P Zn4 -","- C60 H81 Mo12 N8 O43.5 P Zn4 -","- C480 H648 Mo96 N64 O348 P8 Zn32 -","8","1","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.1792","0.0695","","","0.1598","0.1941","","","","","","1.001","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512591","16.1623","0.0009","17.5366","0.0011","13.8202","0.0008","90","","90","","90","","3917.1","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H25 N4 O2 -","- C22 H24 N4 O2 -","- C176 H192 N32 O16 -","8","1","","Selvaraju, Manikandan; Sun, Chung-Ming","Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B.","ACS combinatorial science","2015","17","3","182","189","10.1021/co500152s","","","0.71073","MoKα","","0.1011","0.0624","","","0.135","0.1773","","","","","","1.142","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4513421","12.8995","0.0005","18.6577","0.0008","7.1839","0.0003","90","","90","","90","","1728.99","0.12","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","diaqua 4,4-bipyridyl-dicyanoacetatocobalt(II)","","- C16 H16 Co N4 O6 -","- C16 H16 Co N4 O6 -","- C64 H64 Co4 N16 O24 -","4","0.5","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.029","0.0258","","","0.0743","0.0766","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513423","12.7963","0.0012","18.0945","0.0017","7.4363","0.0007","90","","90","","90","","1721.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","diaqua(4,4-bipyridyl)dicyanoacetatocopper(II)","","- C16 H16 Cu N4 O6 -","- C16 H16 Cu N4 O6 -","- C64 H64 Cu4 N16 O24 -","4","0.5","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0395","0.0347","","","0.0921","0.0958","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513507","15.2758","0.001","38.796","0.003","9.4218","0.0006","90","","90","","90","","5583.7","0.7","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C53 H50 Cl4 N8 O8 Pb S2 -","- C53 H50 Cl4 N8 O8 Pb S2 -","- C212 H200 Cl16 N32 O32 Pb4 S8 -","4","0.5","","Liu, Beibei; Lin, Xiaoling; Li, Hao; Li, Kaixuan; Huang, Hui; Bai, Liang; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Luminescent Coordination Polymers for Highly Sensitive Detection of Nitrobenzene","Crystal Growth & Design","2015","15","9","4355","","10.1021/acs.cgd.5b00648","","","0.71073","MoKα","","0.053","0.0321","","","0.0608","0.065","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4514608","14.751","0.015","33.72","0.03","8.39","0.008","90","","90","","90","","4173","7","296","2","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H21 F3 N2 O2 -","- C22 H21 F3 N2 O2 -","- C176 H168 F24 N16 O16 -","8","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1173","0.0626","","","0.1177","0.1458","","","","","","1.065","","","","has coordinates,has disorder","219793","2020-10-21","18:00:00",""
"4515102","20.9052","0.0014","24.2857","0.0017","9.8558","0.0007","90","","90","","90","","5003.8","0.6","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H22 N4 Ni O9 S -","- C24 H22 N4 Ni O9 S -","- C192 H176 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0495","0.0326","","","0.0724","0.0788","","","","","","1.022","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515103","21.5233","0.0018","24.378","0.002","10.1884","0.0009","90","","90","","90","","5345.8","0.8","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C25 H24 N4 Ni O9 S -","- C25 H24 N4 Ni O9 S -","- C200 H192 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0398","0.032","","","0.0802","0.0851","","","","","","1.035","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515566","6.6399","0.0003","17.0733","0.001","19.2759","0.0012","90","","90","","90","","2185.2","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0959","0.0563","","","0.1348","0.1597","","","","","","1.039","","","","has coordinates","225721","2020-10-21","18:00:00",""
"4515786","9.5696","0.0003","10.714","0.0003","40.8756","0.0012","90","","90","","90","","4190.9","0.2","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H54 Cl7 N3 W2 -","- C32 H54 Cl7 N3 W2 -","- C128 H216 Cl28 N12 W8 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.1053","0.0926","","","0.1621","0.1673","","","","","","1.287","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515797","9.5253","0.0004","16.5175","0.0007","22.4483","0.001","90","","90","","90","","3531.9","0.3","99.97","","99.97","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C40 H28 F4 N12 Ni2 -","- C40 H28 F4 N12 Ni2 -","- C160 H112 F16 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C‒H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0701","0.0678","","","0.155","0.1558","","","","","","1.353","","","","has coordinates,has disorder","225913","2020-10-21","18:00:00",""
"4516421","29.524","0.014","11.342","0.005","23.007","0.011","90","","90","","90","","7704","6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C53 H35 Cd4 N3 O24 -","- C53 H35 Cd4 N3 O24 -","- C212 H140 Cd16 N12 O96 -","4","0.5","","Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu","Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity","Crystal Growth & Design","2015","15","11","5382","","10.1021/acs.cgd.5b00997","","","0.71073","MoKα","","0.1102","0.057","","","0.1555","0.1748","","","","","","0.895","","","","has coordinates,has disorder","231300","2020-10-21","18:00:00",""
"4516786","3.8199","0.0017","19.117","0.009","25.488","0.012","90","","90","","90","","1861.3","1.5","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","0.5","","Mamada, Masashi; Inada, Ko; Komino, Takeshi; Potscavage, Jr, William J; Nakanotani, Hajime; Adachi, Chihaya","Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System.","ACS central science","2017","3","7","769","777","10.1021/acscentsci.7b00183","","","0.71075","MoKα","","0.1495","0.1323","","","0.2638","0.2726","","","","","","1.335","","","","has coordinates,has disorder","239538","2020-10-21","18:00:00",""
"4517051","18.545","0.004","13.04","0.003","14.563","0.003","90","","90","","90","","3521.7","1.3","100","2","100","2","","","","","","","Jose Giner Planas","7","P c c n","-P 2ab 2ac","56","","","","- C18 H42 B20 Cl2 Co N2 O4 -","- C18 H42 B20 Cl2 Co N2 O4 -","- C72 H168 B80 Cl8 Co4 N8 O16 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71075","MoKα","","0.0483","0.0456","","","0.096","0.0973","","","","","","1.17","","","","has coordinates","239715","2020-10-21","18:00:00",""
"4517242","14.7099","0.0008","21.1833","0.0012","22.3481","0.0011","90","","90","","90","","6963.8","0.6","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C45 H40 N2 O2 -","- C45 H40 N2 O2 -","- C360 H320 N16 O16 -","8","1","","Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian","Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17545","","","","","","0.102","","","","","","","","","","","","","","","has coordinates","245450","2020-10-21","18:00:00",""
"4517243","14.5643","0.0005","21.1248","0.0009","22.2011","0.0007","90","","90","","90","","6830.6","0.4","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H39 N3 O2 -","- C44 H39 N3 O2 -","- C352 H312 N24 O16 -","8","1","","Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian","Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17545","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","245451","2020-10-21","18:00:00",""
"4517329","35.55","0.0005","17.7103","0.0002","18.7565","0.0003","90","","90","","90","","11809.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H56 B F26 P2 Rh -","- C56 H56 B F26 P2 Rh -","- C448 H448 B8 F208 P16 Rh8 -","8","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.1167","0.1069","","","0.278","0.2856","","","","","","1.032","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517621","24.49","0.004","31.655","0.005","8.3979","0.0012","90","","90","","90","","6510.3","1.7","100","","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C23 H16 Br Cl Eu N3 O7 -","- C23 H16 Br Cl Eu N3 O7 -","- C184 H128 Br8 Cl8 Eu8 N24 O56 -","8","1","","Gupta, Kritika; Patra, Ashis K.","Luminescent Europium(III) 'Turn-ON' Sensor for G-series Chemical Warfare Simulants: A Mechanistic Investigation.","ACS sensors","2020","","","","","10.1021/acssensors.9b02552","","","0.71073","MoKα","","0.0815","0.0584","","","0.1369","0.1515","","","","","","1.029","","","","has coordinates","251218","2020-10-21","18:00:00",""
"4518244","20.9621","0.0004","13.2147","0.0002","17.096","0.0003","90","","90","","90","","4735.73","0.14","173","","173","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H22 F3 N O4 S -","- C26 H22 F3 N O4 S -","- C208 H176 F24 N8 O32 S8 -","8","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0401","","","","0.1151","","","","","","1.033","","","","has coordinates","259190","2020-11-19","22:27:15",""
"4518628","21.9999","0.0005","20.5062","0.0007","10.552","0.0005","90","","90","","90","","4760.4","0.3","293","2","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H17 N4 O S -","- C28 H17 N4 O S -","- C224 H136 N32 O8 S8 -","8","1","","Liu, Luqi; Wang, Xian; Wang, Li-Juan; Guo, Lianqin; Li, Yanbin; Bai, Bing; Fu, Fan; Lu, Hongguang; Zhao, Xiaowei","One-for-All Phototheranostic Agent Based on Aggregation-Induced Emission Characteristics for Multimodal Imaging-Guided Synergistic Photodynamic/Photothermal Cancer Therapy","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c02260","","x-ray","1.54184","CuKα","","0.0836","0.0606","","","0.1905","0.2153","","","","","","1.051","","","","has coordinates","264513","2021-04-25","21:14:18",""
"4518999","14.7031","0.0009","17.8228","0.0011","23.8035","0.0015","90","","90","","90","","6237.7","0.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H82 I2 N6 Ni2 O2 -","- C64 H82 I2 N6 Ni2 O2 -","- C256 H328 I8 N24 Ni8 O8 -","4","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0296","0.0224","","","0.046","0.0487","","","","","","1.08","","","","has coordinates,has disorder","268427","2021-09-03","19:47:45",""
"4519213","17.4501","0.0006","15.8364","0.0005","15.8064","0.0005","90","","90","","90","","4368","0.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H15 Nd O10 -","- C18 H15 Nd O10 -","- C144 H120 Nd8 O80 -","8","1","","Cui, Ruixue; Sun, Wei; Liu, Meiying; Shi, Jing; Liu, Zhiliang","Near-Infrared Emissive Lanthanide Metal-Organic Frameworks for Targeted Biological Imaging and pH-Controlled Chemotherapy.","ACS applied materials & interfaces","2021","13","49","59164","59173","10.1021/acsami.1c20817","","","1.54178","CuKα","","0.0569","0.0492","","","0.1558","0.1643","","","","","","1.102","","","","has coordinates","271709","2022-01-03","20:18:30",""
"4519310","22.7897","0.0016","11.5629","0.0011","18.4891","0.0013","90","","90","","90","","4872.2","0.7","297","2","297","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","CQM","","- C34 H24 N2 -","- C34 H24 N2 -","- C272 H192 N16 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.073","0.0398","","","0.0927","0.1137","","","","","","1.021","","","","has coordinates","272481","2022-02-03","21:25:24",""
"6000748","6.639","","12.839","","13.266","","90","","90","","90","","1130.77","","","","","","","","","","","","","3","P c c n","","","","","","- Fe2 O7 Se2 -","","","","","","Giester, G.","Crystal structure of Fe2O(SeO3)(2), a new oxoselenite compound with ferric iron in distorted tetrahedral coordination","Zeitschrift für Kristallographie","1996","211","9","603","606","10.1524/zkri.1996.211.9.603","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000102","10.063","0.0015","16.964","0.002","7.959","0.0011","90","","90","","90","","1358.7","0.3","150","","150","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H24 Ga2 N2 -","- C8 H24 Ga2 N2 -","- C32 H96 Ga8 N8 -","4","0.5","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0767","0.0604","","0.1362","0.1294","0.1362","","","","","","1.0699","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000367","17.7003","0.0006","12.5957","0.0004","13.4575","0.0003","90","","90","","90","","3000.32","0.15","183","2","183","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H20 N2 O12 W2 -","- C26 H20 N2 O12 W2 -","- C104 H80 N8 O48 W8 -","4","0.5","","Lotz, Simon; Crause, Chantelle; Olivier, Andrew J.; Liles, David C.; Görls, Helmar; Landman, Marilé; Bezuidenhout, Daniela I.","Synthesis and reactivity of metal carbene complexes with heterobiaryl spacer substituents","Dalton Transactions","2009","","4","697","","10.1039/b811762d","","","0.71073","MoKα","","0.0445","0.0313","","","0.0663","0.0709","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000559","13.9758","0.0003","18.9076","0.0005","28.8651","0.0008","90","","90","","90","","7627.6","0.3","243","2","243","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C72 H72 B Cu F24 Ga4 -","- C72 H72 B Cu F24 Ga4 -","- C288 H288 B4 Cu4 F96 Ga16 -","4","0.5","","Bollermann, Timo; Puls, Arik; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.","Reactions of cationic transition metal acetonitrile complexes [M(CH3CN)n]m+ with GaCp*: novel gallium complexes of iron, cobalt, copper and silver","Dalton Transactions","2009","","8","1372","","10.1039/b815319a","","","0.71073","MoKα","","0.1029","0.0444","","","0.0951","0.1082","","","","","","0.816","","","","has coordinates,has disorder","179683","2020-10-21","18:00:00",""
"7000563","20.6243","0.0004","18.2357","0.0004","16.3338","0.0003","90","","90","","90","","6143.1","0.2","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C23 H53 Li O5 Zn3 -","- C23 H53 Li O5 Zn3 -","- C184 H424 Li8 O40 Zn24 -","8","1","","Jana, Surajit; Aksu, Yilmaz; Driess, Matthias","One-pot synthesis of lithium alkylzinc alkoxo heterocubanes with a LiZn3O4 core as suitable organometallic precursors for Li-containing ZnO nanocrystals","Dalton Transactions","2009","","9","1516","1521","10.1039/b816623d","","","0.71073","MoKα","","0.052","0.0271","","","0.0558","0.0659","","","","","","1.003","","","","has coordinates,has disorder","179683","2020-10-21","18:00:00",""
"7000681","14.655","0.008","15.235","0.008","16.563","0.009","90","","90","","90","","3698","3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C37 H52 N6 Y2 -","- C37 H52 N6 Y2 -","- C148 H208 N24 Y8 -","4","0.5","","Zhang, Jie; Han, Fuyan; Han, Yanan; Chen, Zhenxia; Zhou, Xigeng","Synthesis and structures of titanium and yttrium complexes with N,N′-tetramethylguanidinate ligands: different reactivity of the M‒N bonds toward phenyl isocyanate","Dalton Transactions","2009","","10","1806","1811","10.1039/b817776g","","","0.71073","MoKα","","0.1691","0.0648","","","0.0758","0.0843","","","","","","1.047","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000794","22.221","0.007","29.634","0.009","14.913","0.004","90","","90","","90","","9820","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C80 H92 Ir4 N8 S8 -","- C80 H92 Ir4 N8 S8 -","- C320 H368 Ir16 N32 S32 -","4","0.5","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin","Half-sandwich Ir-based neutral organometallic macrocycles containing pyridine-4-thiolato ligands","Dalton Transactions","2009","","12","2077","2080","10.1039/b900645c","","","0.71073","MoKα","","0.1131","0.0483","","","0.0985","0.1078","","","","","","0.777","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000796","15.011","0.003","24.373","0.005","7.1243","0.0015","90","","90","","90","","2606.5","0.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H8 N3 Pt Tl -","- C15 H8 N3 Pt Tl -","- C120 H64 N24 Pt8 Tl8 -","8","1","","Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta; Gil, Belén; Lalinde, Elena","Extended structures containing Pt(ii)‒Tl(i) bonds. Effect of these interactions on the luminescence of cyclometalated Pt(ii) compounds","Dalton Transactions","2009","","12","2224","2234","10.1039/b819323a","","","0.71073","MoKα","","0.033","0.0301","","","0.0858","0.0875","","","","","","1.056","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000803","18.1241","0.0009","26.0307","0.0012","9.1762","0.0004","90","","90","","90","","4329.2","0.3","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C28 H42 Br4 Cl6 N6 Pd2 -","- C28 H42 Br4 Cl6 N6 Pd2 -","- C112 H168 Br16 Cl24 N24 Pd8 -","4","0.5","","Han, Yuan; Huynh, Han Vinh","Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles","Dalton Transactions","2009","","12","2201","2209","10.1039/b816471a","","","0.71073","MoKα","","0.0792","0.0679","","","0.1614","0.1682","","","","","","1.066","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000853","44.1966","0.0005","14.2593","0.0001","24.4632","0.0002","90","","90","","90","","15417","0.2","180","2","180","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C50.5 H48.5 N3.5 O13.5 P2 Zn2 -","- C50.5 H48.5 N3.5 O13.5 P2 Zn2 -","- C404 H388 N28 O108 P16 Zn16 -","8","1","","Humphrey, Simon M.; Allan, Phoebe K.; Oungoulian, Shaunt E.; Ironside, Matthew S.; Wise, Erica R.","Metal‒organophosphine and metal‒organophosphonium frameworks with layered honeycomb-like structures","Dalton Transactions","2009","","13","2298","2305","10.1039/b820038f","","","0.71073","MoKα","","0.1439","0.0899","","","0.2349","0.2654","","","","","","0.979","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000910","12.801","0.002","20.582","0.002","25.813","0.003","90","","90","","90","","6801","1.5","295","2","295","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''- terpyridine)nickel(ii) bis(hexafluorophosphate) ethanol disolvate monohydrate","Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]nickel(II) bis(hexafluorophosphate) ethanol disolvate monohydrate","","- C64 H76 F12 N6 Ni O15 P2 -","- C64 H76 F12 N6 Ni O15 P2 -","- C256 H304 F48 N24 Ni4 O60 P8 -","4","0.5","","Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine","Dalton Transactions","2009","","14","2482","2489","10.1039/b819805e","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.8083","","","","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000911","12.636","0.002","20.828","0.002","25.056","0.003","90","","90","","90","","6594.3","1.5","295","2","295","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''- terpyridine)cobalt(ii) bis(hexafluorophosphate) trihydrate","Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]cobalt(II) bis(hexafluorophosphate) trihydrate","","- C60 H68 Co F12 N6 O15 P2 -","- C60 H68 Co F12 N6 O15 P2 -","- C240 H272 Co4 F48 N24 O60 P8 -","4","0.5","","Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine","Dalton Transactions","2009","","14","2482","2489","10.1039/b819805e","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.3163","","","","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000913","12.679","0.002","20.891","0.002","25.303","0.003","90","","90","","90","","6702.2","1.5","295","2","295","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''- terpyridine)zinc(ii) bis(hexafluorophosphate) trihydrate","Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]zinc(II) bis(hexafluorophosphate) trihydrate","","- C60 H68 F12 N6 O15 P2 Zn -","- C60 H68 F12 N6 O15 P2 Zn -","- C240 H272 F48 N24 O60 P8 Zn4 -","4","0.5","","Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine","Dalton Transactions","2009","","14","2482","2489","10.1039/b819805e","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.7148","","","","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001307","29.9778","0.0007","50.1664","0.0012","26.2454","0.0006","90","","90","","90","","39469.9","1.6","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C168 H136 B10 F42 N48 Ni6 -","- C168 H136 B9 F38 N48 Ni6 -","- C1344 H1088 B72 F304 N384 Ni48 -","8","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Homonuclear and heteronuclear complexes of a four-armed octadentate ligand: synthetic control based on matching ligand denticity with metal ion coordination preferences","Dalton Transactions","2009","","21","4199","4207","10.1039/b901891c","","","0.71073","MoKα","","0.1364","0.1151","","","0.3365","0.3509","","","","","","1.44","","","","has coordinates,has disorder","179710","2020-10-21","18:00:00",""
"7001308","29.8251","0.0006","50.3863","0.001","26.4444","0.0006","90","","90","","90","","39740","1.4","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C168 H136 B10 Co6 F42 N48 -","- C168 H136 B8 Co6 F34 N48 -","- C1344 H1088 B64 Co48 F272 N384 -","8","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Homonuclear and heteronuclear complexes of a four-armed octadentate ligand: synthetic control based on matching ligand denticity with metal ion coordination preferences","Dalton Transactions","2009","","21","4199","4207","10.1039/b901891c","","","0.71073","MoKα","","0.1797","0.1603","","","0.4478","0.459","","","","","","1.956","","","","has coordinates,has disorder","179710","2020-10-21","18:00:00",""
"7001556","13.94","0.003","24.307","0.005","29.061","0.007","90","","90","","90","","9847","4","213","2","213","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C112 H126 Bi2 O21 -","- C112 H122 Bi2 O21 -","- C448 H488 Bi8 O84 -","4","0.5","","Mendoza-Espinosa, Daniel; Rheingold, Arnold L.; Hanna, Tracy A.","Synthesis of bismuth and antimony complexes of the “larger” calix[n]arenes (n = 6‒8); from mononuclear to tetranuclear complexes","Dalton Transactions","2009","","26","5226","5238","10.1039/b903947c","","","0.71073","MoKα","","0.1371","0.0475","","","0.0876","0.1048","","","","","","0.858","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001703","25.533","0.017","19.872","0.013","21.352","0.014","90","","90","","90","","10834","12","223","2","223","2","","","","","","","","11","P c c n","-P 2ab 2ac","56","","","","- C90 H74 Ca Cl6 F12 Fe2 N2 O16 P4 Pd2 S4 -","- C90 H74 Ca Cl6 F12 Fe2 N2 O16 P4 Pd2 S4 -","- C360 H296 Ca4 Cl24 F48 Fe8 N8 O64 P16 Pd8 S16 -","4","0.5","","Teo, Peili; Koh, L. L.; Hor, T. S. Andy","Na+ and Ca2+ ion selective pyridylcarboxylate rings of Pd(II) and Pt(II)","Dalton Transactions","2009","","29","5637","","10.1039/b821379h","","","0.71073","MoKα","","0.1864","0.1573","","","0.3712","0.3872","","","","","","1.136","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001954","17.9823","0.0007","20.1857","0.0009","12.4699","0.0005","90","","90","","90","","4526.4","0.3","100","2","100","2","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","","","- C21 H16 F6 Mn N4 O3 P -","- C21 H16 F6 Mn N4 O3 P -","- C168 H128 F48 Mn8 N32 O24 P8 -","8","1","","Ruiz, Javier; Berros, Ángela; Perandones, Bernabé F.; Vivanco, Marilín","NHC‒manganese(i) complexes as carbene transfer agents","Dalton Transactions","2009","","35","6999","","10.1039/b906450h","","x-ray","0.7107","MoKα","","0.1034","0.0434","","","0.083","0.1073","","","","","","1.016","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7002387","16.56","0.005","41.448","0.013","15.582","0.005","90","","90","","90","","10695","6","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C100 H106 F12 N8 O17 Ru4 S4 -","- C100 H106 F12 N8 O17 Ru4 S4 -","- C400 H424 F48 N32 O68 Ru16 S16 -","4","0.5","","Zhang, Wan-Zheng; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis and characterization of molecular rectangles of half-sandwich p-cymene ruthenium complexes bearing oxamidato ligands","Dalton Transactions","2009","","39","8426","8431","10.1039/b909357e","","","0.71073","MoKα","","0.154","0.0747","","","0.1841","0.2097","","","","","","0.955","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002452","20.656","0.003","36.021","0.007","8.436","0.0014","90","","90","","90","","6276.8","1.8","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C35 H36 Al Cl2 N5 -","- C35 H36 Al Cl2 N5 -","- C280 H288 Al8 Cl16 N40 -","8","1","","Chen, I-Chun; Ho, Shi-Mau; Chen, Ya-Chi; Lin, Che-Yu; Hu, Ching-Han; Tu, Cheng-Yi; Datta, Amitabha; Huang, Jui-Hsien; Lin, Chia-Her","Deprotonation and reductive addition reactions of hypervalent aluminium dihydride compounds containing substituted pyrrolyl ligands with phenols, ketones, and aldehydes","Dalton Transactions","2009","","40","8631","8643","10.1039/b908164j","","","0.71073","MoKα","","0.1996","0.0665","","","0.1471","0.1874","","","","","","0.907","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002593","19.6406","0.0006","15.4525","0.0005","18.2289","0.0006","90","","90","","90","","5532.4","0.3","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Compound 1","","","- C56 H80 O4 S2 V -","- C56 H80 O4 S2 V -","- C224 H320 O16 S8 V4 -","4","0.5","","Homden, Damien; Redshaw, Carl; Warford, Lee; Hughes, David L.; Wright, Joseph A.; Dale, Sophie H.; Elsegood, Mark R. J.","Synthesis, structure and ethylene polymerisation behaviour of vanadium(iv and v) complexes bearing chelating aryloxides","Dalton Transactions","2009","","41","8900","8910","10.1039/b901810g","","","0.71073","MoKα","","0.0593","0.0422","","","0.1073","0.1235","","","","","","1.055","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7003051","19.135","0.005","10.103","0.005","13.099","0.005","90","","90","","90","","2532.3","1.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H25 Co N6 O4 S2 -","- C26 H25 Co N6 O4 S2 -","- C104 H100 Co4 N24 O16 S8 -","4","0.5","","Singh, Akhilesh Kumar; Mukherjee, Rabindranath","Cobalt(ii) and cobalt(iii) complexes of thioether-containing hexadentate pyrazine amide ligands: C‒S bond cleavage and cyclometallation reaction","Dalton Transactions","2008","","2","260","270","10.1039/b709901k","","","0.71069","MoKα","","0.1044","0.0885","","","0.1803","0.1856","","","","","","1.269","","","","has coordinates,has disorder","179734","2020-10-21","18:00:00",""
"7003148","25.291","0.005","28.749","0.006","20.03","0.004","90","","90","","90","","14564","5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H57 As8 Cd3 N12 O45.5 V13 -","- C22 H48 As8 Cd3 N12 O45.5 V13 -","- C176 H384 As64 Cd24 N96 O364 V104 -","8","1","","Qi, Yanfei; Li, Yangguang; Wang, Enbo; Zhang, Zhiming; Chang, Song","Metal-controlled self-assembly of arsenic‒vanadium-cluster backbones with organic ligands","Dalton Transactions","2008","","17","2335","2345","10.1039/b713115a","","","0.71073","MoKα","","0.1006","0.0631","","","0.163","0.1842","","","","","","1.099","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003403","23.6467","0.0011","24.0903","0.0012","20.2106","0.001","90","","90","","90","","11513.1","1","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C86 H163 Fe10 N7 O44 -","- C86 H163 Fe10 N7 O44 -","- C344 H652 Fe40 N28 O176 -","4","0.5","","Ferguson, Alan; McGregor, Julie; Parkin, Andrew; Murrie, Mark","Linking iron(iii) carboxylates into high-nuclearity complexes by using Bis-tris","Dalton Transactions","2008","","6","731","733","10.1039/b715932c","","","0.71073","MoKα","","0.0677","0.0351","","0.1434","0.0907","0.1434","","","","","","1.0722","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003956","17.7482","0.0006","15.6029","0.0006","14.4394","0.0005","90","","90","","90","","3998.6","0.2","243.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H19 Al F5 N O -","- C19 H19 Al F5 N O -","- C152 H152 Al8 F40 N8 O8 -","8","1","","Liu, Jingyu; Iwasa, Naruhito; Nomura, Kotohiro","Synthesis of Al complexes containing phenoxy-imine ligands and their use as the catalyst precursors for efficient living ring-opening polymerisation of ε-caprolactone","Dalton Transactions","2008","","30","3978","3988","10.1039/b801561a","","","0.71075","MoKα","","","0.0352","","","","0.0816","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004004","12.601","0.0003","16.671","0.0005","20.317","0.0006","90","","90","","90","","4268","0.2","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C36.5 H35 Cl7 Fe3 N4 O P2 -","- C36.5 H35 Cl7 Fe3 N4 O P2 -","- C146 H140 Cl28 Fe12 N16 O4 P8 -","4","0.5","","Kermagoret, Anthony; Tomicki, Falk; Braunstein, Pierre","Nickel and iron complexes with N,P,N-type ligands: synthesis, structure and catalytic oligomerization of ethylene","Dalton Transactions","2008","","22","2945","2955","10.1039/b802009d","","","0.71073","MoKα","","0.1464","0.0875","","","0.151","0.1681","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004203","12.0136","0.0002","12.4957","0.0002","16.9666","0.0003","90","","90","","90","","2547","0.07","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H32 N6 Zr -","- C26 H32 N6 Zr -","- C104 H128 N24 Zr4 -","4","0.5","","Barnea, Eyal; Odom, Aaron L.","Zirconium complexes bearing a tetradentate dipyrrolyl ligand","Dalton Transactions","2008","","30","4050","4054","10.1039/B804172E","","","0.71073","MoKα","","0.0802","0.036","","","0.0756","0.0899","","","","","","0.993","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004209","22.928","0.001","14.8182","0.0007","21.085","0.001","90","","90","","90","","7163.7","0.6","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C56 H90 Cu4 I4 N14 O4 P4 -","- C56 H90 Cu4 I4 N14 O4 P4 -","- C224 H360 Cu16 I16 N56 O16 P16 -","4","0.5","","Suresh, D.; Balakrishna, Maravanji S.; Mague, Joel T.","Novel octanuclear copper(i) metallomacrocycles and their transformation into hexanuclear 2-dimensional grids of copper(i) coordination polymers containing cyclodiphosphazanes, [(μ-NtBuP)2(NC4H8X)2] (X = NMe, O)","Dalton Transactions","2008","","25","3272","3274","10.1039/b804311f","","","0.71073","MoKα","","0.0374","0.0281","","","0.0578","0.0623","","","","","","1.043","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004277","10.7389","0.0001","22.2879","0.0003","24.3237","0.0003","90","","90","","90","","5821.82","0.12","123","2","123","2","","","","","","","THF-Hexane","6","P c c n","-P 2ab 2ac","56","[Ru4(mu4-S)2(CO)9(IMes)2]2THF","","","- C29.5 H32 N2 O5.5 Ru2 S -","- C29.5 H32 N2 O5.5 Ru2 S -","- C236 H256 N16 O44 Ru16 S8 -","8","1","","Bruce, Michael I.; Cole, Marcus L.; Fung, Ricky S. C.; Forsyth, Craig M.; Hilder, Matthias; Junk, Peter C.; Konstas, Kristina","The reactivity of N-heterocyclic carbenes and their precursors with [Ru3(CO)12]","Dalton Transactions","2008","","31","4118","4128","10.1039/B805012K","","x-ray","0.71073","MoKα","","0.0738","0.0452","","","0.1112","0.1271","","","","","","1.062","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7005379","15.296","0.0019","16.55","0.002","15.081","0.0019","90","","90","","90","","3817.7","0.8","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H42 N2 O8 Zn2 -","- C42 H42 N2 O8 Zn2 -","- C168 H168 N8 O32 Zn8 -","4","0.5","","Clegg, Jack K.; Bray, David J.; Gloe, Kerstin; Gloe, Karsten; Hayter, Michael J.; Jolliffe, Katrina A.; Lawrance, Geoffrey A.; Meehan, George V.; McMurtrie, John C.; Lindoy, Leonard F.; Wenzel, Marco","Neutral (bis-beta-diketonato) iron(III), cobalt(II), nickel(II), copper(II) and zinc(II) metallocycles: structural, electrochemical and solvent extraction studies.","Dalton transactions (Cambridge, England : 2003)","2007","","17","1719","1730","10.1039/b701575e","","","0.71073","MoKα","","0.0513","0.0357","","","0.0955","0.1065","","","","","","1.034","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7005617","16.291","0.002","16.3","0.002","9.1949","0.0012","90","","90","","90","","2441.6","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C104 H112 N32 O8 -","8","1","","Diaz, Pilar; Tovilla, Jorge A.; Ballester, Pablo; Benet-Buchholz, Jordi; Vilar, Ramón","Synthesis, structural characterization and anion binding studies of palladium macrocycles with hydrogen-bonding ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3516","3525","10.1039/b703660d","","","0.71073","MoKα","","0.07","0.0634","","","0.1827","0.1901","","","","","","1.058","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005674","15.1631","0.0004","29.3035","0.0007","7.5829","0.0002","90","","90","","90","","3369.32","0.15","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H17 Cl2 N3 O5 Pt -","- C11 H17 Cl2 N3 O5 Pt -","- C88 H136 Cl16 N24 O40 Pt8 -","8","1","","Lasri, Jamal; Adília Januário Charmier, M; da Silva, M Fátima C Guedes; Pombeiro, Armando J. L.","Mixed unsymmetric oxadiazoline and/or imine platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3259","3266","10.1039/b704329e","","","0.71069","MoKα","","0.0345","0.0283","","","0.0684","0.0701","","","","","","1.173","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7006681","13.151","","20.4388","0.0004","8.5602","0.0002","90","","90","","90","","2300.9","0.07","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H16 Cd O7 -","- C8 H14 Cd O7 -","- C64 H112 Cd8 O56 -","8","1","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0373","0.0309","","","0.067","0.0705","","","","","","1.19","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7007026","17.4586","0.0014","12.1644","0.001","16.7311","0.0014","90","","90","","90","","3553.2","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H32 As2 Au2 Cl2 -","- C38 H32 As2 Au2 Cl2 -","- C152 H128 As8 Au8 Cl8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0309","0.0237","","","0.0564","0.0603","","","","","","1.028","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007027","17.6413","0.0012","12.2384","0.0008","16.736","0.0011","90","","90","","90","","3613.3","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H32 As2 Au2 Br2 -","- C38 H32 As2 Au2 Br2 -","- C152 H128 As8 Au8 Br8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0357","0.0262","","","0.0622","0.0665","","","","","","1.034","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007028","17.8668","0.0012","12.461","0.0009","16.7927","0.0012","90","","90","","90","","3738.7","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H32 As2 Au2 I2 -","- C38 H32 As2 Au2 I2 -","- C152 H128 As8 Au8 I8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0413","0.0307","","","0.0664","0.0707","","","","","","1.037","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007108","36.7531","0.0015","37.8287","0.0016","14.935","0.0007","90","","90","","90","","20764.5","1.6","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C107 H84 F24 N16 Ni2 P4 -","- C107 H84 F24 N16 Ni2 P4 -","- C856 H672 F192 N128 Ni16 P32 -","8","1","","Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.","Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2635","2642","10.1039/b517643c","","","1.54178","CuKα","","0.1626","0.0734","","","0.1519","0.1962","","","","","","1.007","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007245","26.6486","0.0004","10.1712","0.0001","21.9266","0.0003","90","","90","","90","","5943.17","0.13","123","2","123","2","","","","","","","THF","5","P c c n","-P 2ab 2ac","56","","","","- C70 H78 N4 O5 Sr -","- C70.008 H78 N4 O5 Sr -","- C280.032 H312 N16 O20 Sr4 -","4","0.5","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Konstas, Kristina; Junk, Peter C.","Synthesis and structural characterisation of heavy alkaline earth N,N'-bis(aryl)formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3360","3367","10.1039/b602210c","","x-ray","0.71073","MoKα","","0.1442","0.0783","","","0.1374","0.1606","","","","","","1.088","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007351","27.83","0.05","9.917","0.016","13.27","0.02","90","","90","","90","","3662","10","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C36 H28 Cl2 N6 O9 Zn -","- C36 H28 Cl2 N6 O9 Zn -","- C144 H112 Cl8 N24 O36 Zn4 -","4","0.5","","De La Durantaye, Louise; McCormick, Theresa; Liu, Xiang-Yang; Wang, Suning","Interaction of 2-(2'-pyridyl)benzimidazolyl derivative ligands with group 12 metal ions: coordination, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5675","5682","10.1039/b604047k","","","0.71073","MoKα","","0.2979","0.1321","","","0.334","0.4184","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007572","14.323","0.003","30.107","0.006","12.311","0.003","90","","90","","90","","5309","2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H6 O14 P2 W3 -","- C18 H6 O14 P2 W3 -","- C144 H48 O112 P16 W24 -","8","1","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).","Dalton transactions (Cambridge, England : 2003)","2006","","31","3733","3735","10.1039/b607489h","","","0.71073","MoKα","","0.0343","0.0269","","","0.05","0.0518","","","","","","1.097","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007610","11.2223","0.0002","13.0825","0.0003","19.4125","0.0004","90","","90","","90","","2850.06","0.1","173","2","173","2","","","","","","","synthesis as described","3","P c c n","-P 2ab 2ac","56","['C6H3iPr2NHCHCPhCHNC6H3iPr2]","","","- C33 H42 N2 -","- C33 H42 N2 -","- C132 H168 N8 -","4","0.5","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0751","0.0575","","","0.1328","0.1423","","","","","","1.09","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007738","20.973","0.001","29.544","0.001","17.798","0.001","90","","90","","90","","11028.1","0.9","198","2","198","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H52 Ag2 Cl2 N12 O10 -","- C56 H48 Ag2 Cl2 N12 O10 -","- C448 H384 Ag16 Cl16 N96 O80 -","8","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.1161","0.0609","","","0.1363","0.1656","","","","","","1.056","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007745","10.939","0.0003","15.932","0.0004","23.58","0.0006","90","","90","","90","","4109.53","0.19","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C46 H46 O4 P2 Pd2 -","- C46 H46 O4 P2 Pd2 -","- C184 H184 O16 P8 Pd8 -","4","0.5","","Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio","Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5536","5541","10.1039/b609829k","","","0.71073","MoKα","","0.1598","0.0958","","","0.2549","0.3301","","","","","","1.048","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7008093","10.7048","0.0017","16.38","0.003","28.722","0.005","90","","90","","90","","5036.2","1.5","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C50 H70 Al2 O4 S4 -","- C50 H70 Al2 O4 S4 -","- C200 H280 Al8 O16 S16 -","4","0.5","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0464","0.041","","","0.1057","0.1094","","","","","","1.067","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008701","28.631","0.006","16.612","0.003","17.346","0.004","90","","90","","90","","8250","3","180","2","180","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H33 F12 Gd N2 O11 V -","- C33 H33 F12 Gd N2 O11 V -","- C264 H264 F96 Gd8 N16 O88 V8 -","8","1","","Costes, Jean-Pierre; Shova, Sergiu; Juan, Juan Modesto Clemente; Suet, Nicolas","The first example of a hetero-tetranuclear [(VO)Gd](2) complex: synthesis, crystal structure and magnetic properties of [VOLGd(hfa)(2)CH(3)OH](2).2CH(3)OH.2(CH(3))(2)CO.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2830","2832","10.1039/b506102d","","","0.71073","MoKα","","0.0624","0.0336","","","0.0587","0.0664","","","","","","0.977","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008763","18.1584","0.0002","22.2622","0.0004","22.3088","0.0003","90","","90","","90","","9018.2","0.2","273","2","273","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C45 H85.5 Cu3.5 N9 Na1.5 O63 P W10.5 -","- C40 H32 Cu3.56 N8 O46 P W10.56 -","- C160 H128 Cu14.24 N32 O184 P4 W42.24 -","4","0.5","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis","Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3913","3920","10.1039/b507124k","","","0.71073","MoKα","","0.2066","0.0968","","","0.2298","0.2802","","","","","","1.052","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008835","19.74","0.004","8.8681","0.0018","16.55","0.003","90","","90","","90","","2897.2","1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C32 H40 B2 N4 -","- C32 H40 B2 N4 -","- C128 H160 B8 N16 -","4","0.5","","Baber, R. Angharad; Charmant, Jonathan P. H.; Cook, Alistair J. R.; Farthing, Natalie E.; Haddow, Mairi F.; Norman, Nicholas C.; Orpen, A. Guy; Russell, Christopher A.; Slattery, John M.","Primary amido substituted diborane4 compounds and imidodiborate4 anions.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3137","3139","10.1039/b509653g","","","0.71073","MoKα","","0.079","0.0545","","","0.1107","0.1221","","","","","","1.059","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008887","16.888","0.002","19.831","0.003","13.2864","0.0016","90","","90","","90","","4449.7","1","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H27 Cl2 N4 Ni O8.5 S2 -","- C12 H26 Cl2 N4 Ni O8.5 S2 -","- C96 H208 Cl16 N32 Ni8 O68 S16 -","8","1","","Pavlishchuk, Vitaly V.; Kolotilov, Sergey V.; Addison, Anthony W.; Butcher, Raymond J.; Sinn, Ekkehard","Nickel(II) complexes with dithiadiiminoamine and dithiabis(thiosemicarbazone) ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","3","335","","10.1039/a906294g","","","0.71073","MoKα","","0.1116","0.0546","","","0.1092","0.1329","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009176","26.494","0.0017","12.4426","0.0008","22.046","0.0014","90","","90","","90","","7267.6","0.8","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C35 H41 Cl N4 O9 Pb -","- C35 H41 Cl N4 O9 Pb -","- C280 H328 Cl8 N32 O72 Pb8 -","8","1","","Atkinson, Ian M.; Chartres, Jy D.; Everett, Grover W.; Ji, Xue-Kui; Lindoy, Leonard F.; Matthews, Owen A.; Meehan, George V.; Skelton, Brian W.; Wei, Gang; White, Allan H.","Macrocyclic ligand design. Interaction of selected transition and post-transition metal ions with a new N2O2-donor macrocycle incorporating a pyridylmethyl pendant arm","Journal of the Chemical Society, Dalton Transactions","2000","","7","1191","","10.1039/a909102e","","","0.71073","MoKα","","0.077","0.033","","0.045","","0.04","","","1.104","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009363","10.106","0.002","10.656","0.002","19.655","0.004","90","","90","","90","","2116.6","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H30 N2 Pt2 S4 -","- C12 H30 N2 Pt2 S4 -","- C48 H120 N8 Pt8 S16 -","4","0.5","","Heard, Peter J.; Kite, Kenneth; Nielsen, Julie Søgaard; Tocher, Derek A.","Trimethylplatinum(IV) complexes of dithiocarbamato ligands: an experimental NMR study on the barrier to C‒N bond rotation","Journal of the Chemical Society, Dalton Transactions","2000","","8","1349","","10.1039/b000264j","","","0.71073","MoKα","","0.0774","0.0522","","0.1846","0.1322","","","","1.134","1.033","1.033","","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009676","11.8793","0.0011","13.5078","0.0012","8.1681","0.0007","90","","90","","90","","1310.7","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Co N2 O8 P2 -","- C6 H18 Co N2 O8 P2 -","- C24 H72 Co4 N8 O32 P8 -","4","0.5","","Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.","Simple linear-chain cobalt phosphates","Journal of the Chemical Society, Dalton Transactions","2000","","15","2595","","10.1039/b002653k","","","0.71073","MoKα","","0.0431","0.0261","","0.0695","0.065","","","","1.037","1.092","1.092","","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7010434","11.9325","0.0002","17.6619","0.0002","21.2455","0.0003","90","","90","","90","","4477.5","0.11","173","","173","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C44 H56 Ag B F4 O11 P2 -","- C44 H52 Ag0.5 B F4 O11 P2 -","- C176 H208 Ag2 B4 F16 O44 P8 -","4","0.5","","Jeunesse, Catherine; Dieleman, Cedric; Steyer, Stéphane; Matt, Dominique","Calix[4]arene-derived diphosphines, diphosphinites and diphosphites as chelating ligands for transition metal ions. Encapsulation of silver(I) in a calix-crown diphosphite","Journal of the Chemical Society, Dalton Transactions","2001","","6","881","","10.1039/b009005k","","","0.71073","Mo-Kα","","0.066","0.049","","0.101","","0.062","","","1.757","","","1.158","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010879","21.073","0.003","8.9637","0.001","16.5679","0.0015","90","","90","","90","","3129.5","0.6","150","","150","","","","","","","","see text","5","P c c n","-P 2ab 2ac","56","","","","- C31.8 H41.4 Mn N5 O4.4 -","- C31.802 H41.404 Mn N5 O4.4 -","- C127.208 H165.616 Mn4 N20 O17.6 -","4","0.5","","Warzeska, Sabine T.; Miccichè, Fabrizio; Mimmi, M. Chiara; Bouwman, Elisabeth; Kooijman, Huub; Spek, Anthony L.; Reedijk, Jan","Tuning the coordination mode in mononuclear manganese complexes by changing the steric bulk of the carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","23","3507","","10.1039/b104975p","","","0.71073","MoKa","","0.0729","0.0591","","","0.1563","0.1678","","","","","","1.068","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010954","11.805","0.002","13.477","0.003","21.458","0.004","90","","90","","90","","3413.9","1.1","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(NEt4)2[Pd(dmit)2]","","","- C22 H40 N2 Pd S10 -","- C22 H40 N2 Pd S10 -","- C88 H160 N8 Pd4 S40 -","4","0.5","","Fang Qi; Thomas C. W. Mak; Zhou Zhong-Yuan; Yang Qing-Chuan; Liu Zhi; Yu Wen-Tao; Zhu Dao-Ben; Jiang Min-Hua","Syntheses and crystal structures of the molecular conductors Z[Pd(dmit)2]2{Z = (Me3NEt)+, (MeNEt3)+, (NEt4)+} and their precursors Z2[Pd(dmit)2]","J. Chem. Soc., Dalton Trans.","2002","","7","1377","1385","10.1039/b105854c","","","0.71073","MoKα","","0.1247","0.0582","","","0.1614","0.1994","","","","","","0.978","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00",""
"7011327","27.9616","0.0015","33.7851","0.0017","10.9883","0.0005","90","","90","","90","","10380.5","0.9","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H62.5 Cl3 N8.5 O16 Zn2 -","- C40.004 H57 Cl2.997 N8.5 O15.998 Zn2 -","- C320.032 H456 Cl23.976 N68 O127.984 Zn16 -","8","1","","Yann Dussart; Charlie Harding; Pia Dalgaard; Christine McKenzie; Renuka Kadirvelraj; Vickie McKee; Jane Nelson","Cascade chemistry in azacryptand cages: bridging carbonates and methylcarbonates","J. Chem. Soc., Dalton Trans.","2002","","8","1704","1713","10.1039/b110449g","","","0.6885","Synchrotron","","0.1084","0.0721","","","0.2073","0.2271","","","","","","0.935","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011852","11.675","0.0004","19.4612","0.0005","7.3249","0.0003","90","","90","","90","","1664.29","0.1","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14.5 H11 Co N8 O -","- C14.5 H8 Co N8 O -","- C58 H32 Co4 N32 O4 -","4","0.5","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/","Journal of the Chemical Society, Dalton Transactions","2002","","19","3712","","10.1039/b205007b","","","0.71073","MoKα","","0.0685","0.0384","","","0.0966","0.1089","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012396","8.6587","0.0002","12.7664","0.0002","21.9866","0.0004","90","","90","","90","","2430.41","0.08","150","","150","","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","","","- C18 H26 Cl N8 O2 Re S2 -","- C18 H26 Cl0.5 N8 O2 Re0.5 S2 -","- C72 H104 Cl2 N32 O8 Re2 S8 -","4","0.5","","Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Woollard-Shore, John","Synthesis and characterisation of new homoleptic rhenium thiosemicarbazone complexes","Dalton Transactions","2003","","4","748","","10.1039/b210540n","","","0.71073","MoKα","","","0.0197","","","","0.0259","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012536","23.576","0.003","7.0362","0.001","16.6857","0.0018","90","","90","","90","","2767.9","0.6","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C28 H26 Au2 N2 P2 S2 -","- C28 H26 Au2 N2 P2 S2 -","- C112 H104 Au8 N8 P8 S8 -","4","0.5","","Crespo, Olga; Fernández, Eduardo J.; Jones, Peter G.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pérez, Javier","Coordination modes of diphenylphosphinothioformamide in its neutral and deprotonated forms at gold(i)","Dalton Transactions","2003","","6","1076","","10.1039/b211865c","","","0.71073","MoKα","","0.0432","0.0281","","","0.0622","0.0652","","","","","","0.906","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012611","6.378","0.001","12.938","0.002","21.558","0.003","90","","90","","90","","1778.9","0.5","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H22 Co N2 O12 -","- C12 H22 Co N2 O12 -","- C48 H88 Co4 N8 O48 -","4","0.5","","Tynan, Eithne; Jensen, Paul; Kruger, Paul E.; Lees, Anthea C.; Nieuwenhuyzen, Mark","Coordination and hydrogen bonded networks featuring 4,4'-dicarboxy-2,2'-bipyridine (H2dcbp): structural characterisation of H2dcbp, [Co(dcbp)(H2O)4]·4H2O, and {[Cu(dcbp)(H2O)2]·2H2O}n","Dalton Transactions","2003","","7","1223","","10.1039/b212318e","","","0.71073","MoKα","","0.0572","0.0413","","","0.0973","0.1022","","","","","","1.024","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012630","15.8694","0.0003","17.6413","0.0003","26.4893","0.0005","90","","90","","90","","7415.9","0.2","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C88 H86 Fe N6 O2 P3 -","- C88 H86 Fe N6 O2 P3 -","- C352 H344 Fe4 N24 O8 P12 -","4","0.5","","Dean, Philip A. W.; Fisher, Keith; Craig, Don; Jennings, Michael; Ohene-Fianko, Ohenewa; Scudder, Marcia; Willett, Gary; Dance, Ian","Nanoclusters of phenylphosphonium cations and cyanoferrate anions in the gas phase, and the principles of association of these ions in crystals","Dalton Transactions","2003","","8","1520","","10.1039/b212488b","","","0.71073","MoKα","","0.0899","0.0646","","","0.1768","0.1949","","","","","","1.037","","","","has coordinates,has disorder","179830","2020-10-21","18:00:00",""
"7012640","20.0212","0.0006","9.8738","0.0002","16.6859","0.0005","90","","90","","90","","3298.56","0.15","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H58 Mg O4 -","- C36 H58 Mg O4 -","- C144 H232 Mg4 O16 -","4","0.5","","Henderson, Kenneth W.; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Sherrington, David C.","Magnesium aryloxides: synthesis, structure, solution behavior and magnesiate ion formation","Dalton Transactions","2003","","7","1365","","10.1039/b212608g","","","0.71073","MoKα","","0.0832","0.0437","","","0.0893","0.1002","","","","","","1.025","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013132","19.676","0.0012","15.4393","0.0008","17.8833","0.0008","90","","90","","90","","5432.7","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C56 H80 Mn O4 S2 -","- C56 H80 Mn O4 S2 -","- C224 H320 Mn4 O16 S8 -","4","0.5","","Tapan Kanti Paine; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Manganese complexes of mixed O, X, O-donor ligands (X = S or Se): synthesis, characterization and catalytic reactivity","Dalton Trans.","2003","","15","3136","3144","10.1039/b304765m","","","0.71073","MoKα","","0.0947","0.0522","","0.1016","0.0866","","","","1.027","1.088","1.088","","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7014559","19.7982","0.0019","20.434","0.002","26.698","0.003","90","","90","","90","","10800.8","1.9","291","2","291","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C70 H118 B2 Co2 Cu2 Fe2 N18 O20 P6 -","- C70 H118 B2 Co2 Cu2 Fe2 N18 O20 P6 -","- C280 H472 B8 Co8 Cu8 Fe8 N72 O80 P24 -","4","0.5","","Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2204","2212","10.1039/c0dt00954g","","","0.71073","MoKα","","0.0796","0.0514","","","0.1271","0.1418","","","","","","1.063","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7015677","34.972","0.0012","9.941","0.0005","18.1638","0.0008","90","","90","","90","","6314.8","0.5","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28 H24 Br4 Fe Hg2 N P -","- C28 H24 Br4 Fe Hg2 N P -","- C224 H192 Br32 Fe8 Hg16 N8 P8 -","8","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0681","0.0548","","","0.136","0.1469","","","","","","1.067","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7016734","11.227","0.005","12.833","0.005","15.121","0.005","90","0.005","90","0.005","90","0.005","2178.6","1.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H20 N4 Ni O4 -","- C26 H20 N4 Ni O4 -","- C104 H80 N16 Ni4 O16 -","4","0.5","","Pandey, Sharmila; Das, Partha Pratim; Singh, Akhilesh Kumar; Mukherjee, Rabindranath","Cobalt(ii), nickel(ii) and copper(ii) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and M(III)-M(II) redox potential.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10758","10768","10.1039/c1dt10661a","","","0.71069","MoKα","","0.0735","0.0472","","","0.1211","0.1586","","","","","","0.88","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016834","14.774","0.005","15.85","0.005","23.734","0.005","90","","90","","90","","5558","3","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","((1,10-phenanthroline)di(5-amino-1-cyclopropyl-7-((3S,5R)-3,5- dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3- carboxylato-kappa$2!O,O)zinc(ii)) bis methanol solvate","[(1,10-phenanthroline)di(5-amino-1-cyclopropyl-7-((3S,5R)-3,5- dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylato- κ^2^O,O)zinc(II)] bis methanol solvate","","- C54 H66 F4 N10 O10 Zn -","- C54 H66 F4 N10 O10 Zn -","- C216 H264 F16 N40 O40 Zn4 -","4","0.5","","Tarushi, Alketa; Polatoglou, Eleni; Kljun, Jakob; Turel, Iztok; Psomas, George; Kessissoglou, Dimitris P.","Interaction of Zn(ii) with quinolone drugs: Structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9461","9473","10.1039/c1dt10870k","","","0.71073","MoKα","","0.0848","0.0517","","","0.1255","0.1457","","","","","","1.051","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7017104","34.0568","0.0014","14.0658","0.0006","8.9452","0.0004","90","","90","","90","","4285.1","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H35 P Ru -","- C23 H35 P Ru -","- C184 H280 P8 Ru8 -","8","1","","Glöckner, Andreas; Arias, Oscar; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Facile η(5)-η(3) hapticity interconversion in pentamethylcyclopentadienyl ruthenium(ii) complexes containing a phenylmethallyl (""open indenyl"") ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11511","11518","10.1039/c1dt11436k","","","0.71073","MoKα","","0.0499","0.0246","","","0.0254","0.0265","","","","","","0.849","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017345","28.6227","0.0009","21.775","0.0007","8.285","0.0003","90","","90","","90","","5163.7","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C102 H84 Fe4 N24 O15 -","- C102 H84 Fe4 N24 O15 -","- C204 H168 Fe8 N48 O30 -","2","0.25","","Herchel, Radovan; Pavelek, Lubomír; Trávníček, Zdeněk","Dinuclear and 1D iron(iii) Schiff base complexes bridged by 4-salicylideneamino-1,2,4-triazolate: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11896","11903","10.1039/c1dt11127b","","","0.71073","MoKα","","0.0659","0.0479","","","0.1611","0.1686","","","","","","1.062","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017955","10.1989","0.0019","35.067","0.007","12.943","0.003","90","","90","","90","","4629","1.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15 H40 Cu N4 O10.5 P -","- C15 H40 Cu N4 O10.5 P -","- C120 H320 Cu8 N32 O84 P8 -","8","1","","Ferdani, Riccardo; Stigers, Dannon J.; Fiamengo, Ashley L.; Wei, Lihui; Li, Barbara T. Y.; Golen, James A.; Rheingold, Arnold L.; Weisman, Gary R.; Wong, Edward H.; Anderson, Carolyn J.","Synthesis, Cu(ii) complexation, (64)Cu-labeling and biological evaluation of cross-bridged cyclam chelators with phosphonate pendant arms.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1938","1950","10.1039/c1dt11743b","","","0.71073","MoKα","","0.0568","0.0484","","","0.135","0.1392","","","","","","1.157","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7018028","27.1792","0.0009","10.8631","0.0004","24.8914","0.0008","90","","90","","90","","7349.2","0.4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C63 H62 Ag5 Cl3 N16 O14 P2 -","- C63 H60 Ag5 Cl3 N16 O14 P2 -","- C252 H240 Ag20 Cl12 N64 O56 P8 -","4","0.5","","Gupta, Arvind K.; Chipem, Francis A. S.; Boomishankar, Ramamoorthy","A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)(3)] and an imido phosphinate ion [P(Npy)(2)(NHpy)(2)](-) in its Ag(i) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1848","1853","10.1039/c1dt12004b","","","0.71073","MoKα","","0.0549","0.0402","","","0.1014","0.1183","","","","","","1.076","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018383","29.3161","0.0003","30.8263","0.0004","14.8707","0.0002","90","","90","","90","","13438.8","0.3","123","1","123","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","[Dy8(OH)6(OMe)6(cmnm)10(ccnm)2(H2O)2(MeOH)2].2H2O.6MeOH","[Bis(aqua)bis(carbamoylcyanonitrosomethanido)decakis(cyano(imino (methoxy)methyl)nitrosomethanido)bis(methanol)bis(methoxy)bis (hydroxy)octadysprosium(III)].Hexamethanol.Dihydrate","","- C60 H108 Dy8 N36 O48 -","- C60 H90 Dy8 N36 O48 -","- C240 H360 Dy32 N144 O192 -","4","0.5","","Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","In situ ligand formation in the synthesis of an octanuclear dysprosium 'double cubane' cluster displaying single molecule magnet features.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3751","3757","10.1039/c2dt11905f","","","0.71073","MoKα","","0.0813","0.0529","","","0.1353","0.145","","","","","","1.06","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7019270","27.185","0.005","12.1","0.002","20.605","0.004","90","","90","","90","","6778","2","120","2","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H25 N O10 P Tb -","- C24 H19 N O10 P Tb -","- C192 H152 N8 O80 P8 Tb8 -","8","1","","Ibarra, Ilich A.; Hesterberg, Travis W.; Holliday, Bradley J.; Lynch, Vincent M.; Humphrey, Simon M.","Gas sorption and luminescence properties of a terbium(iii)-phosphine oxide coordination material with two-dimensional pore topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8003","8009","10.1039/c2dt30138e","","","0.71075","MoKα","","0.1513","0.0795","","","0.1603","0.1894","","","","","","1.059","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019434","11.0058","0.0005","19.6503","0.0009","16.5196","0.0009","90","","90","","90","","3572.6","0.3","173.2","","173.2","","","","","","","","","7","P c c n","-P 2ab 2ac","56","nonoHaCl","nonoHaCl","","- C24 H36 Cl6 Ga3 Li N4 O4 -","- C24 H36 Cl6 Ga3 Li N4 O4 -","- C96 H144 Cl24 Ga12 Li4 N16 O16 -","4","0.5","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","0.7107","MoKα","","0.0558","0.0367","","","0.0805","0.0894","","","","","","1.061","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019477","19.347","0.007","14.704","0.005","16.562","0.006","90","","90","","90","","4712","3","85","2","85","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H26 N6 O6 Ru -","- C20 H26 N6 O6 Ru -","- C160 H208 N48 O48 Ru8 -","8","1","","Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai","Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8047","8059","10.1039/c2dt30464c","","","0.71073","MoKα","","0.0844","0.0599","","","0.1521","0.1684","","","","","","1.096","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019872","16.518","0.002","18.976","0.003","12.349","0.0017","90","","90","","90","","3870.7","0.9","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C17 H10 Fe2 N2 O6 S -","- C17 H10 Fe2 N2 O6 S -","- C136 H80 Fe16 N16 O48 S8 -","8","1","","Long, Li; Xiao, Zhiyin; Zampella, Giuseppe; Wei, Zhenhong; De Gioia, Luca; Liu, Xiaoming","The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9482","9492","10.1039/c2dt30798g","","","0.71073","MoKα","","0.0742","0.0472","","","0.1224","0.141","","","","","","1.04","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019914","21.2892","0.0012","22.0626","0.001","16.7364","0.0008","90","","90","","90","","7861","0.7","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C51 H119 Mo8 N5 O27 -","- C51 H112 Mo8 N5 O27 -","- C204 H448 Mo32 N20 O108 -","4","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0391","0.0276","","","0.061","0.0688","","","","","","1.059","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7020217","13.0453","0.0011","13.9325","0.0012","8.0331","0.0007","90","","90","","90","","1460","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Uranyl bis-glutarimidedioxime monohydrate","Uranyl bis-glutarimidedioxime monohydrate","","- C10 H18 N6 O7 U -","- C10 H18 N6 O7 U -","- C40 H72 N24 O28 U4 -","4","0.5","","Tian, Guoxin; Teat, Simon J.; Zhang, Zhiyong; Rao, Linfeng","Sequestering uranium from seawater: binding strength and modes of uranyl complexes with glutarimidedioxime.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11579","11586","10.1039/c2dt30978e","","","0.7749","synchrotron","","0.0437","0.0258","","","0.0565","0.065","","","","","","1.038","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020393","13.042","0.003","28.201","0.006","8.677","0.0017","90","","90","","90","","3191.4","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H32 Cu2 N2 O9 -","- C26 H32 Cu2 N2 O9 -","- C104 H128 Cu8 N8 O36 -","4","0.5","","Hwang, In Hong; Bae, Jeong Mi; Kim, Wan-Seok; Jo, Young Dan; Kim, Cheal; Kim, Youngmee; Kim, Sung-Jin; Huh, Seong","Bifunctional 3D Cu-MOFs containing glutarates and bipyridyl ligands: selective CO(2) sorption and heterogeneous catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12759","12765","10.1039/c2dt31427d","","","0.71073","MoKα","","0.0763","0.0476","","","0.1236","0.1388","","","","","","1.021","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020565","12.4047","0.0001","18.6551","0.0002","24.0651","0.0003","90","","90","","90","","5568.93","0.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C64 H70 Co2 N10 O4 -","- C64 H70 Co2 N10 O4 -","- C256 H280 Co8 N40 O16 -","4","0.5","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","1.5418","CuKα","","0.0565","0.0452","","","0.1164","0.1252","","","","","","1.028","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020637","33.945","0.002","25.8578","0.0018","28.822","0.002","90","","90","","90","","25298","3","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C129 H136 Ag F15 Ir4 N16 O19 S5 -","- C116 H104 Ag F12 Ir4 N16 O13 S4 -","- C928 H832 Ag8 F96 Ir32 N128 O104 S32 -","8","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.1257","0.0723","","","0.1869","0.2118","","","","","","1","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020638","34.2162","0.0008","25.98","0.0005","28.8348","0.0006","90","","90","","90","","25632.3","0.9","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C117 H106 Ag F15 N16 O16 Rh4 S5 -","- C114 H104 Ag F6 N16 O7 Rh4 S2 -","- C912 H832 Ag8 F48 N128 O56 Rh32 S16 -","8","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","1.54178","CuKα","","0.1392","0.0976","","","0.2603","0.2919","","","","","","0.965","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020699","22.493","0.003","18.848","0.002","21.768","0.003","90","","90","","90","","9229","2","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C62 H60 Cu2 N8 Ni30 O34 -","- C62 H60 Cu2 N8 Ni30 O34 -","- C248 H240 Cu8 N32 Ni120 O136 -","4","0.5","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.181","0.0704","","","0.1611","0.2407","","","","","","1.059","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020778","19.7735","0.0002","9.3333","0.0001","17.027","0.0002","90","","90","","90","","3142.37","0.06","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-Dipropyl-1H-imidazol-3-ium tetrachloroaurate","","- C9 H17 Au Cl4 N2 -","- C9 H17 Au Cl4 N2 -","- C72 H136 Au8 Cl32 N16 -","8","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.","Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1385","1393","10.1039/c2dt31984e","","","0.71073","MoKα","","0.0738","0.055","","","0.1597","0.1728","","","","","","1.051","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020993","23.946","0.006","16.623","0.004","20.508","0.005","90","","90","","90","","8163","3","296","2","296","2","","","","","","","crystallized from 1-octanol","5","P c c n","-P 2ab 2ac","56","[Eu(CyMe4-BTBP)2-kappa2-NO3](NO3)2.C8H17OH","bis(CyMe4-BTBP)europium(III) nitrate 1-octanol solvate","","- C72 H94 Eu N19 O10 -","- C72 H92 Eu N19 O10 -","- C288 H368 Eu4 N76 O40 -","4","0.5","","Lundberg, Daniel; Persson, Ingmar; Ekberg, Christian","Crystal structure of [Eu(CyMe(4)-BTBP)(2)κ(2)O,O'-(NO(3))](NO(3))(2)·n-C(8)H(17)OH and its structure in 1-octanol solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3767","3770","10.1039/c2dt32317f","","x-ray","0.71073","MoKα","","0.0656","0.0431","","","0.1265","0.147","","","","","","1.053","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7021056","34.292","0.018","9.563","0.005","11.407","0.006","90","","90","","90","","3741","3","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H27 Cu N3 O8 -","- C15 H27 Cu N3 O8 -","- C120 H216 Cu8 N24 O64 -","8","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.71073","MoKα","","0.092","0.0748","","","0.1688","0.1842","","","","","","1.307","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021190","7.685","0.003","24.297","0.008","30.344","0.01","90","","90","","90","","5666","3","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C31 H20 Au F4 N -","- C31 H20 Au F4 N -","- C248 H160 Au8 F32 N8 -","8","1","","Lentijo, Sergio; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo","Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6353","6365","10.1039/c3dt32843k","","","0.71073","MoKα","","0.1471","0.0657","","","0.1679","0.2173","","","","","","1.075","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021389","16.1861","0.0004","8.5394","0.0002","20.0976","0.0007","90","","90","","90","","2777.88","0.14","","","300","","","","","","","","","6","P c c n","-P 2ab 2ac","56","ZBP-Rb","","","- C12 H10.88 O20.44 P6 Rb2 Zn5 -","- C12 H6 O20.444 P6 Rb2 Zn5 -","- C48 H24 O81.776 P24 Rb8 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.99752","synchrotron","","0.01224","","","","","","0.01348","0.01745","1.7324","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7022609","7.1874","0.0011","14.651","0.002","23.702","0.003","90","","90","","90","","2495.9","0.6","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H11 F3 N2 O -","- C14 H11 F3 N2 O -","- C112 H88 F24 N16 O8 -","8","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.0797","0.0522","","","0.1259","0.1426","","","","","","1.045","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022768","18.747","0.003","28.254","0.01","13.263","0.002","90","","90","","90","","7025","3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","bis(1,4,7-trioxa-10,13-dithiacyclopentadecane)lead(II) tetrafluoroborate dichloromethane solvate","","- C21.22 H42.44 B2 Cl2.44 F8 O6 Pb S4 -","- C21 H40 B2 Cl2.44 F8 O6 Pb S4 -","- C168 H320 B16 Cl19.52 F64 O48 Pb8 S32 -","8","1","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0714","0.0462","","","0.0957","0.1068","","","","","","1.027","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022826","31.874","0.005","11.337","0.005","21.874","0.005","90","","90","","90","","7904","4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C69 H50 Cd Cl2 N12 O18 P6 -","- C69 H50 Cd Cl2 N12 O18 P6 -","- C276 H200 Cd4 Cl8 N48 O72 P24 -","4","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MOKα","","0.0911","0.0741","","","0.209","0.2224","","","","","","1.051","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022918","10.4697","0.0007","18.1726","0.0012","14.8982","0.001","90","","90","","90","","2834.6","0.3","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H30 Al2 N2 O2 -","- C30 H30 Al2 N2 O2 -","- C120 H120 Al8 N8 O8 -","4","0.5","","Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng","Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12346","12353","10.1039/c3dt50264c","","","0.71073","MoKα","","0.0735","0.0463","","","0.1188","0.1347","","","","","","1.058","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7023732","30.418","0.006","9.127","0.0018","15.996","0.003","90","","90","","90","","4440.9","1.5","298","","298","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H20 B N O S -","- C29 H20 B N O S -","- C232 H160 B8 N8 O8 S8 -","8","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.1608","0.048","","0.14","0.0749","0.14","","","","","","1.1252","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024293","11.1616","0.0009","11.9919","0.0009","15.6096","0.001","90","","90","","90","","2089.3","0.3","85","2","85","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H26 Cl2 F2 N2 Pd -","- C19 H26 Cl2 F2 N2 Pd -","- C76 H104 Cl8 F8 N8 Pd4 -","4","0.5","","Ball, Nicholas D.; Kampf, Jeff W.; Sanford, Melanie S.","Synthesis and reactivity of palladium(II) fluoride complexes containing nitrogen-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","632","640","10.1039/b914426a","","","0.71073","MoKα","","0.0507","0.0386","","","0.1032","0.1102","","","","","","1.095","","","","has coordinates,has disorder","179947","2020-10-21","18:00:00",""
"7024505","17.5991","0.001","10.7094","0.0005","14.2861","0.0007","90","","90","","90","","2692.6","0.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- Ag2 I4 O16 V2 -","- Ag2 I4 O16 V2 -","- Ag16 I32 O128 V16 -","8","1","","Sun, Chuan-Fu; Hu, Chun-Li; Kong, Fang; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses and crystal structures of four new silver(I) iodates with d(0)-transition metal cations.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1473","1479","10.1039/b917907k","","","0.71073","MoKα","","0.0451","0.043","","","0.1131","0.1151","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025039","17.819","0.003","22.858","0.003","12.7497","0.0019","90","","90","","90","","5193","1.4","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","tri(tretbutyl)decylphosphonium tetrafluoroborate","tri(tretbutyl)decylphosphonium tetrafluoroborate","","- C22 H48 B F4 P -","- C22 H48 B F4 P -","- C176 H384 B8 F32 P8 -","8","1","","Ermolaev, Vadim; Miluykov, Vasiliy; Rizvanov, Ildar; Krivolapov, Dmitriy; Zvereva, Elena; Katsyuba, Sergey; Sinyashin, Oleg; Schmutzler, Reinhard","Phosphonium ionic liquids based on bulky phosphines: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5564","5571","10.1039/b924636c","","x-ray","0.71073","MoKα","","0.2376","0.0974","","","0.1567","0.2099","","","","","","0.956","","","","has coordinates,has disorder","179955","2020-10-21","18:00:00",""
"7025056","16.6611","0.0003","20.3193","0.0007","21.1892","0.0002","90","","90","","90","","7173.4","0.3","110","2","110","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C35 H31 B Cl2 F4 N2 P2 Pt Sn -","- C35 H31 B Cl2 F4 N2 P2 Pt Sn -","- C280 H248 B8 Cl16 F32 N16 P16 Pt8 Sn8 -","8","1","","Cabon, Yves; Kleijn, Henk; Siegler, Maxime A.; Spek, Anthony L.; Klein Gebbink, Robertus J. M.; Deelman, Berth-Jan","Dichlorostannylene complexes of group 10 metals, a unique bonding mode stabilized by bridging 2-pyridyldiphenylphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2423","2427","10.1039/b924783c","","","0.71073","MoKα","","0.0512","0.0306","","","0.0627","0.07","","","","","","1.02","","","","has coordinates,has disorder","179955","2020-10-21","18:00:00",""
"7025547","18.4609","0.001","18.6553","0.001","8.1387","0.0004","90","","90","","90","","2802.9","0.3","200","2","200","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H31 Cu3 O20.5 -","- C17 H18 Cu3 O20.52 -","- C68 H72 Cu12 O82.08 -","4","0.5","","Su, Shengqun; Guo, Zhiyong; Li, Guanghua; Deng, Ruiping; Song, Shuyan; Qin, Chao; Pan, Chengling; Guo, Huadong; Cao, Feng; Wang, Song; Zhang, Hongjie","Tetracarboxylate-based Co(II), Ni(II) and Cu(II) three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9123","9130","10.1039/c001655a","","","0.71073","MoKα","","0.0544","0.0446","","","0.1272","0.1354","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025766","17.878","0.006","19.052","0.006","13.392","0.004","90","","90","","90","","4561","3","93","2","93","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C21 H32 Cl Ir N2 O2 -","- C21 H32 Cl Ir N2 O2 -","- C168 H256 Cl8 Ir8 N16 O16 -","8","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Flexible cycloalkyl-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3923","3930","10.1039/c003214j","","","0.71073","MoKα","","0.133","0.0821","","","0.1559","0.1745","","","","","","1.118","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025813","20.564","0.0005","44.936","0.0004","14.288","0.0013","90","","90","","90","","13203","1.2","150","0.1","150","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","(tBu2MeSi)4Si4RuCpK","(tBu2MeSi)4Si4RuCpK","","- C54 H115 K O2 Ru Si8 -","- C54 H115 K O2 Ru Si8 -","- C432 H920 K8 O16 Ru8 Si64 -","8","1","","Lee, Vladimir Ya; Takanashi, Kazunori; Sekiguchi, Akira","A two-and-a-half-layer sandwich: potassium salt of anionic (η(4)-tetrasilacyclobutadiene)(η(5)-cyclopentadienyl)ruthenium.","Dalton transactions (Cambridge, England : 2003)","2010","39","39","9229","9231","10.1039/c0dt00009d","","","0.7107","MoKα","","0.1088","0.0639","","","0.147","0.1697","","","","","","1.019","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7026122","10.703","0.0004","12.714","0.0005","19.488","0.0007","90","","90","","90","","2651.89","0.17","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H36 Br Cu N2 -","- C27 H36 Br Cu N2 -","- C108 H144 Br4 Cu4 N8 -","4","0.5","","Díez-González, Silvia; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Stevens, Edwin D.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[(NHC)CuX] complexes: synthesis, characterization and catalytic activities in reduction reactions and Click chemistry. On the advantage of using well-defined catalytic systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7595","7606","10.1039/c0dt00218f","","","0.71073","MoKα","","0.0486","0.0352","","","0.0931","0.1056","","","","","","1.092","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026123","10.9153","0.0007","12.6813","0.0008","20.1285","0.0012","90","","90","","90","","2786.2","0.3","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(Cu(IPr)Cl)","","","- C27 H36 Cu I N2 -","- C27 H36 Cu I N2 -","- C108 H144 Cu4 I4 N8 -","4","0.5","","Díez-González, Silvia; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Stevens, Edwin D.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[(NHC)CuX] complexes: synthesis, characterization and catalytic activities in reduction reactions and Click chemistry. On the advantage of using well-defined catalytic systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7595","7606","10.1039/c0dt00218f","","","0.71073","MoKα","","0.0492","0.0416","","","0.1013","0.1054","","","","","","1.098","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026124","10.9969","0.0003","12.5666","0.0003","19.9092","0.0005","90","","90","","90","","2751.32","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Cu I N2 -","- C27 H38 Cu I N2 -","- C108 H152 Cu4 I4 N8 -","4","0.5","","Díez-González, Silvia; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Stevens, Edwin D.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[(NHC)CuX] complexes: synthesis, characterization and catalytic activities in reduction reactions and Click chemistry. On the advantage of using well-defined catalytic systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7595","7606","10.1039/c0dt00218f","","","0.71073","MoKα","","0.0481","0.0321","","","0.0818","0.089","","","","","","1.069","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026326","9.802","0.002","12.453","0.003","19.76","0.004","90","","90","","90","","2412","0.9","150","2","150","2","","","","","","","synthesised by authors","6","P c c n","-P 2ab 2ac","56","aja0607","bisbipyketone nickel","","- C21 H18 Cl2 N4 Ni O11 -","- C21 H18 Cl2 N4 Ni O11 -","- C84 H72 Cl8 N16 Ni4 O44 -","4","0.5","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Prabaharan, Ravi; Singh, Neha","The co-ordination chemistry of bis(2,2'-bipyrid-6'-yl)ketone with first row transition metals: the reversible interconversion of a mononuclear complex and a dinuclear hemiketal containing species.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8925","8936","10.1039/c0dt00344a","","x-ray","0.71073","MoKα","","0.0715","0.0465","","","0.0971","0.1059","","","","","","1.032","","","","has coordinates","283750","2023-05-14","07:24:19",""
"7026328","9.8506","0.0003","12.4696","0.0004","19.7856","0.0006","90","","90","","90","","2430.33","0.13","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","aja0723","","","- C21 H18 Cl2 N4 O11 Zn -","- C21 H18 Cl2 N4 O11 Zn -","- C84 H72 Cl8 N16 O44 Zn4 -","4","0.5","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Prabaharan, Ravi; Singh, Neha","The co-ordination chemistry of bis(2,2'-bipyrid-6'-yl)ketone with first row transition metals: the reversible interconversion of a mononuclear complex and a dinuclear hemiketal containing species.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8925","8936","10.1039/c0dt00344a","","","0.71073","MoKα","","0.0545","0.0394","","","0.0895","0.0956","","","","","","1.046","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026664","25.326","0.005","8.4517","0.0017","17.748","0.004","90","","90","","90","","3798.9","1.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Ag Dy N4 O10.5 -","- C18 H12 Ag Dy N4 O10.5 -","- C144 H96 Ag8 Dy8 N32 O84 -","8","1","","Sun, Ya-guang; Wu, Yong-li; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Guo, Mei-yan; Zhu, Ming-chang; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11383","11395","10.1039/c0dt00579g","","","0.71073","MoKα","","0.0436","0.0364","","","0.0884","0.0912","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026665","25.285","0.005","8.4759","0.0017","17.765","0.004","90","","90","","90","","3807.3","1.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H11 Ag Er N4 O10 -","- C18 H11 Ag Er N4 O10 -","- C144 H88 Ag8 Er8 N32 O80 -","8","1","","Sun, Ya-guang; Wu, Yong-li; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Guo, Mei-yan; Zhu, Ming-chang; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11383","11395","10.1039/c0dt00579g","","","0.71073","MoKα","","0.0325","0.03","","","0.0829","0.0846","","","","","","1.078","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026666","25.287","0.005","8.5525","0.0017","17.827","0.004","90","","90","","90","","3855.4","1.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H13 Ag Gd N4 O10.5 -","- C18 H13 Ag Gd N4 O10.5 -","- C144 H104 Ag8 Gd8 N32 O84 -","8","1","","Sun, Ya-guang; Wu, Yong-li; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Guo, Mei-yan; Zhu, Ming-chang; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11383","11395","10.1039/c0dt00579g","","","0.71073","MoKα","","0.0348","0.0323","","","0.0862","0.0878","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026667","8.5955","0.0017","25.363","0.005","17.822","0.004","90","","90","","90","","3885.3","1.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H13 Ag N4 O10.5 Sm -","- C18 H13 Ag N4 O10.5 Sm -","- C144 H104 Ag8 N32 O84 Sm8 -","8","1","","Sun, Ya-guang; Wu, Yong-li; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Guo, Mei-yan; Zhu, Ming-chang; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11383","11395","10.1039/c0dt00579g","","","0.71073","MoKα","","0.0263","0.0248","","","0.0613","0.0622","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026668","25.287","0.005","8.5525","0.0017","17.827","0.004","90","","90","","90","","3855.4","1.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H13 Ag N4 O10.5 Tb -","- C18 H13 Ag N4 O10.5 Tb -","- C144 H104 Ag8 N32 O84 Tb8 -","8","1","","Sun, Ya-guang; Wu, Yong-li; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Guo, Mei-yan; Zhu, Ming-chang; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11383","11395","10.1039/c0dt00579g","","","0.71073","MoKα","","0.0287","0.027","","","0.0731","0.0743","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026670","25.37","0.005","8.4884","0.0017","17.806","0.004","90","","90","","90","","3834.5","1.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H13 Ag Ho N4 O10.5 -","- C18 H13 Ag Ho N4 O10.5 -","- C144 H104 Ag8 Ho8 N32 O84 -","8","1","","Sun, Ya-guang; Wu, Yong-li; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Guo, Mei-yan; Zhu, Ming-chang; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11383","11395","10.1039/c0dt00579g","","","0.71073","MoKα","","0.0282","0.027","","","0.0667","0.0675","","","","","","1.129","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026810","18.8898","0.0002","28.5021","0.0003","13.8338","0.0001","90","","90","","90","","7448.1","0.12","123","2","123","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","[5-Bis(trimethylsilyl)methyl-2,4-bisferrocenyl-1,3,5- oxazaphosphol-3-ene-kappaP]pentacarbonyltungsten(0)","","- C34 H38 Fe2 N O6 P Si2 W -","- C34 H38 Fe2 N O6 P Si2 W -","- C272 H304 Fe16 N8 O48 P8 Si16 W8 -","8","1","","Streubel, Rainer; Pérez, Janaina Marinas; Helten, Holger; Daniels, Jörg; Nieger, Martin","Developing click reactions of a 3-ferrocenyl-2H-azaphosphirene complex.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11445","11450","10.1039/c0dt00730g","","","0.71073","MoKα","","0.0429","0.0262","","","0.0502","0.0532","","","","","","0.927","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026973","10.641","0.002","24.267","0.005","10.424","0.002","90","","90","","90","","2691.7","0.9","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H42 O2 Se -","- C28 H40 O2 Se -","- C112 H160 O8 Se4 -","4","0.5","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.0651","0.0474","","0.1213","0.1167","","","","0.953","1.114","1.114","","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027519","21.637","0.004","26.29","0.005","9.109","0.002","90","","90","","90","","5181.5","1.8","291","2","291","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H46 Cl2 Cu2 N8 O4 S4 -","- C40 H46 Cl2 Cu2 N8 O4 S4 -","- C160 H184 Cl8 Cu8 N32 O16 S16 -","4","0.5","","Che, De-Ji; Li, Gang; Yao, Xiao-Lan; Zhou, Da-Peng","Simultaneous formation of both novel bis(μ-sulfur)- and bis(μ-oxo)bridged copper(II) dimers by reaction of N-benzoyl-N ′,N ′-dimethylthiourea (HL) with CuCl2. Syntheses, crystal structures and magnetic properties of [{CuL(HL)Cl}2] and [{CuL2}2] †","Journal of the Chemical Society, Dalton Transactions","1999","","16","2683","","10.1039/a903517f","","","0.71073","MoKα","","0.1635","0.107","","0.1945","0.1737","","","","1.257","1.312","1.312","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7028369","13.7743","0.0003","13.7329","0.0004","12.8256","0.0003","90","","90","","90","","2426.1","0.1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C96 H160 N16 O16 -","8","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","1.54184","CuKα","","0.0423","0.0404","","","0.1113","0.1131","","","","","","1.072","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028516","13.196","0.004","13.787","0.005","15.404","0.005","90","","90","","90","","2802.5","1.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H20 N6 O7 Re2 -","- C26 H20 N6 O7 Re2 -","- C104 H80 N24 O28 Re8 -","4","0.5","","Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando","Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4009","4020","10.1039/c3dt53439a","","","0.71073","MoKα","","0.0678","0.0412","","","0.0782","0.0909","","","","","","1.114","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028677","16.381","0.0005","5.106","0.0001","13.322","0.0004","90","","90","","90","","1114.27","0.05","120","0.1","120","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C2 H10 I2 N4 O S2 -","- C2 H10 I2 N4 O S2 -","- C8 H40 I8 N16 O4 S8 -","4","0.5","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","1.5418","CuKα","","0.023","0.0218","","","0.0581","0.059","","","","","","1.064","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7029049","18.758","0.0018","15.0409","0.0014","17.1991","0.0016","90","","90","","90","","4852.5","0.8","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C25 H29 Br N2 O3 -","- C25 H29 Br N2 O3 -","- C200 H232 Br8 N16 O24 -","8","1","","Su, Jia-Hong; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","A spiroborate-based anionic bis-N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3059","3062","10.1039/c3dt52131a","","","0.71073","MoKα","","0.0698","0.045","","","0.1093","0.1237","","","","","","1.028","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7030305","18.6632","0.0004","20.1318","0.0005","23.9866","0.0005","90","","90","","90","","9012.3","0.4","150","2","150","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C79 H16 B2 Cl2 F64 O6 P4 Ru2 -","- C79 H14 B2 Cl2 F64 O6 P4 Ru2 -","- C316 H56 B8 Cl8 F256 O24 P16 Ru8 -","4","0.5","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0915","0.0495","","","0.1177","0.1401","","","","","","1.023","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7031224","20.2293","0.0004","20.5119","0.0004","19.3078","0.0003","90","","90","","90","","8011.6","0.3","108","2","108","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H28 Cu2 F8 N6 O8 -","- C36 H22 Cu2 F8 N4 O8 -","- C288 H176 Cu16 F64 N32 O64 -","8","1","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Crystal structures, CO2 adsorption, and dielectric properties of [Cu(ii)2(R-benzoate)4(pyrazine)]∞polymers (R = m-F, 2,3-F2, m-Cl, and m-CH3).","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9081","9089","10.1039/c4dt00258j","","","1.54187","CuKα","","0.1642","0.1104","","","0.3127","0.3547","","","","","","1.107","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031298","15.788","0.0005","18.785","0.0006","20.1863","0.0007","90","","90","","90","","5986.8","0.3","250","2","250","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Moris-337 (Sara)","","","- C54 H84 Cl2 N8 Si2 Th -","- C54 H84 Cl2 N8 Si2 Th -","- C216 H336 Cl8 N32 Si8 Th4 -","4","0.5","","Karmel, Isabell S. R.; Elkin, Tatyana; Fridman, Natalia; Eisen, Moris S.","Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity towards oxygen containing substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11376","11387","10.1039/c4dt01361a","","","0.71073","MoKα","","0.0499","0.0305","","","0.0884","0.0989","","","","","","1.005","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031673","12.354","0.005","16.814","0.006","9.0073","0.0018","90","","90","","90","","1871","1.1","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C14 H12 N6 O6 Pb S2 -","- C14 H12 N6 O6 Pb S2 -","- C56 H48 N24 O24 Pb4 S8 -","4","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.0519","0.027","","","0.045","0.0515","","","","","","1.016","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031688","7.23114","0.00012","17.5695","0.0003","8.6083","0.00015","90","","90","","90","","1093.66","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H8 B K N8 S2 -","- C4 H8 B K N8 S2 -","- C16 H32 B4 K4 N32 S8 -","4","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","0.7107","MoKα","","0.027","0.0264","","","0.0586","0.0588","","","","","","1.208","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031844","31.3645","0.0005","10.4436","0.0002","18.7587","0.0002","90","","90","","90","","6144.57","0.17","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C55 H102 Cu N10 O7 -","- C54 H98 Cu N10 O6 -","- C216 H392 Cu4 N40 O24 -","4","0.5","","Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung","Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14726","14736","10.1039/c4dt01467g","","","0.71073","MoKα","","0.0805","0.0646","","","0.1956","0.2106","","","","","","1.043","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7032137","7.5157","0.0002","17.6633","0.0006","23.4601","0.0009","90","","90","","90","","3114.38","0.18","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H34 F6 N6 O8 S2 Zn -","- C19.5 H34 F6 N6 O8 S2 Zn -","- C78 H136 F24 N24 O32 S8 Zn4 -","4","0.5","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.0551","0.0428","","","0.1067","0.1196","","","","","","1.051","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032268","12.8015","0.0006","32.736","0.003","18.6516","0.001","90","","90","","90","","7816.3","0.9","109.9","0.2","109.9","0.2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H36 Cl2 Fe4 -","- C52 H36 Cl2 Fe4 -","- C416 H288 Cl16 Fe32 -","8","1","","Pfaff, Ulrike; Filipczyk, Grzegorz; Hildebrandt, Alexander; Korb, Marcus; Lang, Heinrich","1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member of the family of multiferrocenyl-functionalized cyclic systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16310","16321","10.1039/c4dt02307b","","","0.71073","MoKα","","0.1712","0.1591","","","0.3167","0.3215","","","","","","1.164","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7033245","13.166","0.003","34.112","0.007","10.078","0.002","90","","90","","90","","4526.2","1.7","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H43 Eu N8 O15 -","- C44 H33 Eu N8 O11 -","- C176 H132 Eu4 N32 O44 -","4","0.5","","Zhu, Yu; Wang, Yanmei; Liu, Pan; Xia, Changkun; Wu, Yunlong; Lu, Xiaoqing; Xie, Jimin","Two chelating-amino-functionalized lanthanide metal-organic frameworks for adsorption and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1955","1961","10.1039/c4dt02048k","","","0.71073","MoKα","","0.1498","0.0764","","","0.1858","0.2236","","","","","","1.005","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033246","13.138","0.003","33.947","0.007","10.013","0.002","90","","90","","90","","4465.8","1.6","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H43 Er N8 O15 -","- C44 H33 Er N8 O10 -","- C176 H132 Er4 N32 O40 -","4","0.5","","Zhu, Yu; Wang, Yanmei; Liu, Pan; Xia, Changkun; Wu, Yunlong; Lu, Xiaoqing; Xie, Jimin","Two chelating-amino-functionalized lanthanide metal-organic frameworks for adsorption and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1955","1961","10.1039/c4dt02048k","","","0.71073","MoKα","","0.0735","0.0466","","","0.1221","0.1367","","","","","","1.07","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033289","15.0776","0.0012","30.28","0.002","8.6832","0.0004","90","","90","","90","","3964.3","0.4","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","C4; CuCltpyps","Chloro tris(2-pyridyl)phosphinesulfide copper(I)","","- C18 H16.5 Cl Cu N4.5 P S -","- C18 H16.5 Cl Cu N4.5 P S -","- C144 H132 Cl8 Cu8 N36 P8 S8 -","8","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.1226","0.0417","","","0.0583","0.0703","","","","","","0.715","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033384","27.6849","0.0009","23.9258","0.0005","10.9518","0.0002","90","","90","","90","","7254.3","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C60 H78 Co3 N4 O12 -","- C60 H76 Co3 N4 O12 -","- C240 H304 Co12 N16 O48 -","4","0.5","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.1014","0.0841","","","0.2389","0.2451","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7034273","22.9494","0.0003","19.5135","0.0002","21.4611","0.0002","90","","90","","90","","9610.78","0.18","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C54 H45 B Cu F7 N3 O2 P2 -","- C54 H44 B Cu F7 N3 O2 P2 -","- C432 H352 B8 Cu8 F56 N24 O16 P16 -","8","1","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","1.54178","CuKα","","0.0746","0.0676","","","0.2023","0.2111","","","","","","0.991","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7035614","16.3686","0.0009","8.2405","0.0005","13.1615","0.0008","90","","90","","90","","1775.29","0.18","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H9 Co N O8 P -","- C4 H9 Co N O8 P -","- C32 H72 Co8 N8 O64 P8 -","8","1","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","","0.71073","MoKα","","0.0384","0.032","","","0.0762","0.0803","","","","","","1.041","","","","has coordinates,has disorder","153145","2020-10-21","18:00:00",""
"7035615","8.21854","0.00016","16.3878","0.0003","13.2772","0.0002","90","","90","","90","","1788.22","0.05","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H9 N O8 P Zn -","- C4 H9 N O8 P Zn -","- C32 H72 N8 O64 P8 Zn8 -","8","1","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","x-ray","1.54184","CuKα","","0.0473","0.0458","","","0.1201","0.1218","","","","","","1.075","","","","has coordinates,has disorder","153145","2020-10-21","18:00:00",""
"7036166","29.0531","0.0007","21.5787","0.001","20.9114","0.0006","90","","90","","90","","13109.9","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70.5 H95 N4 O4 Zn2 -","- C70.5 H95 N4 O4 Zn2 -","- C564 H760 N32 O32 Zn16 -","8","1","","Sun, Yangyang; Cui, Yaqin; Xiong, Jiao; Dai, Zhongran; Tang, Ning; Wu, Jincai","Different mechanisms at different temperatures for the ring-opening polymerization of lactide catalyzed by binuclear magnesium and zinc alkoxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16383","16391","10.1039/c5dt01784j","","","0.7107","MoKα","","0.1105","0.0688","","","0.1631","0.2034","","","","","","1.045","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036168","29.2813","0.0009","21.6214","0.0008","20.7411","0.0006","90","","90","","90","","13131.2","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C67.5 H92 Mg2 N4 O4 -","- C67.5 H92 Mg2 N4 O4 -","- C540 H736 Mg16 N32 O32 -","8","1","","Sun, Yangyang; Cui, Yaqin; Xiong, Jiao; Dai, Zhongran; Tang, Ning; Wu, Jincai","Different mechanisms at different temperatures for the ring-opening polymerization of lactide catalyzed by binuclear magnesium and zinc alkoxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16383","16391","10.1039/c5dt01784j","","","0.71073","MoKα","","0.1117","0.0785","","","0.209","0.2374","","","","","","1.097","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036411","11.2867","0.0002","14.108","0.0003","29.1927","0.0007","90","","90","","90","","4648.43","0.17","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H30 Cl4 N4 O12 Re2 -","- C42 H30 Cl4 N4 O12 Re2 -","- C168 H120 Cl16 N16 O48 Re8 -","4","0.5","","Ramakrishna, Buthanapalli; Nagarajaprakash, R.; Veena, V.; Sakthivel, N.; Manimaran, Bala","Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17629","17638","10.1039/c5dt02205c","","","0.71073","MoKα","","0.0736","0.0602","","","0.1605","0.1685","","","","","","1.094","","","","has coordinates","161885","2020-10-21","18:00:00",""
"7036583","12.442","0.0003","17.257","0.0003","19.704","0.0005","90","","90","","90","","4230.68","0.17","150","2","150","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C24 H12 Dy N15 O18 -","- C24 H12 Dy N15 O18 -","- C96 H48 Dy4 N60 O72 -","4","0.5","","Jung, J.; Yi, X.; Huang, G.; Calvez, G.; Daiguebonne, C.; Guillou, O.; Cador, O.; Caneschi, A.; Roisnel, T.; Le Guennic, B.; Bernot, K.","Analysis of the electrostatics in Dy(III) single-molecule magnets: the case study of Dy(Murex)3.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18270","18275","10.1039/c5dt03345d","","x-ray","0.71073","MoKα","","0.0608","0.0406","","","0.143","0.1532","","","","","","1.073","","","","has coordinates","171191","2020-10-21","18:00:00",""
"7036818","22.471","0.004","8.7703","0.0017","19.775","0.003","90","","90","","90","","3897.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H38 N10 O10 Zn2 -","- C36 H28 N10 O10 Zn2 -","- C144 H112 N40 O40 Zn8 -","4","0.5","","Wan, Fang; Qiu, Li-Xia; Zhou, Liang-Liang; Sun, Yan-Qiong; You, Yi","A fluorescent, photochromic and thermochromic trifunctional material based on a layered metal-viologen complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18320","18323","10.1039/c5dt03405a","","","0.71073","MoKα","","0.087","0.0687","","","0.2216","0.2441","","","","","","1.057","","","","has coordinates","171273","2020-10-21","18:00:00",""
"7037112","16.3613","0.0007","26.0082","0.0011","7.5595","0.0003","90","","90","","90","","3216.8","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Pentacarbonyl-(ethoxy-thieno[2,3-b]thiophen-2-yl-methylidene)-tungsten","","- C14 H8 O6 S2 W -","- C14 H8 O6 S2 W -","- C112 H64 O48 S16 W8 -","8","1","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0212","0.0207","","","0.0565","0.057","","","","","","1.351","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7037185","22.4146","0.0012","7.755","0.0004","15.5401","0.0008","90","","90","","90","","2701.3","0.2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H45 B N2 -","- C30 H45 B N2 -","- C120 H180 B4 N8 -","4","0.5","","Courtemanche, Marc-André; Rochette, Étienne; Légaré, Marc-André; Bi, Wenhua; Fontaine, Frédéric-Georges","Reversible hydrogen activation by a bulky haloborane based FLP system.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6129","6135","10.1039/c5dt03916a","","","0.71073","MoKα","","0.0626","0.0506","","","0.1251","0.1341","","","","","","1.093","","","","has coordinates","181734","2020-10-21","18:00:00",""
"7037187","23.1183","0.0012","7.8422","0.0004","15.1217","0.0008","90","","90","","90","","2741.5","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H44 B Cl N2 -","- C30 H44 B Cl N2 -","- C120 H176 B4 Cl4 N8 -","4","0.5","","Courtemanche, Marc-André; Rochette, Étienne; Légaré, Marc-André; Bi, Wenhua; Fontaine, Frédéric-Georges","Reversible hydrogen activation by a bulky haloborane based FLP system.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6129","6135","10.1039/c5dt03916a","","","0.71073","MoKα","","0.0481","0.0405","","","0.1064","0.1129","","","","","","1.029","","","","has coordinates","181734","2020-10-21","18:00:00",""
"7037318","16.013","0.003","16.93","0.003","12.855","0.002","90","","90","","90","","3485","1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","mbth2NAlMe2","","","- C18 H18 Al N3 S2 -","- C18 H18 Al N3 S2 -","- C144 H144 Al8 N24 S16 -","8","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.56086","AgKα","","0.0307","0.0267","","","0.0695","0.0725","","","","","","1.073","","","","has coordinates","181718","2020-10-21","18:00:00",""
"7037408","29.997","0.001","12.8596","0.0006","12.8188","0.0005","90","","90","","90","","4944.8","0.3","300","","300","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 Br6 I2 N12 Zn3 -","- C36 Br6 I2 N12 Zn3 -","- C144 Br24 I8 N48 Zn12 -","4","0.5","","Ohtsu, Hiroyoshi; Kawano, Masaki","Br2 induced oxidative pore modification of a porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","489","493","10.1039/c5dt04122h","powder diffraction","","1","synchrotron","","0.02119","","","","","","0.02121","0.03732","0.3111","","","","","","","has coordinates","175995","2020-10-21","18:00:00",""
"7037409","29.515","0.001","12.8865","0.0006","12.9224","0.0007","90","","90","","90","","4915","0.4","300","","300","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 Br6 N12 Zn3 -","- C36 Br6 N12 Zn3 -","- C144 Br24 N48 Zn12 -","4","0.5","","Ohtsu, Hiroyoshi; Kawano, Masaki","Br2 induced oxidative pore modification of a porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","489","493","10.1039/c5dt04122h","powder diffraction","","1","synchrotron","","0.03513","","","","","","0.04061","0.04193","0.1354","","","","","","","has coordinates","175995","2020-10-21","18:00:00",""
"7037430","24.338","0.005","7.411","0.0015","10.578","0.002","90","","90","","90","","1907.9","0.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H19 Fe2 Se2 -","- C21 H19 Fe2 Se2 -","- C84 H76 Fe8 Se8 -","4","0.5","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.0715","0.0528","","","0.1326","0.1434","","","","","","1.018","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037711","18.465","0.005","9.367","0.003","10.059","0.003","90","","90","","90","","1739.8","0.9","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H10 K Mg O17 Ru2 -","- C4 H10 K Mg O17 Ru2 -","- C16 H40 K4 Mg4 O68 Ru8 -","4","0.5","","Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin","Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2945","2954","10.1039/c5dt04463d","","","0.71073","MoKα","","0.0958","0.0746","","","0.1928","0.2029","","","","","","1.089","","","","has coordinates","177790","2020-10-21","18:00:00",""
"7037730","55.007","0.0014","17.2341","0.0004","30.5232","0.0008","90","","90","","90","","28935.9","1.3","100","2","100","2","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC4H3N2)]2[Ni(hfac)2]","","- C182 H312 Cr14 F28 N6 Ni3 O68 -","- C182 H310 Cr14 F28 N6 Ni3 O68 -","- C728 H1240 Cr56 F112 N24 Ni12 O272 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","x-ray","0.7749","synchrotron","","0.0782","0.0588","","","0.1692","0.1876","","","","","","1.025","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7038048","9.2054","0.0006","19.1898","0.0011","17.0401","0.001","90","","90","","90","","3010.1","0.3","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H28 N6 O4 Ru S2 -","- C26 H28 N6 O4 Ru S2 -","- C104 H112 N24 O16 Ru4 S8 -","4","0.5","","Cadranel, Alejandro; Pieslinger, German E.; Tongying, Pornthip; Kuno, Masaru K.; Baraldo, Luis M.; Hodak, José H","Spectroscopic signatures of ligand field states in {Ru(II)(imine)} complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5464","5475","10.1039/c5dt04332h","","","0.71069","MoKα","","0.0872","0.0603","","","0.1613","0.2042","","","","","","1.052","","","","has coordinates","181638","2020-10-21","18:00:00",""
"7038184","23.5535","0.0017","19.3587","0.0014","20.976","0.0015","90","","90","","90","","9564.3","1.2","113","2","113","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C180 H188 Br20 N8 O11 -","- C183.6 H188 Br20 N8 O11.6 -","- C367.2 H376 Br40 N16 O23.2 -","2","0.25","","Webre, Whitney A.; Hill, Jonathan P.; Matsushita, Yoshitaka; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis","Anion binding, electrochemistry and solvatochromism of β-brominated oxoporphyrinogens.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4006","4016","10.1039/c5dt04258e","","","0.710747","MoKα","","0.101","0.0726","","","0.2056","0.2368","","","","","","1.056","","","","has coordinates","177862","2020-10-21","18:00:00",""
"7039414","41.275","0.004","13.1665","0.0012","24.798","0.002","90","","90","","90","","13476","2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H89 K14 Ni17 O117 -","- C72 H89 K14 Ni17 O117 -","- C288 H356 K56 Ni68 O468 -","4","0.5","","Li, Teng; Wang, Yanyan; Qin, Lei; Han, Tian; Ding, You-Song; Hu, Yue-Qiao; Zheng, Yan-Zhen","Construction of magnet-type coordination polymers using high-spin {Ni4}-citrate cubane as secondary building units.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10798","10806","10.1039/c6dt01405d","","","0.71073","MoKα","","0.0871","0.0788","","","0.1679","0.1719","","","","","","1.148","","","","has coordinates,has disorder","185356","2020-10-21","18:00:00",""
"7039416","12.392","0.005","22.83","0.01","23.802","0.01","90","","90","","90","","6734","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H86 B40 Co2 O13 -","- C32 H86 B40 Co2 O13 -","- C128 H344 B160 Co8 O52 -","4","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Teixidor, Francesc; Viñas, Clara; Aliaga-Alcalde, Núria","Carving a 1D Co(II)-carboranylcarboxylate system by using organic solvents to create stable trinuclear molecular analogues: complete structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10916","10927","10.1039/c6dt01744d","","","0.71073","MoKα","","0.0983","0.0636","","","0.1888","0.2183","","","","","","1.034","","","","has coordinates","185392","2020-10-21","18:00:00",""
"7040038","31.65","0.004","13.2146","0.0015","16.8363","0.0019","90","","90","","90","","7041.6","1.4","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C56 H60 F12 N12 O14 Rh2 S4 -","- C56 H62 F12 N12 O14 Rh2 S4 -","- C224 H248 F48 N48 O56 Rh8 S16 -","4","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13675","13679","10.1039/c6dt02393b","","","0.71073","MoKα","","0.0831","0.0555","","","0.1438","0.1615","","","","","","1.033","","","","has coordinates","186377","2020-10-21","18:00:00",""
"7040208","30.591","0.0003","19.795","0.0003","17.537","0.0005","90","","90","","90","","10619.5","0.4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C45 H40 Cl5 N11 O11 S3 Zn -","- C45 H40 Cl5 N11 O11 S3 Zn -","- C360 H320 Cl40 N88 O88 S24 Zn8 -","8","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10280","10288","10.1039/c6dt01148a","","","0.71073","MoKα","","0.131","0.0853","","","0.2035","0.2283","","","","","","1.031","","","","has coordinates,has disorder","185065","2020-10-21","18:00:00",""
"7041032","29.66","0.007","20.958","0.005","7.3955","0.0018","90","","90","","90","","4597.1","1.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26.5 H27 Gd N2 O4.5 -","- C26.5 H27 Gd N2 O4.5 -","- C212 H216 Gd8 N16 O36 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.0566","0.039","","","0.0911","0.096","","","","","","1.05","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041033","22.27","0.008","26.5","0.009","7.373","0.003","90","","90","","90","","4351","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C25.5 H21.5 N2 O3.5 Tb -","- C25.5 H21.5 N2 O3.5 Tb -","- C204 H172 N16 O28 Tb8 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.1861","0.089","","","0.1155","0.1429","","","","","","1.032","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041373","17.8617","0.001","23.0313","0.0014","10.4655","0.0006","90","","90","","90","","4305.3","0.4","210","2","210","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H56 N8 O22 S2 V4 -","- C22 H56 N8 O22 S2 V4 -","- C88 H224 N32 O88 S8 V16 -","4","0.5","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.0754","0.0461","","","0.1044","0.1143","","","","","","1.025","","","","has coordinates","191582","2020-10-21","18:00:00",""
"7041803","43.064","0.002","9.2965","0.0004","17.5771","0.0008","90","","90","","90","","7036.9","0.5","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H90 Cl6 Hg3 N10 O8 -","- C60 H90 Cl6 Hg3 N10 O8 -","- C240 H360 Cl24 Hg12 N40 O32 -","4","0.5","","Ikeda, Mari; Sah, Ajay Kumar; Iwase, Miki; Murashige, Rina; Ishi-I, Jun-Ichi; Hasegawa, Masatoshi; Kachi-Terajima, Chihiro; Park, Ki-Min; Kuwahara, Shunsuke; Habata, Yoichi","C-HCl(-) hydrogen bonds in solution and in the solid-state: HgCl2 complexes with cyclen-based cryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3800","3804","10.1039/c6dt03390c","","","0.71073","MoKα","","0.0969","0.0787","","","0.2036","0.2148","","","","","","1.115","","","","has coordinates","195117","2020-10-21","18:00:00",""
"7041971","10.9646","0.0003","15.1475","0.0004","20.6185","0.0005","90","","90","","90","","3424.45","0.15","293","","293.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H20 Au B F4 N4 -","- C12 H20 Au B F4 N4 -","- C96 H160 Au8 B8 F32 N32 -","8","1","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","","0.71073","MoKα","","0.0839","0.0776","","","0.2046","0.2163","","","","","","1.07","","","","has coordinates,has disorder","195118","2020-10-21","18:00:00",""
"7042321","18.352","0.003","31.141","0.005","14.417","0.002","90","","90","","90","","8239","2","90","2","90","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C131 H17.4 Cl5.4 I4 N4 S4.6 -","- C131 H17.4 Cl5.4 I4 N4 S4.6 -","- C524 H69.6 Cl21.6 I16 N16 S18.4 -","4","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Piperazine-functionalized C60 and diiodine or iodine monochloride as components in forming supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3710","3715","10.1039/c7dt00026j","","","0.71073","MoKα","","0.051","0.0366","","","0.0835","0.0898","","","","","","1.044","","","","has coordinates,has disorder","195106","2020-10-21","18:00:00",""
"7042762","22.6154","0.0014","20.0116","0.0012","21.8373","0.0014","90","","90","","90","","9882.9","1.1","123","","123","","","","","","","","Fabian Brunner","7","P c c n","-P 2ab 2ac","56","","","","- C57 H44 Cu F6 N2 O1.25 P3 -","- C57 H44 Cu F6 N2 O1.25 P3 -","- C456 H352 Cu8 F48 N16 O10 P24 -","8","1","","Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann","The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00782E","","","1.54178","CuKα","","0.0713","0.0605","","0.153","0.1485","0.1528","","","","","","1.0589","","","","has coordinates","195738","2020-10-21","18:00:00",""
"7043211","20.8317","0.0007","18.9174","0.0005","11.751","0.0003","90","","90","","90","","4630.9","0.2","110","","110","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C21 H27 Bi O3 S3 -","- C21 H27 Bi O3 S3 -","- C168 H216 Bi8 O24 S24 -","8","1","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","0.71073","MoKα","","0.0374","0.0222","","","0.0401","0.0416","","","","","","0.893","","","","has coordinates,has disorder","197192","2020-10-21","18:00:00",""
"7043252","10.263","0.002","15.96","0.003","33.531","0.007","90","","90","","90","","5492.3","1.9","105","2","105","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 Ca O7 -","- C30 H26 Ca O7 -","- C240 H208 Ca8 O56 -","8","1","","Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming","A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green","Dalton Trans.","2017","","","","","10.1039/C7DT01262D","","","0.72","synchrotron","","0.1371","0.0858","","","0.2028","0.2403","","","","","","1.057","","","","has coordinates","197551","2020-10-21","18:00:00",""
"7043663","7.5805","0.001","16.0064","0.0019","17.325","0.002","90","","90","","90","","2102.2","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H28 Cl Mn N4 O2 -","- C22 H28 Cl Mn N4 O2 -","- C88 H112 Cl4 Mn4 N16 O8 -","4","0.5","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0697","0.0647","","","0.1321","0.1352","","","","","","1.418","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043669","7.755","0.002","16.035","0.004","17.36","0.004","90","","90","","90","","2158.7","0.9","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H28 Cl Mn N4 O2 -","- C22 H28 Cl Mn N4 O2 -","- C88 H112 Cl4 Mn4 N16 O8 -","4","0.5","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0772","0.064","","","0.1164","0.1228","","","","","","1.243","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043752","19.3832","0.0002","18.6574","0.0002","10.60318","0.00013","90","","90","","90","","3834.54","0.07","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C28 H48 Cl6 Cu N8 Re -","- C28 H48 Cl6 Cu N8 Re -","- C112 H192 Cl24 Cu4 N32 Re4 -","4","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand","Dalton Trans.","2017","","","","","10.1039/C7DT02216F","","x-ray","0.71073","MoKα","","0.0628","0.0514","","","0.0898","0.0933","","","","","","1.329","","","","has coordinates,has disorder","199017","2020-10-21","18:00:00",""
"7043969","8.6918","0.0006","24.9364","0.0016","40.194","0.003","90","","90","","90","","8711.7","1","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C81 H100 F24 N10 O7 -","- C81 H100 F24 N10 O7 -","- C324 H400 F96 N40 O28 -","4","0.5","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","1.54178","CuKα","","0.1402","0.0811","","","0.1716","0.2046","","","","","","1.027","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7044607","17.84904","0.00019","30.9248","0.0003","18.15886","0.00014","90","","90","","90","","10023.3","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C55 H45 F7 O6 P3 S2 -","- C55 H45 F7 O6 P3 S2 -","- C440 H360 F56 O48 P24 S16 -","8","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A.; Frontera, A.; Fischer, R.; Weigand, J. J.","Donor‒acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F)","Dalton Transactions","2017","","","","","10.1039/C7DT03271D","","x-ray","1.54184","CuKα","","0.0384","0.0382","","","0.0979","0.0981","","","","","","1.082","","","","has coordinates,has disorder","202508","2020-10-21","18:00:00",""
"7044612","14.8856","0.001","19.3543","0.0011","12.4314","0.0006","90","","90","","90","","3581.5","0.4","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H36 Mn7 N6 O6 Se8 Sn2 -","- C12 H36 Mn7 N6 O6 Se8 Sn2 -","- C48 H144 Mn28 N24 O24 Se32 Sn8 -","4","0.5","","Zhou, Jian; Xiao, Hong; Zou, Hua-Hong; Liu, Xing","One unprecedented 2-D Mn selenidostannate(IV) incorporating high-nuclear Mn clusters with spin canting behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03331A","","","0.71073","MoKα","","0.06","0.0341","","","0.0675","0.0754","","","","","","1.016","","","","has coordinates,has disorder","202510","2020-10-21","18:00:00",""
"7044784","20.785","0.0012","30.2224","0.0018","7.2085","0.0006","90","","90","","90","","4528.2","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H23 Ga N3 O12 -","- C19 H23 Ga N3 O12 -","- C152 H184 Ga8 N24 O96 -","8","1","","Price, Thomas W.; Gallo, Juan; Kubicek, Vojtech; Bohmova, Zuzana; Prior, Timothy J.; Greenman, John; Hermann, Petr; Stasiuk, Graeme J.","Amino Acid Based Gallium-68 Chelators Capable of Radiolabeling at Neutral pH","Dalton Transactions","2017","","","","","10.1039/C7DT03398B","","","0.6889","synchrotron","","0.1604","0.0999","","","0.2359","0.2888","","","","","","0.97","","","","has coordinates","203245","2020-10-21","18:00:00",""
"7044792","22.8432","0.0012","16.3316","0.0009","16.2218","0.0009","90","","90","","90","","6051.8","0.6","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C32 H22 Cl F6 Ir N5 P -","- C32 H22 Cl F6 Ir N5 P -","- C256 H176 Cl8 F48 Ir8 N40 P8 -","8","1","","Gao, Tao-Bao; Yan, Run-Qi; Metherell, Alexander J.; Cao, Deng-Ke; Ye, Deju; Ward, Michael D.","Coordination mode-induced isomeric cyclometalated [Ir(tpy)(nbi)Cl](PF6) complexes: distinct luminescence, self-assembly and cellular imaging behaviors","Dalton Transactions","2017","","","","","10.1039/C7DT03523C","","","0.71073","MoKα","","0.0494","0.0304","","","0.0762","0.0828","","","","","","1.033","","","","has coordinates","203320","2020-10-21","18:00:00",""
"7045480","21.546","0.0009","31.96","0.0012","11.64","0.0004","90","","90","","90","","8015.4","0.5","99","2","99","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39.5 H37.5 B2 Cl4.5 F6 N4 -","- C39.5 H37.5 B2 Cl4.5 F6 N4 -","- C316 H300 B16 Cl36 F48 N32 -","8","1","","Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.","Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3388","3399","10.1039/c7dt04575a","","","0.71073","MoKα","","0.1827","0.0697","","","0.1569","0.2183","","","","","","0.999","","","","has coordinates,has disorder","229235","2020-10-21","18:00:00",""
"7046251","20.034","0.0004","20.2409","0.0004","24.0385","0.0005","90","","90","","90","","9747.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H91 I N2 Si4 Sm -","- C39 H91 I N2 Si4 Sm -","- C312 H728 I8 N16 Si32 Sm8 -","8","1","","Goodwin, Conrad A. P.; Réant, Benjamin L L; Kragskow, Jon G. C.; DiMucci, Ida M.; Lancaster, Kyle M.; Mills, David P.; Sproules, Stephen","Heteroleptic samarium(iii) halide complexes probed by fluorescence-detected L<sub>3</sub>-edge X-ray absorption spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10613","10625","10.1039/c8dt01452c","","x-ray","0.71073","MoKα","","0.0488","0.0342","","","0.0659","0.0731","","","","","","1.047","","","","has coordinates,has disorder","229832","2020-10-21","18:00:00",""
"7046255","21.373","0.004","9.3047","0.0019","15.635","0.003","90","","90","","90","","3109.3","1","150.01","0.1","150.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H42 N8 O2 Zn -","- C32 H42 N8 O2 Zn -","- C128 H168 N32 O8 Zn4 -","4","0.5","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.0694","0.0452","","","0.0859","0.0972","","","","","","1.002","","","","has coordinates,has disorder","229215","2020-10-21","18:00:00",""
"7046257","9.4589","0.0002","21.537","0.0005","15.3073","0.0004","90","","90","","90","","3118.35","0.13","150","0.1","150","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H42 Mg N8 O2 -","- C32 H42 Mg N8 O2 -","- C128 H168 Mg4 N32 O8 -","4","0.5","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.056","0.0449","","","0.1153","0.1215","","","","","","1.005","","","","has coordinates,has disorder","229215","2020-10-21","18:00:00",""
"7046322","15.638","0.0004","18.9977","0.0005","16.7378","0.0004","90","","90","","90","","4972.6","0.2","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C52 H72 Au2 B2 N4 -","- C52 H72 Au2 B2 N4 -","- C208 H288 Au8 B8 N16 -","4","0.5","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.54184","CuKα","","0.0469","0.0315","","","0.066","0.0726","","","","","","1.014","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046459","18.3905","0.0004","22.6878","0.0009","19.0917","0.0006","90","","90","","90","","7965.8","0.4","119.99","0.1","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C75 H72 B4 F16 Fe2 N25.5 -","- C75 H72 B4 F16 Fe2 N25.5 -","- C300 H288 B16 F64 Fe8 N102 -","4","0.5","","Archer, Rosanna J.; Scott, Hayley S.; Polson, Matthew I. J.; Williamson, Bryce E.; Mathonière, Corine; Rouzières, Mathieu; Clérac, Rodolphe; Kruger, Paul E.","Varied spin crossover behaviour in a family of dinuclear Fe(ii) triple helicate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7965","7974","10.1039/c8dt01567h","","","1.54184","CuKα","","0.1277","0.0879","","","0.2606","0.302","","","","","","1.029","","","","has coordinates,has disorder","229225","2020-10-21","18:00:00",""
"7046733","7.7921","0.0001","22.0548","0.0003","8.46","0.0001","90","","90","","90","","1453.88","0.03","80","","80","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0263","0.024","","","0.0618","0.0635","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046734","7.9102","0.0002","22.1031","0.0007","8.6003","0.0002","90","","90","","90","","1503.68","0.07","360","","360","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0365","0.0277","","","0.0724","0.0781","","","","","","0.999","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046735","7.7962","0.0001","22.0461","0.0003","8.4718","0.0001","90","","90","","90","","1456.1","0.03","140","","140","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0267","0.0236","","","0.0611","0.0633","","","","","","1","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046736","7.8376","0.0002","22.0576","0.0004","8.5034","0.0002","90","","90","","90","","1470.06","0.06","290","","290","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0319","0.0278","","","0.0738","0.0775","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046737","7.8166","0.0001","22.0478","0.0003","8.4882","0.0001","90","","90","","90","","1462.85","0.03","220","","220","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.029","0.0253","","","0.0669","0.07","","","","","","0.997","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046738","7.9282","0.0002","22.1074","0.0008","8.6031","0.0003","90","","90","","90","","1507.88","0.08","400","","400","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0392","0.0285","","","0.0724","0.0795","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046739","7.8926","0.0002","22.0966","0.0007","8.5875","0.0002","90","","90","","90","","1497.66","0.07","320","","320","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0349","0.027","","","0.0696","0.0754","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046740","7.8494","0.0002","22.0641","0.0004","8.5078","0.0002","90","","90","","90","","1473.47","0.06","320","","320","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.034","0.0282","","","0.0748","0.0796","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046741","7.8675","0.0002","22.0901","0.0006","8.5777","0.0002","90","","90","","90","","1490.75","0.07","260","","260","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0323","0.0257","","","0.0681","0.0726","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046742","7.8547","0.0002","22.0887","0.0006","8.5717","0.0002","90","","90","","90","","1487.19","0.07","220","","220","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0309","0.0256","","","0.0667","0.0704","","","","","","0.999","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046743","7.8811","0.0002","22.0928","0.0006","8.5825","0.0002","90","","90","","90","","1494.35","0.07","290","","290","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0342","0.0271","","","0.072","0.077","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046744","7.8422","0.0002","22.0907","0.0006","8.5634","0.0002","90","","90","","90","","1483.52","0.07","180","","180","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0311","0.0262","","","0.0677","0.0706","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046745","7.9479","0.0003","22.1124","0.0011","8.6127","0.0003","90","","90","","90","","1513.66","0.11","440","","440","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0695","0.0426","","","0.0993","0.1164","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046746","7.8983","0.0002","22.0866","0.0004","8.5326","0.0002","90","","90","","90","","1488.48","0.06","440","","440","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0403","0.032","","","0.0817","0.0883","","","","","","0.996","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046747","7.8265","0.0002","22.099","0.0006","8.5484","0.0002","90","","90","","90","","1478.51","0.07","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0304","0.0268","","","0.0713","0.074","","","","","","0.998","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046748","7.8802","0.0002","22.0783","0.0004","8.5264","0.0002","90","","90","","90","","1483.44","0.06","400","","400","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0365","0.0298","","","0.0777","0.084","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046749","7.8332","0.0001","22.0928","0.0005","8.5556","0.0002","90","","90","","90","","1480.61","0.05","140","","140","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0302","0.0258","","","0.068","0.0712","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046750","7.8655","0.0002","22.0691","0.0004","8.5179","0.0002","90","","90","","90","","1478.58","0.06","360","","360","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0352","0.0289","","","0.0764","0.0822","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046751","7.8046","0.0001","22.0464","0.0003","8.4805","0.0001","90","","90","","90","","1459.18","0.03","180","","180","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0289","0.0255","","","0.0671","0.0694","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046752","7.8287","0.0001","22.0521","0.0003","8.4976","0.0001","90","","90","","90","","1467.02","0.03","260","","260","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0307","0.0268","","","0.0705","0.0741","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046799","11.12549","0.00013","22.2307","0.0003","21.9849","0.0003","90","","90","","90","","5437.47","0.12","120","1","120","1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H60 Cl2 Cu2 F12 N14 Sb2 -","- C40 H60 Cl2 Cu2 F12 N14 Sb2 -","- C160 H240 Cl8 Cu8 F48 N56 Sb8 -","4","0.5","","Ziesak, Alexandra; Steuer, Lena; Kaifer, Elisabeth; Wagner, Norbert; Beck, Johannes; Wadepohl, Hubert; Himmel, Hans-Jörg","Intramolecular metal-ligand electron transfer triggered by co-ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9430","9441","10.1039/c8dt01234b","","x-ray","0.71073","MoKα","","0.0558","0.0371","","","0.0798","0.0864","","","","","","1.044","","","","has coordinates","229208","2020-10-21","18:00:00",""
"7047145","14.8204","0.0014","15.7062","0.0015","29.189","0.003","90","","90","","90","","6794.4","1.1","184.5","0.2","184.5","0.2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C23 H38 Ca N4 O2 Si2 -","- C23 H38 Ca N4 O2 Si2 -","- C184 H304 Ca8 N32 O16 Si16 -","8","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.0979","0.0645","","","0.179","0.2047","","","","","","1.029","","","","has coordinates","229911","2020-10-21","18:00:00",""
"7047148","14.9714","0.0012","16.1922","0.0013","29.027","0.002","90","","90","","90","","7036.7","0.9","184.5","0.2","184.5","0.2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H50 Ca N4 O2 Si2 -","- C32 H50 Ca N4 O2 Si2 -","- C256 H400 Ca8 N32 O16 Si16 -","8","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.0853","0.0535","","","0.1231","0.1413","","","","","","1.014","","","","has coordinates,has disorder","229911","2020-10-21","18:00:00",""
"7047212","20.4001","0.0017","23.3701","0.0018","16.1214","0.0013","90","","90","","90","","7685.9","1.1","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C80 H92 Al2 N4 O6 -","- C80 H92 Al2 N4 O6 -","- C320 H368 Al8 N16 O24 -","4","0.5","","Kazarina, Olga V.; Gourlaouen, Christophe; Karmazin, Lydia; Morozov, Alexander G.; Fedushkin, Igor L.; Dagorne, Samuel","Low valent Al(ii)-Al(ii) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13800","13808","10.1039/c8dt02614a","","","0.71073","MoKα","","0.1176","0.0742","","","0.1465","0.1653","","","","","","1.074","","","","has coordinates,has disorder","229499","2020-10-21","18:00:00",""
"7047255","34.6154","0.0003","26.4417","0.0002","10.0757","0.0001","90","","90","","90","","9222.19","0.14","100","0.1","100","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C86 H68 Br4 Mn4 O19 P4 -","- C86 H68 Br4 Mn4 O19 P4 -","- C344 H272 Br16 Mn16 O76 P16 -","4","0.5","","Kadassery, Karthika J.; MacMillan, Samantha N.; Lacy, David C.","Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12652","12655","10.1039/c8dt02933d","","x-ray","1.54184","CuKα","","0.0477","0.0434","","","0.1176","0.1204","","","","","","1.065","","","","has coordinates,has disorder","229919","2020-10-21","18:00:00",""
"7047527","13.3949","0.0007","5.2954","0.0003","5.5369","0.0002","90","","90","","90","","392.74","0.03","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C N2 O Sn2 -","- C N2 O Sn2 -","- C4 N8 O4 Sn8 -","4","0.5","","Dolabdjian, Konstantin; Görne, Arno L; Dronskowski, Richard; Ströbele, Markus; Meyer, Hans-Jürgen","Tin(ii) oxide carbodiimide and its relationship to SnO.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13378","13383","10.1039/c8dt02747a","","","0.71073","MoKα","","0.0146","0.0134","","","0.0254","0.0256","","","","","","1.296","","","","has coordinates","230014","2020-10-21","18:00:00",""
"7047794","15.7882","0.0007","19.1313","0.0009","14.6344","0.0008","90","","90","","90","","4420.3","0.4","170","2","170","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H26 F6 Mn N10 O6 S6 -","- C40 H26 F6 Mn N10 O6 S6 -","- C160 H104 F24 Mn4 N40 O24 S24 -","4","0.5","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0619","0.0412","","","0.0933","0.106","","","","","","1.042","","","","has coordinates,has disorder","229280","2020-10-21","18:00:00",""
"7047872","14.5624","0.0007","18.1327","0.0011","19.1519","0.0011","90","","90","","90","","5057.2","0.5","140","2","140","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H48 Cl2 Co O4 P4 -","- C60 H48 Cl2 Co O4 P4 -","- C240 H192 Cl8 Co4 O16 P16 -","4","0.5","","Mondal, Amit Kumar; Jover, Jesús; Ruiz, Eliseo; Konar, Sanjit","Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","25","29","10.1039/c8dt03862g","","","0.71073","MoKα","","0.1112","0.0583","","","0.1114","0.1331","","","","","","1.026","","","","has coordinates","223930","2020-10-21","18:00:00",""
"7048082","14.6365","0.0007","29.8941","0.0014","7.4973","0.0007","90","","90","","90","","3280.4","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H76 K O8 Yb -","- C76 H76 K O8 Yb -","- C152 H152 K2 O16 Yb2 -","2","0.25","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","1.54178","CuKα","","0.1251","0.0851","","","0.2296","0.2649","","","","","","1.009","","","","has coordinates,has disorder","229716","2020-10-21","18:00:00",""
"7048085","14.7842","0.0003","29.7258","0.0005","7.5735","0.0002","90","","90","","90","","3328.34","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H76 Cs Eu O8 -","- C76 H76 Cs Eu O8 -","- C152 H152 Cs2 Eu2 O16 -","2","0.25","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","0.71073","MoKα","","0.0617","0.0505","","","0.1589","0.1661","","","","","","1.002","","","","has coordinates,has disorder","229716","2020-10-21","18:00:00",""
"7048458","21.8891","0.0019","15.7838","0.0013","20.9545","0.0018","90","","90","","90","","7239.6","1.1","113","2","113.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C36 H30 Fe2 N2 O4 P2 S2 -","- C36 H30 Fe2 N2 O4 P2 S2 -","- C288 H240 Fe16 N16 O32 P16 S16 -","8","1","","Song, Li-Cheng; Feng, Li; Guo, Yuan-Qiang","Hydrophilic quaternary ammonium-group-containing [FeFe]H<sub>2</sub>ase models prepared by quaternization of the pyridyl N atoms in pyridylazadiphosphine- and pyridylmethylazadiphosphine-bridged diiron complexes with various electrophiles.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1443","1453","10.1039/c8dt04211j","","","0.71073","MoKα","","0.0344","0.0274","","","0.0649","0.0678","","","","","","1.087","","","","has coordinates","224080","2020-10-21","18:00:00",""
"7048613","14.703","0.0004","14.4342","0.0005","17.5493","0.0009","90","","90","","90","","3724.4","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","PtMn03I","","","- C36 I0.9 Mn2 N8 O4 Pt -","- C36 I0.9 Mn2 N8 O4 Pt -","- C144 I3.6 Mn8 N32 O16 Pt4 -","4","0.5","","Ohtani, Ryo; Yamamoto, Riho; Ohtsu, Hiroyoshi; Kawano, Masaki; Pirillo, Jenny; Hijikata, Yuh; Sadakiyo, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Consecutive oxidative additions of iodine on undulating 2D coordination polymers: formation of I‒Pt‒I chains and inhomogeneous layers","Dalton Transactions","2019","","","","","10.1039/C8DT04624G","powder diffraction","","1","synchrotron","","0.02244","","","","","","0.0229","0.05729","0.3619","","","","","","","has coordinates","213058","2020-10-21","18:00:00",""
"7048614","14.682","0.001","14.687","0.001","17.096","0.0008","90","","90","","90","","3686.5","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","PtMn01I","","","- C36 I0.36 Mn2 N8 O4 Pt -","- C36 I0.36 Mn2 N8 O4 Pt -","- C144 I1.44 Mn8 N32 O16 Pt4 -","4","0.5","","Ohtani, Ryo; Yamamoto, Riho; Ohtsu, Hiroyoshi; Kawano, Masaki; Pirillo, Jenny; Hijikata, Yuh; Sadakiyo, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Consecutive oxidative additions of iodine on undulating 2D coordination polymers: formation of I‒Pt‒I chains and inhomogeneous layers","Dalton Transactions","2019","","","","","10.1039/C8DT04624G","powder diffraction","","1","synchrotron","","0.04271","","","","","","0.04398","0.08016","0.2316","","","","","","","has coordinates","213058","2020-10-21","18:00:00",""
"7048630","20.4747","0.0004","20.9986","0.0003","20.8892","0.0003","90","","90","","90","","8981.1","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C46 H60 N8 Ti -","- C46 H60 N8 Ti -","- C368 H480 N64 Ti8 -","8","1","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","1.54184","CuKα","","0.0805","0.056","","","0.1519","0.1679","","","","","","1.094","","","","has coordinates","213087","2020-10-21","18:00:00",""
"7048703","23.6828","0.0012","31.4643","0.0016","18.0577","0.0007","90","","90","","90","","13455.9","1.1","173","2","173","2","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C69 H52 Cl3 N7 O7 Ti en lv so t -","- C69 H52 Cl3 N7 O7 Ti -","- C552 H416 Cl24 N56 O56 Ti8 -","8","1","","Barloy, L.; Heinrich, B.; Douce, L.; Henry, M.; Scarpi-Luttenauer, M; Kyritsakas, N.; Mobian, P.","A robust Ti(iv)-based mesogen constructed around a TiO<sub>4</sub>N<sub>2</sub> core.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1960","1963","10.1039/c8dt04972f","","","0.71073","MoKα","","0.1576","0.1013","","","0.3011","0.3424","","","","","","1.132","","","","has coordinates","224161","2020-10-21","18:00:00",""
"7049138","18.5564","0.0002","17.2237","0.0002","16.5743","0.0002","90","","90","","90","","5297.31","0.11","150","0.1","150","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C25 H20 N6 O5 S2 Zn -","- C25 H20 N6 O5 S2 Zn -","- C200 H160 N48 O40 S16 Zn8 -","8","1","","Zhai, Zhi-Wei; Yang, Shuang-Hua; Lv, Ya-Ru; Du, Chen-Xia; Li, Lin-Ke; Zang, Shuang-Quan","Amino functionalized Zn/Cd-metal-organic frameworks for selective CO<sub>2</sub> adsorption and Knoevenagel condensation reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4007","4014","10.1039/c9dt00391f","","x-ray","1.54184","CuKα","","0.0387","0.0332","","","0.0842","0.087","","","","","","1.043","","","","has coordinates,has disorder","224573","2020-10-21","18:00:00",""
"7049458","20.5287","0.0008","26.6266","0.001","7.9491","0.0003","90","","90","","90","","4345.1","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C19 H18 Cl I2 N O Ru -","- C19 H18 Cl I2 N O Ru -","- C152 H144 Cl8 I16 N8 O8 Ru8 -","8","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.075","0.0443","","","0.1159","0.1336","","","","","","1.094","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049464","21.0592","0.0014","26.7409","0.0018","7.9714","0.0006","90","","90","","90","","4489","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H18 I3 N O Ru -","- C19 H18 I3 N O Ru -","- C152 H144 I24 N8 O8 Ru8 -","8","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.0627","0.0383","","","0.074","0.0871","","","","","","1.087","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049516","14.5","0.003","26.776","0.006","7.1309","0.0015","90","","90","","90","","2768.6","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","1","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.0697","0.059","","","0.1242","0.1285","","","","","","1.247","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049620","17.8883","0.0019","22.588","0.002","10.5492","0.0011","90","","90","","90","","4262.5","0.7","200","2","200","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 K2 N4 -","- C18 H30 K2 N4 -","- C144 H240 K16 N32 -","8","1","","Guo, Zhiqiang; Xu, Yuan; Wu, Xiaoqin; Wei, Xuehong; Xi, Chanjuan","Potassium complexes containing bidentate pyrrole ligands: synthesis, structures, and catalytic activity for the cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8116","8121","10.1039/c9dt01246j","","","0.71073","MoKα","","0.0853","0.0657","","","0.187","0.2036","","","","","","1.037","","","","has coordinates","224428","2020-10-21","18:00:00",""
"7049671","18.7918","0.0006","23.7918","0.0007","35.3639","0.0011","90","","90","","90","","15810.9","0.8","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C148 H92 N16 O24 Re4 -","- C148 H92 N16 O24 Re4 -","- C592 H368 N64 O96 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.0497","0.0369","","","0.0793","0.0858","","","","","","1.046","","","","has coordinates,has disorder","224465","2020-10-21","18:00:00",""
"7049672","19.1389","0.0013","24.4265","0.0013","35.133","0.002","90","","90","","90","","16424.5","1.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C148 H100 N16 O20 Re4 -","- C148 H100 N16 O20 Re4 -","- C592 H400 N64 O80 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1468","0.0821","","","0.1764","0.2088","","","","","","1.037","","","","has coordinates","224465","2020-10-21","18:00:00",""
"7049673","18.7295","0.0017","24.537","0.002","34.743","0.003","90","","90","","90","","15967","2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H92 N16 O16 Re4 -","- C144 H92 N16 O16 Re4 -","- C576 H368 N64 O64 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1056","0.0562","","","0.113","0.1408","","","","","","1.052","","","","has coordinates","224465","2020-10-21","18:00:00",""
"7049840","21.9023","0.0014","10.7081","0.0007","23.4319","0.0016","90","","90","","90","","5495.5","0.6","100","2","100","2","","","","","","","synthetical product","6","P c c n","-P 2ab 2ac","56","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitrophe-nolato-N,O]-oxo-rhenium(V)","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitrophe-nolato-N,O]-oxo-rhenium(V)","","- C22 H22 Cl N4 O9 Re -","- C22 H22 Cl N4 O9 Re -","- C176 H176 Cl8 N32 O72 Re8 -","8","1","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0426","0.0356","","","0.1001","0.1026","","","","","","1.087","","","","has coordinates,has disorder","224425","2020-10-21","18:00:00",""
"7050223","10.7371","0.0017","14.083","0.003","17.183","0.003","90","","90","","90","","2598.3","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C20 H20 Cl4 F6 Fe N4 O2 P -","- C20 H18 Cl4 F6 Fe N4 O2 P -","- C80 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.2513","0.0816","","","0.1574","0.2337","","","","","","0.933","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050224","10.4143","0.0019","13.959","0.003","16.933","0.005","90","","90","","90","","2461.6","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H20 Cl5 Fe N4 O6 -","- C20 H20 Cl5 Fe N4 O6 -","- C80 H80 Cl20 Fe4 N16 O24 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.0737","0.0458","","","0.113","0.1248","","","","","","1.018","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050352","18.789","0.0003","27.742","0.0005","12.473","0.0007","90","","90","","90","","6501.5","0.4","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C71 H64.5 N14.5 O9 Zn -","- C56 H52 N12 O4 Zn -","- C224 H208 N48 O16 Zn4 -","4","0.5","","Israel Goldberg; Mikki Vinodu","Complexes of hexamethylenetetramine with zinc-tetraarylporphyrins, and their assembly modes in crystals as clathrates and hydrogen-bonding network polymers","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0937","0.0549","","","0.1475","0.1588","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050520","16.8678","0.0012","17.776","0.002","19.036","0.002","90","","90","","90","","5707.8","1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H24 O6 W -","- C36 H24 O6 W -","- C288 H192 O48 W8 -","8","1","","Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.","Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy","New Journal of Chemistry","2003","27","4","684","","10.1039/b211997h","","","0.71073","MoKα","","0.0396","0.0207","","","0.0445","0.0515","","","","","","0.998","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050561","12.2414","0.0002","13.1257","0.0002","27.1081","0.0004","90","","90","","90","","4355.65","0.12","173","","173","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H27 Cl11 Co N4 O8 -","- C31 H24 Cl11 Co0.5 N4 O8 -","- C124 H96 Cl44 Co2 N16 O32 -","4","0.5","","Grosshans, Philippe; Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Gradual increase in the dimensionality of cobalt and mercury coordination networks based on conformation of tetradentate tectons","New Journal of Chemistry","2003","27","5","793","","10.1039/b301351k","","","0.71073","Mo-Kα","","0.109","0.08","","0.199","","0.093","","","1.453","","","1.069","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050869","9.479","0.004","12.308","0.005","14.402","0.005","90","","90","","90","","1680.2","1.1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","bis(4-cyanopyridine)-bis(dicyanamide)-manganese(II)","","- C16 H8 Mn N10 -","- C16 H8 Mn N10 -","- C64 H32 Mn4 N40 -","4","0.5","","Dalai, Sudipta; Sarathi Mukherjee, Partha; Zangrando, Ennio; Ray Chaudhuri, Nirmalendu","Synthesis, crystal structure and magnetic properties of two new dicyanamide bridged 2D and 1D complexes of Mn(ii)","New Journal of Chemistry","2002","26","9","1185","","10.1039/b202431b","","","0.71073","mokα","","0.0458","0.0383","","","0.1046","0.112","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7052878","33.741","0.006","17.823","0.003","21.667","0.004","90","","90","","90","","13030","4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C72 H88 N6 O9 -","- C72 H88 N6 O9 -","- C576 H704 N48 O72 -","8","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1104","0.0899","","","0.2024","0.215","","","","","","1.198","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7053303","17.336","0.002","26.055","0.003","7.4114","0.0009","90","","90","","90","","3347.7","0.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","[Methoxy(2-phenylthiazol-5-yl)carbene]pentacarbonyltungsten(0)","Pentacarbonyl[methoxy(2-phenylthiazol-5-yl)methylidene]tungsten","","- C16 H9 N O6 S W -","- C16 H9 N O6 S W -","- C128 H72 N8 O48 S8 W8 -","8","1","","Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.","Fischer-type tungsten acyl (carbeniate), carbene and carbyne complexes bearing C5-attached thiazolyl substituents: interaction with gold(i) fragments","New Journal of Chemistry","2010","34","3","458","","10.1039/b9nj00413k","","","0.71073","MoKα","","0.0366","0.0312","","","0.0697","0.0719","","","","","","1.102","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7053639","14.202","0.004","14.267","0.004","11.223","0.003","90","","90","","90","","2274","1.1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","(2,4-dinitrophenyl)(4H-1,2,4-triazole-4-ylamino)methanol","(2,4-dinitrophenyl)(4H-1,2,4-triazole-4-ylamino)methanol","","- C9 H8 N6 O5 -","- C9 H8 N6 O5 -","- C72 H64 N48 O40 -","8","1","","Barys, Maciej; Ciunik, Zbigniew; Drabent, Krzysztof; Kwiecień, Anna","Stable hemiaminals containing a triazole ring","New Journal of Chemistry","2010","34","11","2605","","10.1039/c0nj00346h","","","0.71073","MoKα","","0.0732","0.0481","","","0.1054","0.1141","","","","","","1.161","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7055138","9.7473","0.0009","17.3697","0.0015","18.2266","0.0018","90","","90","","90","","3085.9","0.5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C26 H22 Co N10 Na O6 S4 -","- C26 H22 Co N10 Na O6 S4 -","- C104 H88 Co4 N40 Na4 O24 S16 -","4","0.5","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.1101","0.0657","","","0.1129","0.1274","","","","","","1.082","","","","has coordinates,has disorder","171302","2020-10-21","18:00:00",""
"7056459","10.5797","0.0014","11.7633","0.0015","30.267","0.004","90","","90","","90","","3766.8","0.9","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H56 N7 O15 Tb -","- C24 H56 N7 O15 Tb -","- C96 H224 N28 O60 Tb4 -","4","0.5","","Zhang, Shi-Yong; Liao, Jin-Sheng; Xu, Wei-Jian; Liang, Fu-Yong; Peng, Guang-Huai; Liu, Sui-Jun; Wen, He-Rui; Du, Zi-Yi","Structural phase transitions, dielectric bistability and luminescence of two bulky ion-pair crystals [N(C3H7)4]2[Ln(NO3)5] (Ln = Tb, Dy)","New J. Chem.","2017","","","","","10.1039/C7NJ01597F","","","0.71073","MoKα","","0.0627","0.0581","","","0.1115","0.1129","","","","","","1.361","","","","has coordinates","199338","2020-10-21","18:00:00",""
"7056460","10.5239","0.0008","11.7488","0.0009","30.109","0.002","90","","90","","90","","3722.8","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H56 Dy N7 O15 -","- C24 H56 Dy N7 O15 -","- C96 H224 Dy4 N28 O60 -","4","0.5","","Zhang, Shi-Yong; Liao, Jin-Sheng; Xu, Wei-Jian; Liang, Fu-Yong; Peng, Guang-Huai; Liu, Sui-Jun; Wen, He-Rui; Du, Zi-Yi","Structural phase transitions, dielectric bistability and luminescence of two bulky ion-pair crystals [N(C3H7)4]2[Ln(NO3)5] (Ln = Tb, Dy)","New J. Chem.","2017","","","","","10.1039/C7NJ01597F","","","0.71073","MoKα","","0.0509","0.0451","","","0.0831","0.0849","","","","","","1.256","","","","has coordinates","199338","2020-10-21","18:00:00",""
"7056610","33.17","0.007","3.969","0.0008","13.572","0.003","90","","90","","90","","1786.8","0.7","298","2","298","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Azadbakht, Reza; Hakimi, Mohammad; Khanabadi, Javad; Amiri Rudbari, Hadi","A new macrocyclic ligand as a turn-on fluorescent chemosensor for the recognition of Pb2+ ions","New J. Chem.","2017","","","","","10.1039/C7NJ02873C","","","0.71069","MoKα","","0.1","0.0504","","","0.113","0.1366","","","","","","1.065","","","","has coordinates","200964","2020-10-21","18:00:00",""
"7057178","16.928","0.012","17.377","0.003","12.031","0.002","90","","90","","90","","3539","3","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H22 N5 O2.5 -","- C17 H22 N5 O2.5 -","- C136 H176 N40 O20 -","8","1","","Beliaev, Nikolai A.; Shafikov, Marsel Z.; Efimov, Ilya V.; Beryozkina, Tetyana V.; Lubec, Gert; Dehaen, Wim; Bakulev, Vasiliy A.","Design and synthesis of imidazoles linearly connected to carbocyclic and heterocyclic ringsviaa 1,2,3-triazole linker. Reactivity of β-azolyl enamines towards heteroaromatic azides","New Journal of Chemistry","2018","42","9","7049","","10.1039/C7NJ04243D","","","1.54184","CuKα","","0.1177","0.0538","","","0.0701","0.0728","","","","","","1.005","","","","has coordinates","230430","2020-10-21","18:00:00",""
"7057284","22.513","0.009","13.334","0.005","17.261","0.007","90","","90","","90","","5182","4","123","2","123","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C59.73 H64 Cl0.27 N1.74 O2 P4 Ru -","- C59.736 H64 Cl0.264 N1.736 O2 P4 Ru -","- C238.944 H256 Cl1.056 N6.944 O8 P16 Ru4 -","4","0.5","","Wang, Yong; Zhu, Xiaoquan; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, and magnetic properties of cyanide-bridged complexestrans-RuII(dppe)2(CN)2(FeIIIX3)2(X = Cl and Br)","New Journal of Chemistry","2018","42","11","9051","","10.1039/C7NJ05048H","","","0.71073","MoKα","","0.0375","0.0363","","","0.0952","0.0963","","","","","","1.007","","","","has coordinates,has disorder","230537","2020-10-21","18:00:00",""
"7057447","7.7918","0.0003","10.4242","0.0004","29.289","0.0013","90","","90","","90","","2378.95","0.17","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H10 N10 O7 -","- C4 H10 N10 O7 -","- C32 H80 N80 O56 -","8","1","","Cao, Yupeng; Huang, Haifeng; Lin, Xiangyang; Yang, Jun; Gong, Xuedong","Synthesis and properties of 5,5′-dinitramino-3,3′-bi(1,2,4-oxadiazole) and its energetic salts","New Journal of Chemistry","2018","42","14","11390","","10.1039/C8NJ01683F","","","0.71073","MoKα","","0.0379","0.0319","","","0.1022","0.1105","","","","","","1.09","","","","has coordinates","230401","2020-10-21","18:00:00",""
"7057705","12.5664","0.0012","25.691","0.003","9.7169","0.0009","90","","90","","90","","3137","0.6","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H18 Cl4 Cu N8 -","- C26 H18 Cl4 Cu N8 -","- C104 H72 Cl16 Cu4 N32 -","4","0.5","","Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.","Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds","New Journal of Chemistry","2018","42","19","16335","","10.1039/C8NJ03080D","","","0.71075","MoKα","","0.1882","0.0879","","","0.2132","0.2614","","","","","","0.96","","","","has coordinates","230322","2020-10-21","18:00:00",""
"7057752","17.429","0.0004","14.9664","0.0004","15.2497","0.0004","90","","90","","90","","3977.87","0.17","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H17 N5 O6 S -","- C20 H17 N5 O6 S -","- C160 H136 N40 O48 S8 -","8","1","","Ramezanpour, Sorour; Rezaei, Mohammad Nasim; Vaezghaemi, Aref; Rominger, Frank","Facile synthesis of novel 3,4,5-trisubstituted-1,2,4-triazin-6(1H)-ones via a sequential Ugi‒Smiles type/nucleophilic substitution/cyclization reaction","New Journal of Chemistry","2018","42","21","17533","","10.1039/C8NJ03949F","","","1.54178","CuKα","","0.0496","0.0367","","","0.0901","0.0974","","","","","","1.043","","","","has coordinates,has disorder","230515","2020-10-21","18:00:00",""
"7058459","16.894","0.004","9.096","0.002","9.676","0.004","90","","90","","90","","1486.9","0.8","173","","173","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C9 H14 N10 O8 -","- C9 H14 N10 O8 -","- C36 H56 N40 O32 -","4","0.5","","Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua","Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone","New Journal of Chemistry","2019","43","26","10429","","10.1039/C9NJ01932D","","","0.71073","MoKα","","0.1738","0.0618","","","0.0612","0.0735","","","","","","1.006","","","","has coordinates,has disorder","224788","2020-10-21","18:00:00",""
"7058665","22.7717","0.0016","23.2726","0.0015","22.1771","0.0014","90","","90","","90","","11752.9","1.3","299","2","299","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C123 H110 Cl4 Cu4 O P8 S4 -","- C123 H110 Cl4 Cu4 O P8 S4 -","- C492 H440 Cl16 Cu16 O4 P32 S16 -","4","0.5","","Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei","Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands","New Journal of Chemistry","2019","43","34","13408","","10.1039/C9NJ01417A","","","0.71073","MoKα","","0.0752","0.0481","","","0.1177","0.1314","","","","","","1.111","","","","has coordinates","224973","2020-10-21","18:00:00",""
"7058778","6.042","0.005","9","0.008","13.277","0.011","90","","90","","90","","722","1.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H6 F2 N4 O4 -","- C3 H6 F2 N4 O4 -","- C12 H24 F8 N16 O16 -","4","0.5","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0406","0.0361","","","0.0911","0.0948","","","","","","1.061","","","","has coordinates","224986","2020-10-21","18:00:00",""
"7058835","28.13","0.006","10.184","0.002","12.882","0.003","90","","90","","90","","3690.4","1.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H46 N2 O6 Sn -","- C42 H46 N2 O6 Sn -","- C168 H184 N8 O24 Sn4 -","4","0.5","","Vinayak, Richa; Nayek, Hari Pada","Selective sensing of a Cu(ii) ion by organotin anchored keto-enamine ligands","New Journal of Chemistry","2019","43","40","16050","","10.1039/C9NJ03204E","","","0.71073","MoKα","","0.0312","0.0264","","","0.0718","0.074","","","","","","1.056","","","","has coordinates","224868","2020-10-21","18:00:00",""
"7058900","26.3912","0.0006","14.1307","0.0003","14.7958","0.0003","90","","90","","90","","5517.7","0.2","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H23 Cl2 N5 O8 Zn -","- C26 H23 Cl2 N5 O8 Zn -","- C208 H184 Cl16 N40 O64 Zn8 -","8","1","","Gao, Yingchun; Zhao, Yingguo; Song, Xiao-Wei; Huang, Rong-Yi; Meng, Yan; Wang, Junwei; Wang, Wenjing; Chen, Chengneng","Electrocatalytic Reduction of Protons to Hydrogen by a Copper Complex of the Pentadentate Ligand Dmphen-DPA in Nonaqueous Electrolyte","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04275J","","","0.71073","MoKα","","","0.0559","","","0.1541","0.1698","","","","","","1.046","","","","has coordinates,has disorder","219448","2020-10-21","18:00:00",""
"7058960","7.997","0.0002","16.9851","0.0007","16.046","0.0007","90","","90","","90","","2179.53","0.14","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H16 Cl2 N2 Pt -","- C6 H16 Cl2 N2 Pt -","- C48 H128 Cl16 N16 Pt8 -","8","1","","Mahata, Sujay; Mukherjee, Subhajit; Tarai, Swarup Kumar; Pan, Angana; Mitra, Ishani; Pal, Soumojit; Maitra, Sudipta; Moi, Sankar Ch.","Synthesis and characterization of Pt(II) based potent anticancer agents with minimum normal cell toxicity: their bio-activity and DNA binding property","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03108A","","x-ray","1.54184","CuKα","","0.0546","0.0526","","","0.1463","0.1482","","","","","","1.252","","","","has coordinates","222245","2020-10-21","18:00:00",""
"7059613","21.042","0.0009","15.9328","0.0007","10.1429","0.0005","90","","90","","90","","3400.5","0.3","128.15","","128.15","","","","","","","","","3","P c c n","-P 2ab 2ac","56","tc-tc","tcaz-tcaz","","- C40 H48 N2 -","- C40 H48 N2 -","- C160 H192 N8 -","4","0.5","","Zhou, Dandan; Zhang, Bingqian; Yu, Zhenyi; Liao, Qing; Fu, Hongbing","tert-Butyl-substituted bicarbazole as a bipolar host material for efficient green and yellow PhOLEDs","New Journal of Chemistry","2020","44","25","10472","10478","10.1039/D0NJ01210F","","x-ray","0.71073","MoKα","","0.0673","0.0516","","","0.1242","0.1343","","","","","","1.038","","","","has coordinates,has disorder","257791","2020-10-21","18:00:00",""
"7059958","10.2809","0.0014","26.782","0.004","9.9687","0.0013","90","","90","","90","","2744.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C17 H15 Fe N O -","- C17 H15 Fe N O -","- C136 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0322","0.0273","","","0.065","0.068","","","","","","1.033","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7060031","19.1219","0.0005","20.2953","0.0005","13.6777","0.0003","90","","90","","90","","5308.1","0.2","90","0.2","90","0.2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H32 Cl14 F12 N2 S2 Sb2 -","- C37 H32 Cl14 F12 N2 S2 Sb2 -","- C148 H128 Cl56 F48 N8 S8 Sb8 -","4","0.5","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0601","0.033","","","0.0603","0.0679","","","","","","1.022","","","","has coordinates","258905","2020-11-06","12:44:52",""
"7060182","29.8017","0.0005","18.1453","0.0004","15.8102","0.0003","90","","90","","90","","8549.5","0.3","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C41 H68 Al2 N6 -","- C41 H68 Al2 N6 -","- C328 H544 Al16 N48 -","8","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0513","0.0415","","","0.11","0.1167","","","","","","1.037","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060389","33.4946","0.0015","14.0731","0.0007","23.4674","0.0011","90","","90","","90","","11061.9","0.9","150","2","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C53.19 H42.37 Cl4.37 N2 P2 Ru -","- C53.1863 H42.3726 Cl4.3726 N2 P2 Ru -","- C425.49 H338.981 Cl34.9808 N16 P16 Ru8 -","8","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0755","0.0485","","","0.1166","0.1294","","","","","","1.085","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060414","41.43","0.004","16.3457","0.0014","12.9588","0.0016","90","","90","","90","","8775.7","1.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H21 F10 N7 O -","- C44 H21 F10 N7 O -","- C352 H168 F80 N56 O8 -","8","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","1.54184","CuKα","","0.1388","0.0851","","","0.2324","0.2883","","","","","","1.017","","","","has coordinates","263809","2021-04-05","15:10:54",""
"7060923","8.8683","0.0007","9.7413","0.0007","21.2822","0.0012","90","","90","","90","","1838.5","0.2","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Fe N4 O2 P2 -","- C18 H16 Fe N4 O2 P2 -","- C72 H64 Fe4 N16 O8 P8 -","4","0.5","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0604","0.0372","","","0.0737","0.0813","","","","","","1.084","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7061079","28.8753","0.0002","13.0456","0.0001","8.0244","0.0001","90","","90","","90","","3022.76","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H11 I N3 O -","- C19 H11 I N3 O -","- C152 H88 I8 N24 O8 -","8","1","","Bartos, Paulina; Hande, Aniket A.; Pietrzak, Anna; Chrostowska, Anna; Kaszyński, Piotr","Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data","New Journal of Chemistry","2021","45","48","22876","22887","10.1039/D1NJ05137G","","","1.54184","CuKα","","0.0252","0.0234","","","0.0632","0.0642","","","","","","1.097","","","","has coordinates","271862","2022-01-06","21:47:34",""
"7061767","11.8823","0.0013","16.0031","0.0017","16.357","0.0015","90","","90","","90","","3110.3","0.6","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H34 N8 O4 S4 -","- C22 H34 N8 O4 S4 -","- C88 H136 N32 O16 S16 -","4","0.5","","Savateev, Konstantin V.; Fedotov, Victor V.; Slepukhin, Pavel A.; Ulomsky, Evgeniy N.; Rusinov, Vladimir L.","Regiospecific route to N9-alkylated thioxanthines","New Journal of Chemistry","2022","46","36","17145","17148","10.1039/D2NJ03002K","","x-ray","0.71073","MoKα","","0.2165","0.0889","","","0.2253","0.3188","","","","","","1.088","","","","has coordinates,has disorder","278449","2022-10-07","01:08:59",""
"7061877","24.03","0.002","32.02","0.003","8.3827","0.0008","90","","90","","90","","6450","1","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C24 H24.11 Br F3 N3 O13.05 S Tb -","- C24 H24.11 Br F3 N3 O13.055 S Tb -","- C192 H192.88 Br8 F24 N24 O104.44 S8 Tb8 -","8","1","","Yadav, Usha; Abbas, Zafar; Butcher, Ray J.; Patra, Ashis K.","A luminescent terbium(iii) probe as an efficient ‘Turn-ON’ sensor for dipicolinic acid, a Bacillus Anthracis biomarker","New Journal of Chemistry","2022","46","38","18285","18294","10.1039/D2NJ03437A","","","0.71073","MoKα","","0.0539","0.0378","","","0.077","0.086","","","","","","1.055","","","","has coordinates,has disorder","278471","2022-10-07","01:16:14",""
"7061894","5.6257","0.0019","18.091","0.004","16.167","0.004","90","","90","","90","","1645.4","0.8","110","3","110","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H18 N6 O -","- C19 H18 N6 O -","- C76 H72 N24 O4 -","4","0.5","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","0.71073","MoKα","","0.0559","0.0491","","","0.1238","0.1312","","","","","","1.06","","","","has coordinates,has disorder","279021","2022-11-07","05:43:18",""
"7062014","11.967","0.003","20.063","0.004","23.56","0.004","90","","90","","90","","5657","2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C48 H54 Co2 N6 Ni2 O12 S2 -","- C48 H54 Co2 N6 Ni2 O12 S2 -","- C192 H216 Co8 N24 Ni8 O48 S8 -","4","0.5","","Das, Manik; Das, Mainak; Ray, Subham; Das, Uttam Kumar; Laha, Soumik; Ray, Partha Pratim; Samanta, Bidhan Chandra; Maity, Tithi","Synthesis and crystal structures of two tri- and tetra-heterometallic Ni(ii)–Mn(ii)/Ni(ii)–Co(iii) complexes from two different Ni(ii)-containing metalloligands: effective catalytic oxidase activity and Schottky device approach","New Journal of Chemistry","2022","46","44","21103","21114","10.1039/D2NJ03535A","","","0.71073","MoKα","","0.0751","0.0385","","","0.0749","0.0932","","","","","","1.035","","","","has coordinates,has disorder","280179","2023-01-06","09:50:03",""
"7062243","22.3632","0.0016","7.4787","0.0006","18.622","0.0015","90","","90","","90","","3114.5","0.4","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C34 H34 Li2 N4 O2 S2 -","- C34 H34 Li2 N4 O2 S2 -","- C136 H136 Li8 N16 O8 S8 -","4","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0501","0.039","","","0.0944","0.1009","","","","","","1.044","","","","has coordinates","281533","2023-03-04","18:35:30",""
"7062381","18.8458","0.0006","29.6617","0.0011","27.42","0.0011","90","","90","","90","","15327.7","1","150","0.14","150.15","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C71 H43 Cl20 Cr Fe N8 O2 Sn -","- C59 H35 Cl16 Cr Fe N8 O2 Sn -","- C472 H280 Cl128 Cr8 Fe8 N64 O16 Sn8 -","8","1","","Romanenko, Nikita R.; Faraonov, Maxim A.; Osipov, Nikita G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Heterotrimetallic paramagnetic complex of ring reduced tin(ii) hexadecachlorophthalocyanine","New Journal of Chemistry","2023","47","14","6924","6931","10.1039/D3NJ00506B","","","0.71073","MoKα","","0.1562","0.097","","","0.2385","0.2776","","","","","","1.029","","","","has coordinates","283404","2023-05-05","03:02:09",""
"7062529","11.6865","0.0005","20.4883","0.0007","6.3886","0.0003","90","","90","","90","","1529.66","0.11","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H5 Cu N O5 -","- C7 H5 Cu N O5 -","- C56 H40 Cu8 N8 O40 -","8","1","","Karmakar, Gourab; Tyagi, Adish; Wadawale, A. P.; Chauhan, Rohit Singh; Vats, Bal Govind","A 2D Cu(ii) coordination polymer constructed with 2,5-pyridinedicarboxylic acid linker: synthesis, structural analysis and its selective transformation into Cu and CuO nanoparticles","New Journal of Chemistry","2023","47","30","14297","14305","10.1039/D3NJ01906C","","x-ray","0.71073","MoKα","","0.0461","0.0332","","","0.081","0.0859","","","","","","1.063","","","","has coordinates","285485","2023-08-05","09:19:12",""
"7062684","12.711","0.0004","25.3176","0.0008","8.7136","0.0003","90","","90","","90","","2804.14","0.16","99.99","","99.99","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Cu2 N2 O8 Se2 -","- C18 H20 Cu2 N2 O8 Se2 -","- C72 H80 Cu8 N8 O32 Se8 -","4","0.5","","Pal, Manoj K.; Karmakar, Gourab; Shah, Alpa Y.; Tyagi, Adish; Bhuvanesh, Nattamai; Dey, Sandip","Accessing copper selenide nanostructures through a 1D coordination polymer of copper(ii) with 4,4′-dipyridyldiselenide as a molecular precursor","New Journal of Chemistry","2023","47","36","16954","16963","10.1039/D3NJ02062B","","","1.54178","CuKα","","0.028","0.0235","","","0.0613","0.0632","","","","","","1.067","","","","has coordinates","286768","2023-10-06","00:30:55",""
"7062924","7.4376","0.0001","11.9779","0.0003","22.9882","0.0005","90","","90","","90","","2047.95","0.07","290.15","","290.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C9 H6 Cl2 N Ni0.5 O3 -","- C9 H6 Cl2 N Ni0.5 O3 -","- C72 H48 Cl16 N8 Ni4 O24 -","8","1","","Wang, Le; Li, Yong-Shuang; Wang, Meidi; Wu, Zhuo-Hao; Wu, Ya-Pan; Cao, Yu; Wu, Xue-Qian; Li, Dong-Sheng","Halogen-engineered metal–organic frameworks enable high-performance electrochemical glucose sensing","New Journal of Chemistry","2024","48","4","1495","1501","10.1039/D3NJ05053J","","x-ray","1.54184","CuKα","","0.0556","0.0441","","","0.1111","0.1163","","","","","","1.063","","","","has coordinates","289587","2024-02-04","12:21:38",""
"7063202","18.8458","0.0006","29.6617","0.0011","27.42","0.0011","90","","90","","90","","15327.7","1","150","0.14","150.15","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C71 H43 Cl20 Cr Fe N8 O2 Sn -","- C59 H35 Cl16 Cr Fe N8 O2 Sn -","- C472 H280 Cl128 Cr8 Fe8 N64 O16 Sn8 -","8","1","","Finogenov, Daniil; Faraonov, Maxim A.; Kopylova, Alina S.; Ivanov, Timur E.; Romanenko, Nikita R.; Yakushev, Ilya; Konarev, Dmitri V.; Stuzhin, Pavel A.","Perchlorinated vanadyl tetrapyrazinoporphyrazine: spectral, redox and magnetic properties","New Journal of Chemistry","2024","","","","","10.1039/D4NJ01145G","","","0.71073","MoKα","","0.1562","0.097","","","0.2385","0.2776","","","","","","1.029","","","","has coordinates","291784","2024-05-09","00:28:58",""
"7100021","25.6673","0.0002","13.4786","0.0003","13.5486","0.0006","90","","90","","90","","4687.3","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C28 H42 Cu4 N24 O3 W2 -","- C28 H36 Cu4 N24 O3 W2 -","- C112 H144 Cu16 N96 O12 W8 -","4","0.5","","Barbara Sieklucka; Maria Balanda; Tomasz Korzeniak; Kazimierz Kowalski; Robert Pelka; K. Stadnicka; Krzysztof Tomala","An unprecedented copper (I,II) octacyanotungstate(V) 2-D network: crystal structure and magnetism of [CuII(tren)]{CuI[WV(CN)8]}*1.5H2O","Chemical Communications","2005","","","","","10.1039/b502308d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100136","21.794","0.001","45.754","0.001","12.395","0.001","90","","90","","90","","12359.8","1.2","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C56 H76 Cl2 Hg N2 O12 S2 -","- C56 H76 Cl2 Hg N2 O12 S2 -","- C448 H608 Cl16 Hg8 N16 O96 S16 -","8","1","","de Namor,Angela F. Danil; Eduardo E. Castellano; Samir Chahine; H. Donald Brooke Jenkins; Oscar E. Piro","A Preliminary Observation of Additive Thermodynamic Contribution of Pendant Arms to the Complexation of Calixarene Derivatives with Mercury (II)","Chemical Communications","2005","","","","","10.1039/b505408g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101038","12.125","0.003","23.399","0.005","7.0102","0.0014","90","","90","","90","","1988.8","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H4.5 N2 O8.25 Pb -","- C7 H2 N2 O8.25 Pb -","- C56 H16 N16 O66 Pb8 -","8","1","","Xiaoju Li; Rong Cao; Zhengang Guo; Jian Lu","Hydroxyl-Directed Dinitration of Carboxylate Ligands Mediated by Lead and Nickel Nitrates and Preparation of Pb/Ni Heterometallic Complexes under Hydrothermal Conditions","Chemical Communications","2006","","","","","10.1039/b600684a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101198","27.6383","0.0005","10.599","0.0002","22.8711","0.0004","90","","90","","90","","6699.8","0.2","183","2","183","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H33 F4 Ni O3.5 P2 -","- C32 H33 F4 Ni O3.5 P2 -","- C256 H264 F32 Ni8 O28 P16 -","8","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1175","0.071","","","0.1873","0.2092","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101886","27.425","0.001","15.739","0.001","23.156","0.001","90","","90","","90","","9995.1","0.8","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H39 Br6 N6 O6 Yb -","- C42 H39 Br6 N6 O6 Yb -","- C336 H312 Br48 N48 O48 Yb8 -","8","1","","Albrecht, Markus; Osetska, Olga; Klankermayer, Jürgen; Fröhlich, Roland; Gumy, Frédéric; Bünzli, Jean-Claude G","Enhancement of near-IR emission by bromine substitution in lanthanide complexes with 2-carboxamide-8-hydroxyquinoline.","Chemical communications (Cambridge, England)","2007","","18","1834","1836","10.1039/b618918k","","","0.71073","MoKα","","0.1343","0.0773","","","0.2013","0.2277","","","","","","1.07","","","","has coordinates","180120","2020-10-21","18:00:00",""
"7102008","27.092","0.007","14.512","0.006","6.141","0.0018","90","","90","","90","","2414.3","1.3","123","2","123","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C120 H120 N24 -","8","1","","Maeda, Hiromitsu; Hasegawa, Masahiro; Ueda, Atsushi","Hydrogen bonding self-assemblies with 1-D linear, dimeric and hexagonal nanostructures of meso-pyridyl-substituted dipyrromethanes.","Chemical communications (Cambridge, England)","2007","","26","2726","2728","10.1039/b703236f","","","0.71075","MoKα","","0.0595","0.0525","","","0.1434","0.1487","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102415","10.529","0.0001","18.2873","0.0002","20.6979","0.0003","90","","90","","90","","3985.32","0.08","293","2","293","2","","","","","","","synthesis as described","6","P c c n","-P 2ab 2ac","56","","","","- C40 H34 Mo O4 P2 S4 -","- C40 H34 Mo O4 P2 S4 -","- C160 H136 Mo4 O16 P8 S16 -","4","0.5","","Lorcy, Dominique; Guerro, Michel; Pellon, Pascal; Carlier, Roger","Unprecedented metal template effect on the coupling of dithiafulvene moieties.","Chemical communications (Cambridge, England)","2004","","2","212","213","10.1039/b311197k","","x-ray","0.71073","MoKα","","0.0706","0.0363","","","0.0713","0.0857","","","","","","1.086","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102420","15.923","0.0007","32.0114","0.0015","14.5787","0.0007","90","","90","","90","","7431","0.6","150","1","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C25 H26 Ag2 Cl2 F12 N12 Sb2 -","- C25 H26 Ag2 Cl2 F12 N12 Sb2 -","- C200 H208 Ag16 Cl16 F96 N96 Sb16 -","8","1","","Dong, Yu-Bin; Zhao, Xia; Tang, Bo; Wang, Huai-You; Huang, Ru-Qi; Smith, Mark D; Zur Loye, Hans-Conrad","Novel organic-inorganic composite coordination polymers generated from new multidentate Schiff-base ligand and Ag(I) salts.","Chemical communications (Cambridge, England)","2004","","2","220","221","10.1039/b311510k","","","0.71073","MoKα","","0.0506","0.045","","","0.1273","0.1323","","","","","","1.052","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102584","32.177","0.006","15.395","0.003","29.607","0.006","90","","90","","90","","14666","5","200","2","200","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C69.13 H57.38 Cu3 N15 Na0.13 O13 S -","- C69.38 H54.78 Cu3 N15 Na0.125 O13.01 S -","- C555.04 H438.24 Cu24 N120 Na O104.08 S8 -","8","1","","Maurizot, Victor; Linti, Gerald; Huc, Ivan","Solid state characterization of oligopyridine dicarboxamide helicates.","Chemical communications (Cambridge, England)","2004","","8","924","925","10.1039/b317078k","","","0.71073","MoKα","","0.1095","0.0672","","","0.1857","0.2067","","","","","","0.942","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7103121","16.642","0.003","22.87","0.005","16.258","0.003","90","","90","","90","","6188","2","93","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H42 Co2 F18 N8 O4 P3 -","- C50 H42 Co2 F18 N8 O4 P3 -","- C200 H168 Co8 F72 N32 O16 P12 -","4","0.5","","Li, Bao; Tao, Jun; Sun, Hao-Ling; Sato, Osamu; Huang, Rong-Bin; Zheng, Lan-Sun","Side-effect of ancillary ligand on electron transfer and photodynamics of a dinuclear valence tautomeric complex.","Chemical communications (Cambridge, England)","2008","","19","2269","2271","10.1039/b801171k","","","0.71073","MoKα","","0.1589","0.0776","","","0.1538","0.1681","","","","","","0.918","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103212","12.048","0.001","15.155","0.001","19.428","0.001","90","","90","","90","","3547.3","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H58 Mg O2 Si4 -","- C28 H58 Mg O2 Si4 -","- C112 H232 Mg4 O8 Si16 -","4","0.5","","Solomon, Sophia A; Muryn, Christopher A; Layfield, Richard A","s-Block metal complexes of a bulky, donor-functionalized allyl ligand.","Chemical communications (Cambridge, England)","2008","","27","3142","3144","10.1039/b803364a","","","0.71069","MoKα","","0.1348","0.0572","","","0.0859","0.1075","","","","","","0.925","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103532","11.9244","0.0008","21.6165","0.0014","11.3781","0.0007","90","","90","","90","","2932.9","0.6","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H30 F12 N2 P2 Pt S6 -","- C16 H30 F12 N2 P2 Pt S6 -","- C64 H120 F48 N8 P8 Pt4 S24 -","4","0.5","","Stephen, Emma; Blake, Alexander J; Davies, E Stephen; McMaster, Jonathan; Schröder, Martin","The structural characterisation and elucidation of the electronic structure of the mononuclear Pt(iii) complex [Pt([9]aneS(3))(2)](3+) ([9]aneS(3) = 1,4,7-trithiacyclononane).","Chemical communications (Cambridge, England)","2008","","44","5707","5709","10.1039/b811645h","","","0.71073","MoKα","","0.0343","0.0287","","","0.0617","0.0651","","","","","","1.05","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103656","15.2536","0.0004","34.702","0.001","7.121","0.0002","90","","90","","90","","3769.36","0.18","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H24 N2 -","- C24 H24 N2 -","- C192 H192 N16 -","8","1","","Bhattacharyya, Sibaprasad; Clark, Aurora E.; Pink, Maren; Zaleski, Jeffrey M.","Isolation of electronic from geometric contributions to Bergman cyclization of metalloenediynes","Chemical Communications (Cambridge, United Kingdom)","2003","","10","1156","1157","10.1039/b301690k","","","0.71073","MoKα","","0.0653","0.048","","","0.1315","0.1462","","","","","","1.1","","","","has coordinates","209757","2020-10-21","18:00:00",""
"7104144","15.99842","0.00007","30.52231","0.00013","12.73593","0.00006","90","","90","","90","","6219.07","0.05","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H35 N O6 S2 -","- C34 H35 N O6 S2 -","- C272 H280 N8 O48 S16 -","8","1","","Carballares, Santiago; Craig, Donald; Hyland, Christopher J T; Lu, Pengfei; Mathie, Tanya; White, Andrew J P","Highly regioselective ring-opening of trisubstituted aziridines by sulfur-stabilised carbanions.","Chemical communications (Cambridge, England)","2009","34","4","451","453","10.1039/b815971h","","","1.54248","CuKα","","0.0469","0.0375","","","0.1052","0.1111","","","","","","1.071","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104204","15.6605","0.0004","19.4998","0.0005","5.49619","0.00011","90","","90","","90","","1678.41","0.07","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H8 Br Cl -","- C8 H8 Br Cl -","- C64 H64 Br8 Cl8 -","8","1","","Braddock, D Christopher; Hermitage, Stephen A; Kwok, Lilian; Pouwer, Rebecca; Redmond, Joanna M; White, Andrew J P","The generation and trapping of enantiopure bromonium ions.","Chemical communications (Cambridge, England)","2009","34","9","1082","1084","10.1039/b816914d","","","0.71073","MoKα","","0.1011","0.0375","","","0.0872","0.1152","","","","","","1.087","","","","has coordinates,has disorder","180145","2020-10-21","18:00:00",""
"7105007","23.5445","0.0009","11.4051","0.0005","19.7011","0.0007","90","","90","","90","","5290.3","0.4","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C58 H56 Ge O2 P4 S4 -","- C58 H56 Ge O2 P4 S4 -","- C232 H224 Ge4 O8 P16 S16 -","4","0.5","","Foo, Cechao; Lau, Kai-Chung; Yang, Yi-Fan; So, Cheuk-Wai","Synthesis and characterization of a germanium bismethanediide complex.","Chemical communications (Cambridge, England)","2009","","44","6816","6818","10.1039/b911384c","","","0.71073","MoKα","","0.0714","0.0379","","","0.0978","0.126","","","","","","1.12","","","","has coordinates,has disorder","180154","2020-10-21","18:00:00",""
"7105987","20.7526","0.0017","17.8092","0.0014","18.617","0.0015","90","","90","","90","","6880.6","1","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H54 O12 P6 Pd6 -","- C72 H54 O12 P6 Pd6 -","- C288 H216 O48 P24 Pd24 -","4","0.5","","Qing Xu.; Ruwei Shen.; Yutaka Ono.; Ritsuko Nagahata; Shigeru Shimada; Midori Goto; Li-Biao Han","Highly Regioselective Addition and Dehydrogenative Cross-Coupling of H-Heteroatoms with Alkynes Using An Unconventional Palladacycle Catalyst","Chem.Commun.","2011","47","","2333","","10.1039/c0cc03436c","","","0.71069","MoKα","","","0.0611","","","","0.1505","","","","","","1.258","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7106337","6.964","0.0002","13.4511","0.0004","17.4989","0.0005","90","","90","","90","","1639.18","0.08","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 Cl4 N2 Re -","- C12 H12 Cl4 N2 Re -","- C48 H48 Cl16 N8 Re4 -","4","0.5","","Jose Martinez-Lillo; Teresa F. Mastropietro; Rosamaria Lappano; Antonio Madeo; Marta E. Alberto; Nino Russo; Marcello Maggiolini; Giovanni De Munno","Rhenium(IV) compounds inducing apoptosis in cancer cells","Chem.Commun.","2011","47","","5283","","10.1039/c1cc11038a","","","0.71073","MoKα","","0.0242","0.0192","","","0.0482","0.051","","","","","","1.18","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7108135","34.4374","0.0008","10.2869","0.0002","13.5539","0.0003","90","","90","","90","","4801.52","0.18","93","2","93","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C55 H68 N4 O5 -","- C55 H68 N4 O5 -","- C220 H272 N16 O20 -","4","0.5","","Ja-Young Park; Kamil Skonieczny; Naoki Aratani; Atsuhiro Osuka; Daniel T. Gryko; Chang-Hee Lee","Calix[4]pyrroles bearing proximally meso-meso linking straps: synthesis and anion binding properties","Chem.Commun.","2012","48","","8060","","10.1039/c2cc33537a","","","1.54187","CuKα","","0.1136","0.0642","","","0.1634","0.2029","","","","","","1.102","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108225","30.13","0.006","13.543","0.003","19.002","0.004","90","","90","","90","","7754","3","153","2","153","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","SiR-Hg","","","- C37.5 H44 Cl N5 O S Si -","- C37.5 H41 Cl N5 O S Si -","- C300 H328 Cl8 N40 O8 S8 Si8 -","8","1","","Ting Wang; Qing-Jie Zhao; Hong-Gang Hu; Shi-Chong Yu; Xiang Liu; Li Liu; Qiu-Ye Wu","Spirolactonized Si-rhodamine: a novel NIR fluorophore utilized as a platform to construct Si-rhodamine-based probes","Chem.Commun.","2012","48","","8781","","10.1039/c2cc34159j","","","0.71073","MoKα","","0.1164","0.0851","","","0.226","0.2543","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108451","26.436","0.0004","26.115","0.0004","26.3473","0.0004","90","","90","","90","","18189.5","0.5","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C117 H133 N27 O47 Zn8 -","- C117 H133 N27 O47 Zn8 -","- C468 H532 N108 O188 Zn32 -","4","0.5","","Xiao-Jun Wang; Pei-Zhou Li; Lei Liu; Quan Zhang; Parijat Borah; Jinye Daniel Wong; Xiu Xiang Chan; Ganguly Rakesh; Yongxin Li; Yanli Zhao","Significant gas uptake enhancement by post-exchange of zinc(II) with copper(II) within a metal-organic framework","Chem.Commun.","2012","48","","10286","","10.1039/c2cc34921c","","","0.71073","MoKα","","0.0957","0.0633","","","0.1905","0.2056","","","","","","1.034","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108871","13.9586","0.0009","18.4257","0.0014","28.917","0.003","90","","90","","90","","7437.4","1.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H88 Dy3 Fe6 N31 O27 -","- C42 H88 Dy3 Fe6 N31 O27 -","- C168 H352 Dy12 Fe24 N124 O108 -","4","0.5","","Schmidt, Sebastian; Prodius, Denis; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.","Unprecedented chemical transformation: crystallographic evidence for 1,1,2,2-tetrahydroxyethane captured within an Fe~6~Dy~3~ single molecule magnet","Chemical Communications (Cambridge, United Kingdom)","2013","49","17","1696","1698","10.1039/c2cc38006d","","","0.71073","MoKα","","0.1225","0.061","","","0.1191","0.1364","","","","","","1.014","","","","has coordinates,has disorder","210830","2020-10-21","18:00:00",""
"7109387","18.1523","0.0018","18.4758","0.0019","9.9808","0.001","90","","90","","90","","3347.3","0.6","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Ji Hee Kim; Devalina Ray; Chang Seop Hong; Jin Wook Hana; Chang Ho Oh","1,3-Dipolar cycloaddition of 4-platinumisochromenyliums with an olefin and tandem insertion into benzylic C-H bonds","Chem.Commun.","2013","49","","5690","","10.1039/c3cc42525h","","","0.71073","MoKα","","0.0984","0.0631","","","0.1521","0.181","","","","","","0.994","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109404","10.1012","0.0004","13.6265","0.0006","32.2524","0.0013","90","","90","","90","","4439.3","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Hg[Co(CO)4)]2.C60.toluene","","","- C75 H8 Co2 Hg O8 -","- C75 H8 Co2 Hg O8 -","- C300 H32 Co8 Hg4 O32 -","4","0.5","","Faye L. Bowles; Marilyn M. Olmstead; Christine M. Beavers; Alan L. Balch","Reshaping molecules through cocrystallization. Comparison of the structures of Hg{Co(CO)4}2 and Hg{Co(CO)4}2*00B7;C60*00B7;toluene","Chem.Commun.","2013","49","","5921","","10.1039/c3cc41773e","","","0.7749","Synchrotron","","0.0565","0.049","","","0.1027","0.1061","","","","","","1.2","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109914","9.362","0.0004","13.932","0.0003","14.019","0.0004","90","","90","0.001","90","","1828.52","0.1","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Ashutosh S. Singh; Shih-Sheng Sun","Recyclable nitrate-templated photochemical [2+2] cycloaddition reaction promoted by a tripodal receptor","Chem.Commun.","2013","49","","10070","","10.1039/c3cc41268g","","","0.71073","MoKα","","0.0362","0.033","","","0.0836","0.0863","","","","","","1.053","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7110397","47.997","0.004","13.9845","0.0011","21.803","0.002","90","","90","","90","","14634","2","153","","153","","","","","","","","see text","7","P c c n","-P 2ab 2ac","56","","","","- C66 H99 N O12 P2 Pt Si8 -","- C66 H99 N O12 P2 Pt Si8 -","- C528 H792 N8 O96 P16 Pt8 Si64 -","8","1","","Abbenhuis, Hendrikus C. L.; van Santen, Rutger A.; Burrows, Andrew D.; Palmer, Mark T.; Kooijman, Huub; Lutz, Martin; Spek, Anthony L.","Synthesis and structural characterisation of platinum silasesquioxane complexes","Chemical Communications","1998","","23","2627","","10.1039/a808130a","","","0.71073","MoKα","","0.1172","0.0525","","","0.1071","0.1439","","","","","","1.111","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110656","9.02","0.001","12.716","0.002","17.748","0.002","90","","90","","90","","2035.7","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Bis[tetracarbonyl(trifluoroacetato)ruthenium(i)]","","- C6 F3 O6 Ru -","- C6 F3 O6 Ru -","- C48 F24 O48 Ru8 -","8","1","","Funaioli, Tiziana; Fachinetti, Giuseppe; Marchetti, Fabio","Reactive intermediates from carbonylation of ruthenium(I) carbonyl carboxylates. Isolation, molecular structures and chemical properties of dinuclear unbridged ruthenium carbonyl trifluoroacetates","Chemical Communications","1999","","20","2043","","10.1039/a905798f","","","0.71073","MoKα","","0.1001","0.0536","","","0.1287","0.1557","","","","","","1.028","","","","has coordinates,has disorder","180220","2020-10-21","18:00:00",""
"7110800","8.383","0.003","58.887","0.005","14.673","0.003","90","","90","","90","","7243","3","296.2","","296.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H61 N5 O6 -","- C30 H61 N5 O6 -","- C240 H488 N40 O48 -","8","1","","Danby, Andrew; Seib, Larry; Bowman-James, Kristin; Alcock, Nathaniel W.","Novel structural determination of a bilayer network formed by a tripodal lipophilic amide in the presence of anions","Chemical Communications","2000","","11","973","","10.1039/a909341i","","","1.5418","CuKα","","0.1473","0.063","","0.068","","0.063","","","2.291","","","3.17","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7110819","16.173","0.002","16.512","0.001","18.024","0.002","90","","90","","90","","4813.3","0.9","133.2","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H16 Br4 -","- C26 H16 Br4 -","- C208 H128 Br32 -","8","1","","Tanaka, Koichi; Fujimoto, Daisuke; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of tetra(p-bromophenyl)ethylene by exposure to the vapor of achiral guest molecules: a novel racemic-to-chiral transformation through gas‒solid reaction","Chemical Communications","2000","","5","413","","10.1039/a909782a","","","0.7107","MoK?a","","","0.0328","","","","0.032","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110997","19.572","0.006","12.747","0.004","18.649","0.006","90","","90","","90","","4653","3","238","2","238","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C37 H79 Fe2 N11 -","- C37 H79 Fe2 N11 -","- C148 H316 Fe8 N44 -","4","0.5","","Foley, Stephen R.; Yap, Glenn P. A.; Richeson, Darrin S.","Iron guanidinate complexes and formation of a novel dinuclear iron(ii) species with a dianionic μ-η2∶η2 (biguanidinate) ligand","Chemical Communications","2000","","16","1515","","10.1039/b003547p","","","0.71073","MoKα","","0.1038","0.0488","","","0.1076","0.1262","","","","","","1.044","","","","has coordinates,has disorder","180223","2020-10-21","18:00:00",""
"7111734","15.7611","0.0009","17.0636","0.0009","26.4663","0.0015","90","","90","","90","","7117.9","0.7","150","2","150","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C77.28 H72 O8 S6.56 -","- C77.279 H72 O8 S6.558 -","- C309.116 H288 O32 S26.232 -","4","0.5","","Farrugia, Louis J.; Gall, James H.; MacNicol, David D.; MacSween, Ross","The first members of the octasubstituted naphthalene spider-host series with type I (abababab) conformation: gateway to new nano-host gas storage materials","Chemical Communications","2010","46","29","5241","5243","10.1039/c0cc00655f","","x-ray","0.71073","MoKα","","0.0953","0.0777","","","0.2048","0.2134","","","","","","1.145","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111817","26.739","0.003","47.581","0.003","26.66","0.003","90","","90","","90","","33919","6","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C299 H277 B4 N17 O17 P8 Pt4 S4 -","- C149.5 H136 B2 N8.5 O8.5 P4 Pt2 S2 -","- C1196 H1088 B16 N68 O68 P32 Pt16 S16 -","8","1","","Nikolaos Karakostas; Irene M. Mavridis; Kostas Seintis; Mihalis Fakis; Eftychia N. Koini; Ioannis D. Petsalakis; George Pistolis","Highly efficient and unidirectional energy transfer within a tightly self-assembled host-guest multichromophoric array","Chem.Commun.","2014","50","","1362","","10.1039/c3cc48076c","","","1","synchrotron","","0.1335","0.1285","","","0.4147","0.4193","","","","","","1.955","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7112802","29.902","0.003","12.891","0.001","12.747","0.001","90","","90","","90","","4913.5","0.7","","","298","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Saddle-ClBr","","","- C18 Br2 Cl N6 Zn1.5 -","- C18 Br2 Cl N6 Zn1.25 -","- C144 Br16 Cl8 N48 Zn10 -","8","1","","Martí-Rujas, Javier; Matsushita, Yoshitaka; Izumi, Fujio; Fujita, Makoto; Kawano, Masaki","Solid-liquid interface synthesis of microcrystalline porous coordination networks.","Chemical communications (Cambridge, England)","2010","46","35","6515","6517","10.1039/c0cc01141j","powder diffraction","","1.3","Synchrotron","","","0.0136","","","0.0183","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112804","30.606","0.002","12.909","0.001","12.6197","0.0009","90","","90","","90","","4986","0.6","","","298","","","","","","","","","5","P c c n","-P 2ab 2ac","56","JK6 1G2(saddle-cyclohexane)","","","- C42 Br4 Cl2 N12 Zn3 -","- C21 Br2 Cl N6 Zn1.5 -","- C168 Br16 Cl8 N48 Zn12 -","8","1","","Martí-Rujas, Javier; Matsushita, Yoshitaka; Izumi, Fujio; Fujita, Makoto; Kawano, Masaki","Solid-liquid interface synthesis of microcrystalline porous coordination networks.","Chemical communications (Cambridge, England)","2010","46","35","6515","6517","10.1039/c0cc01141j","powder diffraction","","1.3","Synchrotron","","","0.0141","","","0.0189","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113139","30.2955","0.0004","12.4698","0.0001","19.6441","0.0002","90","","90","","90","","7421.13","0.14","173","","173","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C34 H29 Co F12 N7 O2 P2 -","- C34 H29 Co F12 N7 O2 P2 -","- C272 H232 Co8 F96 N56 O16 P16 -","8","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","A metallopolymer case-history: polymer, ring or ligand reaction?","Chemical communications (Cambridge, England)","2008","","42","5360","5362","10.1039/b811204e","","","0.71073","MoKα","","0.0696","0.0373","","0.074","0.0432","0.0432","","","","","","1.0935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114081","12.9409","0.0005","28.2648","0.0005","8.7103","0.0013","90","","90","","90","","3186","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H38 Cu2 N2 O11 -","- C24 H38 Cu2 N2 O11 -","- C96 H152 Cu8 N8 O44 -","4","0.5","","Belcher, Warwick J.; Longstaff, Christopher A.; Neckenig, Marcus R.; Steed, Jonathan W.","Channel-containing 1D coordination polymers based on a linear dimetallic spacer","Chemical Communications","2002","","15","1602","","10.1039/b202652j","","","0.71073","MoKα","","0.1171","0.0578","","","0.1399","0.1624","","","","","","1.024","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114223","18.1586","0.0008","14.4554","0.0006","14.4458","0.0001","90","","90","","90","","3791.9","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H32 Cl4 Fe2 N4 Zn2 -","- C40 H32 Cl4 Fe2 N4 Zn2 -","- C160 H128 Cl16 Fe8 N16 Zn8 -","4","0.5","","Braga, Dario; Polito, Marco; Bracaccini, Marco; D'Addario, Daniela; Tagliavini, Emilio; Proserpio, Davide M.; Grepioni, Fabrizia","Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl ferrocene [Fe(η5-C5H4-1-C5H4N)2] ligand. Design, synthesis and structural characterization of the complexes [Fe(η5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+","Chemical Communications","2002","","10","1080","","10.1039/b200344a","","","0.71073","MoKα","","0.1202","0.0897","","","0.1586","0.171","","","","","","1.17","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114397","17.0636","0.0008","28.066","0.001","19.7091","0.0009","90","","90","","90","","9438.8","0.7","183","2","183","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","1,4,7,10,13-pentaoxacyclopentadecane- bis(trimethylsilylmethyl)lutetium(III)- trimethylsilylmethyltriphenylborate","","- C41 H70 B Cl Lu O5 Si3 -","- C41 H70 B Cl Lu O5 Si3 -","- C328 H560 B8 Cl8 Lu8 O40 Si24 -","8","1","","Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun","The first structurally characterized cationic lanthanide‒alkyl complexesElectronic supplementary information (ESI) available: experimental and spectroscopic details. See http://www.rsc.org/suppdata/cc/b2/b201613n/","Chemical Communications","2002","","8","896","","10.1039/b201613n","","","0.71073","MoKα","","0.1445","0.0534","","","0.1207","0.1591","","","","","","0.936","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114775","19.493","0.004","10.76","0.002","17.334","0.004","90","","90","","90","","3635.7","1.3","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(CUI)4(bpds)","","","- C11.5 H10.5 Cu2 I2 N2.5 S2 -","- C11.5 H10.5 Cu2 I2 N2.5 S2 -","- C92 H84 Cu16 I16 N20 S16 -","8","1","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Gregory, Duncan H.; Hubberstey, Peter; Schröder, Martin; Deveson, Anne; Fenske, Dieter; Hanton, Lyall R.","Topological isomerism in coordination polymers","Chemical Communications","2001","","16","1432","","10.1039/b103612m","","","0.71073","MoKα","","0.039","0.0336","","","0.0916","0.0949","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115015","37.25","0.04","11.123","0.019","9.61","0.014","90","","90","","90","","3982","10","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H29 N3 O6 -","- C16 H29 N3 O6 -","- C128 H232 N24 O48 -","8","1","","Maji, Samir Kumar; Banerjee, Arindam; Drew, Michael G. B.","First crystallographic signature of amyloid-like fibril forming β-sheet assemblage from a tripeptide with non-coded amino acids","Chemical Communications","2001","","19","1946","","10.1039/b105418j","","","0.71073","MoKα","","0.1156","0.0747","","","0.1984","0.2472","","","","","","1.079","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7116021","22.085","0.009","35.163","0.014","18.194","0.007","90","","90","","90","","14129","10","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(3,5-di-tBuPh)8TAPMgH2O","Octa-(3,5-di-tert-butylphenyl)-tetraazaporphyrin magnesium monohydrate","","- C128 H168 Mg N8 O -","- C128 H168 Mg N8 O -","- C512 H672 Mg4 N32 O4 -","4","0.5","","Taniyuki Furuyama; Mitsuo Asai; Nagao Kobayashi","Control of absorption properties of tetraazaporphyrin group 15 complexes by modification of their axial ligands","Chem.Commun.","2014","50","","15101","","10.1039/C4cc07408D","","","0.71073","MoKα","","0.2129","0.0967","","","0.2113","0.2546","","","","","","0.898","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116046","18.8609","0.0015","9.2843","0.0008","16.5808","0.0014","90","","90","","90","","2903.5","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","3-acetyl-6-amino-1-(4-methoxyphenyl)-5-(methylthio)pyridin-2(1H)-one","3-acetyl-6-amino-1-(4-methoxyphenyl)-5-(methylthio)pyridin-2(1H)-one","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C120 H128 N16 O24 S8 -","8","1","","Qian Zhang; Xu Liu; Xiaoqing Xin; Rui Zhang; Yongjiu Liang; Dewen Dong","Formal [4+2] annulation of enaminones and cyanomethyl sulfur ylide: one:pot access to polysubstituted pyridin-2(1H)-ones","Chem.Commun.","2014","50","","15378","","10.1039/C4cc06665K","","","0.71073","MoKα","","0.0623","0.0458","","","0.1077","0.1181","","","","","","1.031","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116579","17.2668","0.0007","30.7845","0.0013","12.5659","0.0006","90","","90","","90","","6679.4","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H31 B Mo2 O10 Ru2 -","- C30 H31 B Mo2 O10 Ru2 -","- C240 H248 B8 Mo16 O80 Ru16 -","8","1","","Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh","An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster","Chem.Commun.","2015","51","","3828","","10.1039/C4cc09630D","","","0.71073","MoKα","","0.054","0.0358","","","0.0796","0.0878","","","","","","1.034","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7117286","32.023","0.003","27.232","0.003","28.774","0.003","90","","90","","90","","25092","4","140","2","140","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C90 H189 N30 Na5 O162 S10 U20 V20 -","- C30 N10 Na5 O162 S10 U20 V20 -","- C120 N40 Na20 O648 S40 U80 V80 -","4","0.5","","G. A. Senchyk; E. M. Wylie; S. Prizio; J. E. S. Szymanowski; G. E. Sigmon; P. C. Burns","Hybrid uranyl-vanadium nano-wheels","Chem.Commun.","2015","51","","10134","","10.1039/C5cc01524C","","","0.71073","MoKα","","0.1282","0.0756","","","0.1872","0.2056","","","","","","1.101","","","","has coordinates","139041","2020-10-21","18:00:00",""
"7117487","10.251","","16.429","","24.659","","90","","90","","90","","4152.91","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(Sn3 O2 Cl4 (Cl O4)4)2","","- Cl16 O36 Sn6 -","- Cl16 O36 Sn6 -","- Cl64 O144 Sn24 -","4","0.5","","Belin, C.; Potier, J.; Chaabouni, M.; Pascal, J.L.; Roziere, J.","Synthesis and Crystal Structure of a New Oxo Perchlorato Complex of Tin(IV): (Sn3 O2 Cl4 (Cl O4)4)2","Journal of the Chemical Society. Chemical Communications (1972-)","1980","1980","","105","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","148483","2020-10-21","18:00:00",""
"7118159","10.94396","0.00018","12.5589","0.0002","19.9805","0.0004","90","","90","","90","","2746.2","0.08","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Ag Br N2 -","- C27 H38 Ag Br N2 -","- C108 H152 Ag4 Br4 N8 -","4","0.5","","Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii","Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf","Chem.Commun.","2015","51","","17752","","10.1039/C5cc07977B","","","0.71073","MoKα","","0.0435","0.0287","","","0.058","0.0644","","","","","","1.029","","","","has coordinates","171421","2020-10-21","18:00:00",""
"7118332","12.0045","0.0011","10.8025","0.0009","11.0878","0.001","90","","90","","90","","1437.9","0.2","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H12 N6 S -","- C16 H12 N6 S -","- C64 H48 N24 S4 -","4","0.5","","Wang, Ying; Yi, Jin-Min; Zhang, Meng-Yuan; Xu, Ping; Zhao, Xiao-Jun","I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole framework: an ideal detector of cyano-containing molecules.","Chemical communications (Cambridge, England)","2016","52","15","3099","3102","10.1039/c5cc09279e","","","0.71073","MoKα","","0.0455","0.0395","","","0.1027","0.108","","","","","","1.045","","","","has coordinates","177658","2020-10-21","18:00:00",""
"7118608","31.68","0.006","38.34","0.008","41.12","0.008","90","","90","","90","","49945","17","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C1401 H1152 B16 N125 O181 P32 Pt16 S32 -","- C1412.32 H1152 B16 N129.44 O185.44 P32 Pt16 S32 -","- C1412.32 H1152 B16 N129.44 O185.44 P32 Pt16 S32 -","1","0.125","","Kaloudi-Chantzea, Antonia; Martinou, Elisabeth; Seintis, Kostas; Karakostas, Nikolaos; Giastas, Petros; Pitterl, Florian; Oberacher, Herbert; Fakis, Mihalis; Pistolis, George","Formation of a highly-ordered rigid multichromophoric 3D supramolecular network by combining ionic and coordination-driven self-assembly.","Chemical communications (Cambridge, England)","2016","52","16","3388","3391","10.1039/c5cc10335e","","","0.756","","","0.1915","0.1252","","","0.2421","0.288","","","","","","1.299","","","","has coordinates","177670","2020-10-21","18:00:00",""
"7119639","16.011","0.003","24.099","0.004","14.46","0.002","90","","90","","90","","5579.4","1.6","100","","100","","","","","","","","see text","8","P c c n","-P 2ab 2ac","56","","","","- C46 H52 B2 Br2 Cl4 F8 N4 Pd2 -","- C46 H52 B2 Br2 Cl4 F8 N4 Pd2 -","- C184 H208 B8 Br8 Cl16 F32 N16 Pd8 -","4","0.5","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.0455","0.0391","","","0.0856","0.0901","","","","","","1.208","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7119760","17.93704","0.00009","30.59463","0.00014","18.10622","0.00009","90","","90","","90","","9936.28","0.08","100","2","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C55 H42 F7 N O6 P3 S2 -","- C55 H42 F7 N O6 P3 S2 -","- C440 H336 F56 N8 O48 P24 S16 -","8","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0283","0.0269","","","0.0698","0.0708","","","","","","1.027","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119870","14.444","0.005","14.705","0.004","17.595","0.004","90","","90","","90","","3737.2","1.9","230","","230","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[Fe(PM-PEA)2(NCSe)2]","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","0.5","","Tailleur, E.; Marchivie, M.; Daro, N.; Chastanet, G.; Guionneau, P.","Thermal spin-crossover with a large hysteresis spanning room temperature in a mononuclear complex.","Chemical communications (Cambridge, England)","2017","53","35","4763","4766","10.1039/c7cc01806a","","","0.71073","MoKα","","0.1117","0.0469","","","0.1005","0.1486","","","","","","1.168","","","","has coordinates","196301","2020-10-21","18:00:00",""
"7119935","25.909","0.005","26.983","0.005","13.028","0.002","90","","90","","90","","9108","3","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C96 H128 Br6 N64 O61 -","- C96 H120 Br6 N64 O61 -","- C192 H240 Br12 N128 O122 -","2","0.25","","Wang, Pinpin; Wu, Yunlong; Zhao, Yanxia; Yu, Yang; Zhang, Mingming; Cao, Liping","Crystalline nanotubular framework constructed by cucurbit[8]uril for selective CO2 adsorption","Chem. Commun.","2017","","","","","10.1039/C7CC02074K","","","0.71073","MoKα","","0.1358","0.1198","","","0.261","0.2696","","","","","","1.126","","","","has coordinates","195322","2020-10-21","18:00:00",""
"7120066","13.9974","0.0003","23.5111","0.0005","23.6244","0.0005","90","","90","","90","","7774.7","0.3","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C40 H52 N3 O4 U -","- C39 H52 N4 O4 U -","- C312 H416 N32 O32 U8 -","8","1","","Hardy, Emily Elizabeth; Wyss, Kevin M.; Eddy, Madeleine A.; Gorden, Anne E. V.","An Example of Unusual Pyridine Donor Schiff Base Uranyl (UO22+) Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC02747H","","","0.71073","MoKα","","0.0569","0.0305","","","0.0619","0.0699","","","","","","1.01","","","","has coordinates","195946","2020-10-21","18:00:00",""
"7120701","25.6523","0.0009","12.2403","0.0005","13.5209","0.0005","90","","90","","90","","4245.5","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H42 I2 P2 -","- C52 H42 I2 P2 -","- C208 H168 I8 P8 -","4","0.5","","Belyaev, Andrey; Chen, Yi-Ting; Su, Shih-Hao; Tseng, Yu-Jui; Karttunen, Antti J.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Copper-mediated phospha-annulation to attain water-soluble polycyclic luminophores","Chem. Commun.","2017","","","","","10.1039/C7CC06882D","","","0.71073","MoKα","","0.0463","0.034","","","0.0734","0.0772","","","","","","1.112","","","","has coordinates","201191","2020-10-21","18:00:00",""
"7120811","22.881","0.002","15.2104","0.0008","7.5406","0.0007","90","","90","","90","","2624.3","0.4","293","2","293.15","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C104 H80 N32 -","8","1","","Ma, Lulu; Yuan, Zexing; Huang, Zhenguo; Jin, Jingyi; Cao, Duxia; Guan, Ruifang; Chen, Qifeng; sun, xuan","Reversible Regulating of Crystal Structures Based on Isomerization of Phenylhydrazones","Chem. Commun.","2017","","","","","10.1039/C7CC06374A","","x-ray","0.71073","MoKα","","0.1203","0.0608","","","0.1606","0.2073","","","","","","0.993","","","","has coordinates","202257","2020-10-21","18:00:00",""
"7120880","16.8782","0.0005","17.995","0.0007","31.0107","0.0008","90","","90","","90","","9418.7","0.5","150","1","150","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","local reference Estr. 1031 ""Pt4Ag2""","Compound 2","","- C60 H24 Ag2 Cl40 O8 Pt4 -","- C60 H12 Ag2 Cl40 O8 Pt4 -","- C240 H48 Ag8 Cl160 O32 Pt16 -","4","0.5","","Ara, I.; García-Monforte, M. A.; González, R.; Falvello, L. R.; Tomás, M.","A route to small clusters: a twisted half-hexagram-shaped M4(OH)4 cluster and its capacity for hosting closed-shell metals","Chemical Communications","2017","","","","","10.1039/C7CC07712B","","x-ray","0.71073","MoKα","","0.1795","0.0575","","","0.0975","0.1213","","","","","","1.094","","","","has coordinates","203399","2020-10-21","18:00:00",""
"7120966","20.571","0.001","23.494","0.001","24.097","0.001","90","","90","","90","","11646","0.9","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C107 H95 Cl25 N4 O2 Pd2 -","- C107 H95 Cl25 N4 O2 Pd2 -","- C428 H380 Cl100 N16 O8 Pd8 -","4","0.5","","Vasiuta, Roman; Stockert, Alexander; Plenio, Herbert","Alternating ring-opening metathesis polymerization by Grubbs-type catalysts with N-pentiptycenyl, N-alkyl-NHC ligands.","Chemical communications (Cambridge, England)","2018","54","14","1706","1709","10.1039/c7cc08476e","","","0.71073","MoKα","","0.1011","0.0448","","","0.102","0.119","","","","","","0.981","","","","has coordinates,has disorder","228389","2020-10-21","18:00:00",""
"7122500","13.8327","0.0003","7.4187","0.0002","11.5783","0.0003","90","","90","","90","","1188.17","0.05","300","2","300.01","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- Cs2 Na O11 Si2 U2 -","- Cs2 Na O11 Si2 U2 -","- Cs8 Na4 O44 Si8 U8 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0166","0.0155","","","0.0351","0.0355","","","","","","1.18","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122503","13.6169","0.0004","7.3529","0.0002","11.4921","0.0004","90","","90","","90","","1150.63","0.06","300","2","300.01","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- Na O11 Rb2 Si2 U2 -","- Na O11 Rb2 Si2 U2 -","- Na4 O44 Rb8 Si8 U8 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0261","0.0256","","","0.0636","0.0639","","","","","","1.232","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122665","10.116","0.0013","26.145","0.003","27.303","0.003","90","","90","","90","","7221.2","1.5","93","","93","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C36 H55 Br N4 O Ru -","- C32 H45 Br N4 Ru -","- C256 H360 Br8 N32 Ru8 -","8","1","","Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki","Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage","Chemical Communications","2018","","","","","10.1039/C8CC08384C","","","0.71075","MoKα","","0.1026","0.0609","","","0.1209","0.1374","","","","","","0.854","","","","has coordinates","212256","2020-10-21","18:00:00",""
"7122880","15.295","0.01","15.702","0.011","12.864","0.006","90","","90","","90","","3089","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H34 Co2 N20 O19 U4 -","- C52 H34 Co2 N20 O19 U4 -","- C104 H68 Co4 N40 O38 U8 -","2","0.25","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara","Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks","Chemical Communications","2019","","","","","10.1039/C8CC09757G","","x-ray","0.71073","MoKα","","0.0532","0.0401","","","0.0889","0.0926","","","","","","1.205","","","","has coordinates","213238","2020-10-21","18:00:00",""
"7122882","15.3955","0.0013","15.9373","0.0013","12.8288","0.0011","90","","90","","90","","3147.7","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H34 Ir2 N20 O19 U4 -","- C52 H34 Ir2 N20 O19 U4 -","- C104 H68 Ir4 N40 O38 U8 -","2","0.25","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara","Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks","Chemical Communications","2019","","","","","10.1039/C8CC09757G","","x-ray","0.71073","MoKα","","0.0645","0.0455","","","0.1117","0.1186","","","","","","1.084","","","","has coordinates","213238","2020-10-21","18:00:00",""
"7122883","15.1624","0.0011","15.9478","0.0011","12.7421","0.001","90","","90","","90","","3081.1","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H34 N20 O18.2 Rh2 U4 -","- C52 H34 N20 O18.2 Rh2 U4 -","- C104 H68 N40 O36.4 Rh4 U8 -","2","0.25","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara","Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks","Chemical Communications","2019","","","","","10.1039/C8CC09757G","","x-ray","0.71073","MoKα","","0.103","0.0556","","","0.1273","0.1405","","","","","","1.013","","","","has coordinates","213238","2020-10-21","18:00:00",""
"7123212","7.2552","0.0004","16.7595","0.0009","22.7809","0.001","90","","90","","90","","2770","0.2","298.15","","298.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C31 H25 B Cl2 F2 N2 -","- C31 H25 B Cl2 F2 N2 -","- C124 H100 B4 Cl8 F8 N8 -","4","0.5","","Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong","Development of BODIPY Dyes with Versatile Functional Groups at 3,5-Positions from Diacyl Peroxides via Cu(II)-Catalyzed Radical Alkylation","Chemical Communications","2019","","","","","10.1039/C9CC01602C","","","0.71073","MoKα","","0.1401","0.1217","","","0.2094","0.2182","","","","","","1.291","","","","has coordinates","214348","2020-10-21","18:00:00",""
"7123362","21.592","0.003","11.4165","0.001","15.9216","0.0016","90","","90","","90","","3924.8","0.8","150","","150","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C34 H42 F7 La N8 O7 S2 -","- C34 H42 F7 La N8 O7 S2 -","- C136 H168 F28 La4 N32 O28 S8 -","4","0.5","","Murrie, Mark; Canaj, Angelos; Singh, Mukesh Kumar; Regincós Martí, Emma; Damjanovic, Marko; Wilson, Claire; Cespedes, Oscar; Wernsdorfer, Wolfgang; Rajaraman, Gopalan","Boosting axiality in stable high-coordinate Dy(III) single-molecule magnets","Chemical Communications","2019","","","","","10.1039/C9CC00965E","","","0.71073","MoKα","","0.0404","0.0312","","","0.0762","0.0865","","","","","","1.027","","","","has coordinates","214857","2020-10-21","18:00:00",""
"7123938","27.821","0.002","7.5444","0.0006","20.4229","0.0016","90","","90","","90","","4286.6","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H11 B F10 -","- C27 H11 B F10 -","- C216 H88 B8 F80 -","8","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","1.54178","CuKα","","0.0483","0.0359","","","0.082","0.0877","","","","","","1.034","","","","has coordinates","217353","2020-10-21","18:00:00",""
"7124201","7.3012","0.0019","14.676","0.004","28.022","0.007","90","","90","","90","","3002.6","1.4","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H44 B2 N O2 -","- C32 H44 B2 N O2 -","- C128 H176 B8 N4 O8 -","4","0.5","","Feng, Rui; Yang, Wenbang; Wang, Wenqing; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","Isolable diboryl radicals acting as highly efficient reaction intermediates under mild conditions","Chemical Communications","2019","","","","","10.1039/C9CC06514H","","","0.71073","MoKα","","0.0967","0.0632","","","0.1538","0.1761","","","","","","1.035","","","","has coordinates,has disorder","218505","2020-10-21","18:00:00",""
"7124432","27.3135","0.001","21.0409","0.0008","21.4328","0.0007","90","","90","","90","","12317.4","0.8","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H56 F12 N4 O12 P2 -","- C64 H46 F12 N4 O12 P2 -","- C512 H368 F96 N32 O96 P16 -","8","1","","Yang, Fei; Liu, Caiping; Yin, Di; Xu, Yanqing; Wu, Mingyan; Wei, Wei","Atropisomer-based Construction of Macrocyclic Hosts that Selectively Recognize Tryptophan from Standard Amino Acids","Chemical Communications","2019","","","","","10.1039/C9CC07646H","","","1.54178","CuKα","","0.232","0.138","","","0.3548","0.4098","","","","","","1.331","","","","has coordinates","223270","2020-10-21","18:00:00",""
"7124523","17.9517","0.0006","22.8784","0.001","7.7265","0.0002","90","","90","","90","","3173.32","0.19","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H20 Al Cl N2 -","- C16 H20 Al Cl N2 -","- C128 H160 Al8 Cl8 N16 -","8","1","","Kannan, Ramkumar; Chambenahalli, Raju; Kumar, Sandeep; Krishna, Athul; Andrews, Alex P.; Jemmis, Eluvathingal D.; Venugopal, Ajay","Organoaluminum cations for carbonyl activation","Chemical Communications","2019","","","","","10.1039/C9CC08272G","","","0.71073","MoKα","","0.0552","0.0354","","","0.0786","0.089","","","","","","1.011","","","","has coordinates","231099","2020-10-21","18:00:00",""
"7124835","9.1873","0.0008","12.5692","0.0011","20.0824","0.0018","90","","90","","90","","2319.1","0.4","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 Cd2 N13 O12 -","- C15 H9 Cd2 N13 O12 -","- C60 H36 Cd8 N52 O48 -","4","0.5","","Frost, Jamie M.; Kobera, Libor; Pialat, Amélie; Zhang, Yixin; Southern, Scott A.; Gabidullin, Bulat; Bryce, David L.; Murugesu, Muralee","From discrete molecule, to polymer, to MOF: mapping the coordination chemistry of Cd(II) using (113)Cd solid-state NMR.","Chemical communications (Cambridge, England)","2016","52","70","10680","10683","10.1039/c6cc04940k","","","0.71073","MoKα","","0.0361","0.0297","","","0.0692","0.0721","","","","","","1.111","","","","has coordinates","234267","2020-10-21","18:00:00",""
"7125658","18.251","0.003","9.2828","0.0016","10.1645","0.0017","90","","90","","90","","1722.1","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H14 Na Ni O19 Ru2 -","- C4 H8 Na Ni O19 Ru2 -","- C16 H32 Na4 Ni4 O76 Ru8 -","4","0.5","","Li, Jing-Yu; Tian, Yu-Chen; Feng, Li-Na; Zhou, Zi-Qin; Wang, Lin-Lin; Yang, Jian-Hui; Liu, Bin","Enhancing magnetic hardness by sonication assisted synthesis of heterometallic carbonato spin-glass Na[Ni(H<sub>2</sub>O)<sub>4</sub>Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]·3H<sub>2</sub>O.","Chemical communications (Cambridge, England)","2020","56","9","1369","1372","10.1039/c9cc07876b","","","0.71073","MoKα","","0.053","0.0368","","","0.0991","0.108","","","","","","1.059","","","","has coordinates","247611","2020-10-21","18:00:00",""
"7125936","20.3252","0.0011","17.4919","0.0013","7.6118","0.0003","90","","90","","90","","2706.2","0.3","293","2","293","2","","","","","","","synthesis","3","P c c n","-P 2ab 2ac","56","","2-((1H-indol-3-yl)methyl)aniline","","- C15 H14 N2 -","- C15 H14 N2 -","- C120 H112 N16 -","8","1","","Roy, Subhra Kanti; Purkait, Anisha; Aziz, Sk Md Tarik; Jana, Chandan K.","Acid mediated coupling of aliphatic amines and nitrosoarenes to indoles.","Chemical communications (Cambridge, England)","2020","56","21","3167","3170","10.1039/c9cc09616g","","x-ray","0.71073","MoKα","","0.1657","0.1227","","","0.3538","0.3975","","","","","","1.346","","","","has coordinates","250206","2020-10-21","18:00:00",""
"7126151","17.7788","0.0004","19.721","0.0003","15.0786","0.0002","90","","90","","90","","5286.79","0.16","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H33 F6 N2 O9 P -","- C19 H33 F6 N2 O9 P -","- C152 H264 F48 N16 O72 P8 -","8","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","","1.54178","CuKα","","0.0988","0.0867","","","0.2941","0.3198","","","","","","1.009","","","","has coordinates,has disorder","251539","2020-10-21","18:00:00",""
"7126152","16.774","0.003","20","0.003","15.122","0.003","90","","90","","90","","5073.1","1.6","213","2","213","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H33 F6 N2 O9 P -","- C19 H33 F6 N2 O9 P -","- C152 H264 F48 N16 O72 P8 -","8","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","","1.54178","CuKα","","0.056","0.0536","","","0.1531","0.1568","","","","","","1.098","","","","has coordinates,has disorder","251539","2020-10-21","18:00:00",""
"7126199","9.7722","0.0003","11.8036","0.0004","23.0503","0.0008","90","","90","","90","","2658.79","0.15","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H22 N10 O18 Th -","- C12 H22 N10 O18 Th -","- C48 H88 N40 O72 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.034","0.0233","","","0.0539","0.059","","","","","","1.097","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126792","20.127","0.004","27.951","0.006","19.854","0.004","90","","90","","90","","11169","4","250","","250","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C101 H72.5 B4 F15.8 Fe2 N14.5 O6 S6 -","- C101 H72.5 B4 F15.8 Fe2 N14.5 O6 S6 -","- C404 H290 B16 F63.2 Fe8 N58 O24 S24 -","4","0.5","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.1136","0.096","","","0.2987","0.3219","","","","","","1.256","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7127109","15.9815","0.0004","16.5996","0.0003","26.6002","0.0006","90","","90","","90","","7056.7","0.3","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C74 H66 N3 O14 P4 Yb -","- C74 H60 N3 O14 P4 Yb -","- C296 H240 N12 O56 P16 Yb4 -","4","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.","Chemical communications (Cambridge, England)","2020","56","79","11879","11882","10.1039/d0cc01370f","","","0.71073","MoKα","","0.0486","0.0377","","","0.0936","0.1008","","","","","","1.076","","","","has coordinates,has disorder","260640","2021-01-07","04:40:31",""
"7127651","30.762","0.003","10.8014","0.0011","11.0953","0.0011","90","","90","","90","","3686.7","0.6","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H16 Br N O Se -","- C22 H16 Br N O Se -","- C176 H128 Br8 N8 O8 Se8 -","8","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0374","0.0274","","","0.0562","0.0593","","","","","","1.055","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127653","20.58","0.0006","24.0995","0.0007","11.4414","0.0003","90","","90","","90","","5674.6","0.3","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H40 N2 O4 -","- C31 H40 N2 O4 -","- C248 H320 N16 O32 -","8","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0592","0.0425","","","0.096","0.1052","","","","","","1.029","","","","has coordinates,has disorder","259977","2020-12-19","01:56:38",""
"7129243","18.4207","0.001","31.6063","0.0012","7.556","0.0003","90","","90","","90","","4399.2","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C23 H25 Fe N2 O P -","- C23 H25 Fe N2 O P -","- C184 H200 Fe8 N16 O8 P8 -","8","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","1.54186","CuKα","","0.062","0.0502","","","0.1291","0.1387","","","","","","1.06","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129412","10.3781","0.0004","12.5474","0.0004","17.7027","0.0006","90","","90","","90","","2305.21","0.14","120","","120","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H44 B4 N4 O2 Yb -","- C12 H44 B4 N4 O2 Yb -","- C48 H176 B16 N16 O8 Yb4 -","4","0.5","","Kirkina, Vladislava A.; Kissel, Alexander; Selikhov, Alexander N.; Nelyubina, Yulia V.; Filippov, Oleg A.; Belkova, Natalia; Trifonov, Alexander; Shubina, Elena","Amine–Boranes Reactions Promoted by Lanthanide(II) Ions","Chemical Communications","2022","","","","","10.1039/D1CC06401K","","","0.71073","MoKα","","0.0321","0.0164","","","0.0347","0.0418","","","","","","1.066","","","","has coordinates","271506","2021-12-17","22:56:02",""
"7129840","9.8015","0.0009","17.1267","0.0015","17.3776","0.0015","90","","90","","90","","2917.1","0.4","150","","150","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C32 H44 B2 Ru2 -","- C32 H44 B2 Ru2 -","- C128 H176 B8 Ru8 -","4","0.5","","Wei, Yongliang; Wang, Tongdao","From trihydroborates to bisborylenes: a route to dinuclear bisborylene complexes.","Chemical communications (Cambridge, England)","2022","58","29","4659","4662","10.1039/d2cc01078j","","x-ray","0.71073","MoKα","","0.0366","0.0306","","","0.0753","0.0784","","","","","","1.144","","","","has coordinates","274951","2022-05-05","20:21:35",""
"7130055","19.8638","0.0017","25.7523","0.0018","13.9633","0.001","90","","90","","90","","7142.8","0.9","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C123 H120 Dy2 F18 Fe4 N28 O31 S6 -","- C116 H100 Dy2 F12 Fe4 N28 O20 S4 -","- C232 H200 Dy4 F24 Fe8 N56 O40 S8 -","2","0.25","","Liberka, Michal; Zychowicz, Mikolaj; Zychowicz, Wiktor; Chorazy, Szymon","Neutral dicyanidoferrate(II) metalloligands for the rational design of dysprosium(III) single-molecule magnets","Chemical Communications","2022","","","","","10.1039/D2CC02238A","","x-ray","0.71073","MoKα","","0.0726","0.0486","","","0.0961","0.1035","","","","","","1.021","","","","has coordinates","274895","2022-05-04","21:57:41",""
"7130056","20.6454","0.0009","25.4847","0.0011","14.6915","0.0005","90","","90","","90","","7729.8","0.5","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C139 H120 Dy2 F18 Fe4 N28 O31 S6 -","- C128 H100 Dy2 Fe4 N28 O8 -","- C256 H200 Dy4 Fe8 N56 O16 -","2","0.25","","Liberka, Michal; Zychowicz, Mikolaj; Zychowicz, Wiktor; Chorazy, Szymon","Neutral dicyanidoferrate(II) metalloligands for the rational design of dysprosium(III) single-molecule magnets","Chemical Communications","2022","","","","","10.1039/D2CC02238A","","x-ray","0.71073","MoKα","","0.0756","0.0642","","","0.1537","0.1596","","","","","","1.114","","","","has coordinates","274895","2022-05-04","21:57:44",""
"7130072","18.0257","0.0007","19.7111","0.0008","28.0391","0.001","90","","90","","90","","9962.5","0.7","200","","200","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H134 Au3 K O2 Si15 -","- C48 H120 Au3 K Si15 -","- C192 H480 Au12 K4 Si60 -","4","0.5","","Li, Yinhuan; Guorong, Zhen; Lu, Huang; Rong, Zhang; Wang, Liliang; Qi, Fan; Kira, Mitsuo; Li, Zhifang","Trinuclear anionic gold clusters bridged by dialkylsilylene and dialkylgermylene","Chemical Communications","2022","","","","","10.1039/D2CC02054H","","x-ray","1.54178","CuKα","","0.0951","0.0834","","","0.2461","0.2586","","","","","","1.049","","","","has coordinates","275343","2022-05-11","21:54:10",""
"7130093","19.4997","0.0001","19.6456","0.0001","32.3093","0.0002","90","","90","","90","","12377.2","0.12","99.99","0.17","99.99","0.17","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H18 N10 O12 Zn4 -","- C24 H18 N10 O12 Zn4 -","- C192 H144 N80 O96 Zn32 -","8","1","","Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan","Formaldehyde recognition through aminal formation in a luminescent metal–organic framework","Chemical Communications","2022","","","","","10.1039/D2CC02041F","","x-ray","1.54184","CuKα","","0.0578","0.0514","","","0.1478","0.1529","","","","","","1.058","","","","has coordinates,has disorder","275416","2022-05-13","21:54:17",""
"7130094","19.6175","0.0006","19.741","0.002","32.326","0.0019","90","","90","","90","","12518.9","1.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C25 H18 N10 O12 Zn4 -","- C25 H18 N10 O12 Zn4 -","- C200 H144 N80 O96 Zn32 -","8","1","","Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan","Formaldehyde recognition through aminal formation in a luminescent metal–organic framework","Chemical Communications","2022","","","","","10.1039/D2CC02041F","","","1.54184","CuKα","","0.0703","0.0627","","","0.187","0.1942","","","","","","1.03","","","","has coordinates,has disorder","275416","2022-05-13","21:54:17",""
"7130152","33.181","0.007","22.852","0.005","5.966","0.003","90","","90","","90","","4524","3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H23 Br N2 -","- C31 H23 Br N2 -","- C248 H184 Br8 N16 -","8","1","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","x-ray","1.54184","CuKα","","0.0577","0.0466","","","0.1168","0.1232","","","","","","1.074","","","","has coordinates","275642","2022-05-25","21:56:32",""
"7131024","11.482","0.0003","17.1596","0.0004","16.1811","0.0003","90","","90","","90","","3188.11","0.13","296.34","0.1","296.34","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C176 H112 O16 -","8","1","","Rajagopal, Shinaj K.; Dishi, Or; Bogoslavsky, Benny; Gidron, Ori","Transformation of π-conjugated macrocycles: from furanophanes to napthalenophanes.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05434e","","x-ray","0.71073","MoKα","","0.0546","0.0425","","","0.1213","0.1292","","","","","","1.082","","","","has coordinates","279473","2022-11-22","22:58:35",""
"7131702","13.8596","0.0008","26.555","0.0017","29.2504","0.0016","90","","90","","90","","10765.4","1.1","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H48 Br32 Cl N Si32 -","- C16 H48 Br32 Cl N Si32 -","- C64 H192 Br128 Cl4 N4 Si128 -","4","0.5","","Bamberg, Marcel; Gasevic, Thomas; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Grimme, Stefan; Bursch, Markus; Wagner, Matthias","Brominated [20]silafulleranes: pushing the limits of steric loading.","Chemical communications (Cambridge, England)","2023","59","48","7459","7462","10.1039/d3cc02142d","","","0.71073","MoKα","","0.0806","0.0396","","","0.0822","0.087","","","","","","0.724","","","","has coordinates,has disorder","284871","2023-07-05","09:12:30",""
"7132561","28.1725","0.0006","13.9425","0.0003","7.0402","0.0002","90","","90","","90","","2765.36","0.11","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H14 Cd O2 S2 -","- C14 H14 Cd O2 S2 -","- C112 H112 Cd8 O16 S16 -","8","1","","Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke","Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers.","Chemical communications (Cambridge, England)","2024","60","10","1277","1280","10.1039/d3cc05689a","","x-ray","0.71073","MoKα","","0.029","0.0278","","","0.0698","0.0702","","","","","","1.247","","","","has coordinates","289316","2024-02-04","10:59:47",""
"7132622","21.1441","0.0011","11.5844","0.0007","12.8398","0.0007","90","","90","","90","","3145","0.3","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","ST-5-149","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C144 H136 Cl8 N16 O16 -","8","1","","Yadav, Dharmendra K.; Tiwari, Sona; Senthil, Sathyapriya; Vechalapu, Sai Kumari; Duraisamy, Santhosh; Rawat, Viral; Rahman, Mohammed Isfahur; Khanna, Shweta; Allimuthu, Dharmaraja","Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells.","Chemical communications (Cambridge, England)","2024","60","14","1928","1931","10.1039/d3cc06215e","","","0.71073","MoKα","","0.0452","0.0411","","","0.1117","0.1166","","","","","","1.0524","","","","has coordinates","290096","2024-03-04","19:52:57",""
"7132911","8.895","0.0003","16.5456","0.0005","27.257","0.0009","90","","90","","90","","4011.5","0.2","173","","173","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C38 H38 B Cl4 F6 N S Sb -","- C38 H38 B Cl4 F6 N S Sb -","- C152 H152 B4 Cl16 F24 N4 S4 Sb4 -","4","0.5","","Cosby, Taylor P. L.; Bhattacharjee, Avik; Henneberry, Samantha K.; LeBlanc, Jesse; Caputo, Christopher Blain","Unlocking Lewis Acidity via the Redox Non-Innocence of a Phenothiazine-Substituted Borane","Chemical Communications","2024","","","","","10.1039/D4CC01059K","","","0.71076","MoKα","","0.0759","0.0575","","","0.111","0.1185","","","","","","1.242","","","","has coordinates,has disorder","290715","2024-04-01","21:56:56",""
"7150098","13.165","0.0008","28.102","0.002","7.2735","0.0003","90","","90","","90","","2690.9","0.3","180","2","180","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.0798","0.0579","","","0.1182","0.1265","","","","","","1.269","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150558","14.422","0.0012","25.714","0.003","7.9543","0.001","90","","90","","90","","2949.8","0.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C136 H136 N8 O8 S8 -","8","1","","Tu, Shu-Jiang; Cao, Xu-Dong; Hao, Wen-Juan; Zhang, Xiao-Hong; Yan, Shu; Wu, Shan-Shan; Han, Zheng-Guo; Shi, Feng","An efficient and chemoselective synthesis of benzo[e][1,4]thiazepin-2(1H,3H,5H)-ones via a microwave-assisted multi-component reaction in water","Organic & Biomolecular Chemistry","2009","7","3","557","563","10.1039/b815879g","","","0.71073","MoKα","","0.1096","0.0578","","","0.1029","0.1286","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150812","15.277","0.003","37.64","0.008","7.251","0.002","90","","90","","90","","4169.5","1.7","200","2","200","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","in paper 11f","","","- C29 H24 O2 -","- C29 H24 O2 -","- C232 H192 O16 -","8","1","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization‒Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.0848","0.0612","","","0.1327","0.1415","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150826","22.1667","0.0013","25.5085","0.0013","7.5733","0.0004","90","","90","","90","","4282.2","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H28 N2 O5 S -","- C22 H28 N2 O5 S -","- C176 H224 N16 O40 S8 -","8","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.0744","0.0464","","0.0867","0.0745","0.0867","","","","","","0.9294","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151537","21.2","0.003","26.956","0.006","9.205","0.0011","90","","90","","90","","5260.4","1.5","298","","","","","","","","","","Local laboratory","4","P c c n","-P 2ab 2ac","56","","","","- C23 H41 N5 O2 -","- C23 H41 N5 O2 -","- C184 H328 N40 O16 -","8","1","","Yabuuchi, Kazuhiro; Marfo-Owusu, Emmanuel; Kato, Takashi","A new urea gelator: incorporation of intra- and intermolecular hydrogen bonding for stable 1D self-assembly","Organic & Biomolecular Chemistry","2003","1","19","3464","","10.1039/b307149a","","","0.71073","MoKα","","0.179","0.094","","0.237","0.233","0.162","","","0.778","1.216","1.216","0.814","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7153400","19.553","0.003","28.605","0.005","5.3564","0.0009","90","","90","","90","","2995.9","0.9","100","2","100","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C23 H16 -","- C23 H16 -","- C184 H128 -","8","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0505","0.0418","","","0.0956","0.0991","","","","","","1.128","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7154336","20.0272","0.0004","10.57393","0.00019","10.07746","0.00017","90","","90","","90","","2134.07","0.07","150","2","150","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","4-cis-trifluoromethylproline N-acetyl methyl ester","methyl (2S,4S)-1-acetyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate","","- C9 H12 F3 N O3 -","- C9 H12 F3 N O3 -","- C72 H96 F24 N8 O24 -","8","1","","Kubyshkin, Vladimir; Afonin, Sergii; Kara, Sezgin; Budisa, Nediljko; Mykhailiuk, Pavel K.; Ulrich, Anne S.","γ-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.","Organic & biomolecular chemistry","2015","13","11","3171","3181","10.1039/c5ob00034c","","x-ray","1.54184","CuKα","","0.0379","0.0341","","","0.0864","0.0895","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154448","14.3029","0.0005","20.874","0.0009","20.909","0.0008","90","","90","","90","","6242.6","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,2-dichloro-3-hydroxy-3-(perfluorophenyl)-1-(p-tolyl)propan-1-one","","- C16 H9 Cl2 F5 O2 -","- C16 H9 Cl2 F5 O2 -","- C256 H144 Cl32 F80 O32 -","16","2","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0563","0.0387","","","0.0921","0.1044","","","","","","1.04","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154616","25.2718","0.0005","13.4859","0.0003","17.4972","0.0004","90","","90","","90","","5963.3","0.2","123","","123","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","15,35,55-tri-tert-butyl-12-hydroxy-1-(1,3)-benzena-3,5(2,7) benzofuranacyclohexaphane","","- C37 H42 O3 -","- C37 H42 O3 -","- C296 H336 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0651","0.0444","","","0.0938","0.1018","","","","","","1.016","","","","has coordinates","155234","2020-10-21","18:00:00",""
"7154786","20.8723","0.0011","5.5406","0.0003","9.5443","0.0005","90","","90","","90","","1103.75","0.1","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-bis(3-fluorobicyclo[1.1.1]pentan-1-yl)urea","","- C11 H14 F2 N2 O -","- C11 H14 F2 N2 O -","- C44 H56 F8 N8 O4 -","4","0.5","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0712","0.0428","","","0.0958","0.1129","","","","","","1.037","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7155103","12.8328","0.0002","26.5383","0.0004","9.2577","0.0001","90","","90","","90","","3152.81","0.08","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","x-ray","1.54178","CuKα","","0.0307","0.0307","","","0.0805","0.0806","","","","","","1.067","","","","has coordinates","183776","2020-10-21","18:00:00",""
"7156347","10.8798","0.0001","18.4104","0.0001","14.5081","0.0001","90","","90","","90","","2905.99","0.04","150","","150","","","","","","","","from U of Wollongong","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","1.54184","CuKα","","0.0316","0.03","","0.0746","0.0734","0.0746","","","","","","1.0045","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156674","9.8708","0.0004","40.1183","0.0017","9.9473","0.0005","90","","90","","90","","3939.1","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H14 Cl I N2 O S -","- C22 H14 Cl I N2 O S -","- C176 H112 Cl8 I8 N16 O8 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On water: iodine-mediated direct construction of 1,3-benzothiazines from ortho-alkynylanilines by regioselective 6-exo-dig cyclization.","Organic & biomolecular chemistry","2019","17","10","2657","2662","10.1039/c9ob00128j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1418","0.1766","","","","","","1.026","","","","has coordinates","225043","2020-10-21","18:00:00",""
"7156921","11.6022","0.0007","22.9041","0.0013","9.5733","0.0005","90","","90","","90","","2544","0.2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Ethyl 2-amino-5-neopentyl-1H-imidazole-4-carboxylate","","- C11 H19 N3 O2 -","- C11 H19 N3 O2 -","- C88 H152 N24 O16 -","8","1","","Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.","Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.","Organic & biomolecular chemistry","2019","17","27","6566","6569","10.1039/c9ob01100e","","","1.54178","CuKα","","0.0697","0.069","","","0.1892","0.1896","","","","","","1.151","","","","has coordinates","225069","2020-10-21","18:00:00",""
"7157200","19.452","0.007","16.461","0.007","10.122","0.003","90","","90","","90","","3241","2","295","","295.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H13 Cl F3 N -","- C19 H13 Cl F3 N -","- C152 H104 Cl8 F24 N8 -","8","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","","0.71073","MoKα","","0.1124","0.0562","","","0.1083","0.1354","","","","","","1.038","","","","has coordinates,has disorder","227690","2020-10-21","18:00:00",""
"7157354","7.3978","0.0004","11.414","0.0004","17.0191","0.0008","90","","90","","90","","1437.07","0.11","151","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","167-C.HI","","","- C7.5 H8.5 I0.5 N -","- C7.5 H8.5 I0.5 N -","- C60 H68 I4 N8 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0244","0.0186","","","0.0454","0.0482","","","","","","1.049","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157504","8.947","0.0018","16.934","0.003","18.608","0.004","90","","90","","90","","2819.3","1","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C128 H104 Cl8 N16 O8 -","8","1","","Hu, Fang-Peng; Cui, Xin-Feng; Lu, Guo-Qiang; Huang, Guo-Sheng","Base-promoted Lewis acid catalyzed synthesis of quinazoline derivatives.","Organic & biomolecular chemistry","2020","18","23","4376","4380","10.1039/d0ob00225a","","","0.71073","MoKα","","0.0881","0.0614","","","0.1758","0.2017","","","","","","1.003","","","","has coordinates","257921","2020-10-21","18:00:00",""
"7157584","23.1727","0.0009","29.8856","0.0016","8.3703","0.0003","90","","90","","90","","5796.7","0.4","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(E)-11,13-bis(benzyloxy)-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C33 H36 O5 -","- C33 H36 O5 -","- C264 H288 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","1.54178","CuKα","","0.1735","0.1103","","","0.2688","0.3518","","","","","","1.065","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7157687","14.3884","0.0013","26.944","0.003","6.9828","0.0006","90","","90","","90","","2707.1","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.1318","0.062","","","0.1681","0.2411","","","","","","0.767","","","","has coordinates","258947","2020-11-06","13:07:18",""
"7158153","14.159","0.003","17.002","0.004","7.473","0.0016","90","","90","","90","","1799","0.7","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","1","","Zhang, Xiaomin; Yang, Jiali; Xiong, Ni; Han, Zhe; Duan, Xinhua; Zeng, Rong","Indium-mediated annulation of 2-azidoaryl aldehydes with propargyl bromides to [1,2,3]triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2021","19","28","6346","6352","10.1039/d1ob01183a","","","0.71073","MoKα","","0.0432","0.0328","","","0.0826","0.0901","","","","","","1.056","","","","has coordinates","268956","2021-09-06","12:36:10",""
"7158517","26.8368","0.0006","8.8018","0.0002","12.945","0.0003","90","","90","","90","","3057.77","0.12","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C144 H112 N16 O16 S8 -","40","5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0535","0.0414","","","0.0959","0.1079","","","","","","1.104","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158584","41.99","0.011","7.821","0.002","10.606","0.003","90","","90","","90","","3483.1","1.6","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H20 O6 S -","- C17 H20 O6 S -","- C136 H160 O48 S8 -","8","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.1094","0.0795","","","0.1819","0.2053","","","","","","1.292","","","","has coordinates","273909","2022-03-23","01:33:23",""
"7158657","31.8053","0.0005","14.6164","0.0003","7.2574","0.0001","90","","90","","90","","3373.81","0.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H19 Cl N4 O3 -","- C17 H19 Cl N4 O3 -","- C136 H152 Cl8 N32 O24 -","8","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71075","MoKα","K-L~3~","0.0419","0.034","","","0.086","0.0895","","","","","","1.026","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7200224","17.7236","0.0006","22.0059","0.0007","9.8501","0.0003","90","","90","","90","","3841.8","0.2","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C160 H192 N16 O48 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0552","0.0431","","","0.1166","0.1273","","","","","","1.029","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7201882","16.642","0.006","19.026","0.008","13.49","0.003","90","","90","","90","","4271","3","294","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26.5 H20 N4 O4 -","- C26.5 H18.5 N4 O4 -","- C212 H148 N32 O32 -","8","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.069","","","","0.072","","","","","","1.74","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201952","27.672","0.006","5.0086","0.001","19.107","0.004","90","","90","","90","","2648.2","1","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H22 Cl2 N4 O4 S2 -","- C27 H22 Cl2 N4 O4 S2 -","- C108 H88 Cl8 N16 O16 S8 -","4","0.5","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.71073","MoKα","","0.077","0.072","","","0.187","0.191","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202053","10.5428","0.0003","14.2305","0.0003","17.6424","0.0005","90","","90","","90","","2646.88","0.12","120","2","120","2","","","","","","","Roberto Quesada","6","P c c n","-P 2ab 2ac","56","","","","- C14 H24 N8 O6 Pt S4 -","- C14 H24 N8 O6 Pt S4 -","- C56 H96 N32 O24 Pt4 S16 -","4","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0725","0.0387","","","0.0797","0.0892","","","","","","1.025","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202066","27.1014","0.0014","30.1316","0.0015","19.726","0.001","90","","90","","90","","16108.4","1.4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C75 H83 Ag7 Cl K2 N4 O31.5 -","- C75 H68 Ag7 Cl K2 N4 O31.5 -","- C600 H544 Ag56 Cl8 K16 N32 O252 -","8","1","","Zheng, Guo-li; Li, Yin-Yan; Deng, Rui-Ping; Song, Shu-Yan; Zhang, Hong-Jie","Self-assembly of guest-induced calix[4]arene nanocapsules into three-dimensional molecular architecture","CrystEngComm","2008","10","6","658","","10.1039/b803361g","","","0.71073","MoKα","","0.121","0.0955","","","0.2575","0.2874","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202285","19.682","0.004","27.304","0.006","17.627","0.004","90","","90","","90","","9473","4","173","0.1","173","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H52 Br N O8.6 -","- C48 H52 Br N O8.6 -","- C384 H416 Br8 N8 O68.8 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1698","0.1256","","","0.2906","0.3151","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202331","28.816","0.006","14.33","0.003","21.034","0.005","90","","90","","90","","8686","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33.5 H41.5 Cd N7.5 O8 -","- C33.5 H38.5 Cd N7.5 O8 -","- C268 H308 Cd8 N60 O64 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0654","0.0524","","","0.1742","0.188","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202652","23.858","0.005","5.2642","0.001","15.317","0.003","90","","90","","90","","1923.7","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Ag B F4 N6 O0 -","- C20 H16 Ag B F4 N6 -","- C80 H64 Ag4 B4 F16 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0805","0.0382","","","0.0861","0.1059","","","","","","0.98","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7205285","20.249","0.004","21.122","0.004","22.153","0.004","90","","90","","90","","9475","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H51 Bi Cu2 N10 O63 W18 -","- C50 H38 Bi Cu2 N10 O63 W18 -","- C200 H152 Bi4 Cu8 N40 O252 W72 -","4","0.5","","Wang, Bin; Hou, Guang-Feng; Meng, Rui-Qi; Bi, Li-Hua; Li, Bao; Wu, Li-Xin","A novel NbO-type framework constructed from Dawson-like tungstobismuthate and copper complex fragments","CrystEngComm","2011","13","5","1360","","10.1039/c0ce00327a","","","0.71073","MoKα","","0.0683","0.0557","","","0.1073","0.1114","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205982","13.4814","0.0009","15.3581","0.0011","19.0334","0.0013","90","","90","","90","","3940.8","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Hg2 I6 N4 O -","- C26 H36 Hg2 I6 N4 O -","- C104 H144 Hg8 I24 N16 O4 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0382","0.0283","","","0.0627","0.0679","","","","","","0.981","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206167","14.2592","0.0008","14.2608","0.0008","30.4171","0.0018","90","","90","","90","","6185.2","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","0.5","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.2048","0.0778","","","0.2314","0.3492","","","","","","0.987","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7207344","10.3447","0.0012","19.514","0.002","6.392","0.0007","90","","90","","90","","1290.3","0.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 F O Tl -","- C6 H4 F O Tl -","- C48 H32 F8 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0339","0.0282","","","0.0713","0.074","","","","","","1.094","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207394","8.8209","0.0003","13.7896","0.0005","18.6855","0.0006","90","","90","","90","","2272.84","0.13","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 Eu N4 Na O8 -","- C24 H12 Eu N4 Na O8 -","- C96 H48 Eu4 N16 Na4 O32 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0239","0.0213","","","0.0579","0.0593","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207395","8.8179","0.0003","13.7604","0.0003","18.66","0.0004","90","","90","","90","","2264.16","0.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 N4 Na O8 Tb -","- C24 H12 N4 Na O8 Tb -","- C96 H48 N16 Na4 O32 Tb4 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0198","0.0164","","","0.0428","0.0443","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207432","25.559","0.005","11.622","0.005","9.509","0.005","90","","90","","90","","2825","2","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C120 H72 F48 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0783","0.0538","","","0.1461","0.1572","","","","","","1.1","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207747","16.9679","0.0011","18.5233","0.0012","21.4289","0.0015","90","","90","","90","","6735.1","0.8","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H32 Cu3 N10 O41 P W12 -","- C40 H30 Cu3 N10 O41 P W12 -","- C160 H120 Cu12 N40 O164 P4 W48 -","4","0.5","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0559","0.0489","","","0.1374","0.1441","","","","","","1.09","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7208914","12.724","0.007","13.439","0.007","23.509","0.012","90","","90","","90","","4020","4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 Br5 Cd4 N21 -","- C16 H36 Br5 Cd4 N21 -","- C64 H144 Br20 Cd16 N84 -","4","0.5","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0477","0.0413","","","0.104","0.1078","","","","","","1.029","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208952","34.7924","0.0019","12.5064","0.0008","11.5839","0.0007","90","","90","","90","","5040.5","0.5","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 Eu2 O15 -","- C18 H30 Eu2 O15 -","- C144 H240 Eu16 O120 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0591","0.051","","","0.1205","0.126","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208953","34.6706","0.0011","12.5002","0.0003","11.5584","0.0004","90","","90","","90","","5009.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 O15 Tb2 -","- C18 H30 O15 Tb2 -","- C144 H240 O120 Tb16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.043","0.0322","","","0.0562","0.0589","","","","","","1.162","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7209251","17.5123","0.0017","13.6834","0.0015","15.2911","0.0014","90","","90","","90","","3664.2","0.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0963","0.0645","","","0.2052","0.2272","","","","","","1.13","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209252","17.1691","0.0004","13.5523","0.0004","15.4503","0.0005","90","","90","","90","","3594.99","0.18","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 N2 Ni O5 -","- C18 H12 N2 Ni O5 -","- C144 H96 N16 Ni8 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0729","0.0586","","","0.2131","0.2263","","","","","","1.157","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209620","48.3095","0.001","8.7022","0.0002","13.6477","0.0003","90","","90","","90","","5737.5","0.2","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Br F4 I2 N -","- C22 H36 Br F4 I2 N -","- C176 H288 Br8 F32 I16 N8 -","8","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.074","0.0667","","","0.1845","0.1889","","","","","","1.123","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209647","39.4912","0.0015","23.7984","0.0012","8.9131","0.0003","90","","90","","90","","8376.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 N16 O13 Zn3 -","- C33 H22 N16 O13 Zn3 -","- C264 H176 N128 O104 Zn24 -","8","1","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.1318","0.0749","","","0.1412","0.167","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209963","18.408","0.004","9.3923","0.0019","10.07","0.002","90","","90","","90","","1741","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H10 Co K O17 Ru2 -","- C4 H10 Co K O17 Ru2 -","- C16 H40 Co4 K4 O68 Ru8 -","4","0.5","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0669","0.0549","","","0.1483","0.1566","","","","","","1.083","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210009","9.5387","0.0015","23.208","0.004","7.4056","0.0012","90","","90","","90","","1639.4","0.5","150","1","150","1","","","","","","","see text","3","P c c n","-P 2ab 2ac","56","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0441","0.0302","","","0.077","0.0811","","","","","","1.043","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210012","22.665","0.005","9.956","0.005","7.442","0.005","90","","90","","90","","1679.3","1.5","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(2-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0503","0.0367","","","0.0919","0.1004","","","","","","1.061","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210013","9.6359","0.0009","23.748","0.002","7.268","0.0006","90","","90","","90","","1663.2","0.3","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(4-fluorophenylcarbonate)'","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0508","0.0371","","","0.1015","0.1092","","","","","","1.049","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210291","12.862","0.002","19.608","0.004","26.579","0.005","90","","90","","90","","6703","2","296","2","296.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H24 Ag2 As2 F12 N8 S3 -","- C16 H24 Ag2 As2 F12 N8 S3 -","- C128 H192 Ag16 As16 F96 N64 S24 -","8","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.1007","0.05","","","0.1345","0.1626","","","","","","1.029","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210469","11.3","0.006","19.44","0.011","21.466","0.013","90","","90","","90","","4715","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H42 Ca5 N12 O32 -","- C30 H42 Ca5 N12 O32 -","- C120 H168 Ca20 N48 O128 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0982","0.0786","","","0.2105","0.2263","","","","","","1.099","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210972","10.9758","0.0009","11.2844","0.001","17.2476","0.0014","90","","90","","90","","2136.2","0.3","296","2","296","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C16 H16 Br8 Cu4 K8 Li4 O76 Ru8 -","4","0.5","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0303","0.0241","","","0.0602","0.0632","","","","","","1.032","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210985","20.096","0.001","23.088","0.001","14.616","0.001","90","","90","","90","","6781.5","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 Co2 N8 O11 -","- C33 H25 Co2 N8 O11 -","- C264 H200 Co16 N64 O88 -","8","1","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71069","MoKα","","0.0579","0.0499","","","0.1499","0.1555","","","","","","1.337","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7211404","9.225","0.004","30.478","0.013","8.366","0.003","90","","90","","90","","2352.2","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15 H10 Cu2 N2 O8 S2 -","- C15 H10 Cu2 N2 O8 S2 -","- C60 H40 Cu8 N8 O32 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.1473","0.0922","","","0.2165","0.2392","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211541","16.448","0.003","13.055","0.003","15.329","0.003","90","","90","","90","","3291.6","1.2","253.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H20 N7 O2 -","- C16 H20 N7 O2 -","- C128 H160 N56 O16 -","8","1","","Tanaka, Hiroyuki; Shiomi, Daisuke; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji; Sato, Kazunobu; Takui, Takeji","Diaminotriazine-substituted nitronyl nitroxide: a novel building block for organic magnets having multiple hydrogen bonding substituents as structure-determining supramolecular synthons","CrystEngComm","2010","12","2","526","","10.1039/b909757k","","","0.7107","MoKα","","","0.0696","","","","0.2123","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211939","20.5769","0.0012","7.3521","0.0004","14.0383","0.0008","90","","90","","90","","2123.8","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Succinic acid & 1,2-dimethylimidazole","Succinic acid & 1,2-dimethylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1161","0.0685","","","0.1383","0.1561","","","","","","1.107","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211975","51.5","0.014","11.992","0.003","14.114","0.004","90","","90","","90","","8717","4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","F-MOF 3","","","- C92 H58 Cu2 F24 N4 O18 -","- C92 H58 Cu2 F24 N4 O18 -","- C368 H232 Cu8 F96 N16 O72 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0681","0.0552","","","0.1254","0.1308","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212106","20.584","0.004","11.949","0.002","15.098","0.003","90","","90","","90","","3713.5","1.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H68 Co4 N16 O16 -","- C72 H68 Co4 N16 O16 -","- C144 H136 Co8 N32 O32 -","2","0.25","","Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min","Network topology and property studies for two binodal self-penetrated coordination polymers","CrystEngComm","2010","12","3","720","","10.1039/b919676p","","x-ray","0.71073","MoKα","","0.0633","0.0492","","","0.1318","0.1411","","","","","","1.058","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212738","13.3285","0.002","18.0188","0.0012","17.3305","0.0012","90","","90","","90","","4162.2","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H4 Au N4 Na O4 S6 -","- C12 H4 Au N4 Na O4 S6 -","- C96 H32 Au8 N32 Na8 O32 S48 -","8","1","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0757","0.032","","","0.0743","0.0818","","","","","","0.99","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7213222","18.699","0.002","22.045","0.002","6.898","0.002","90","","90","","90","","2843.5","0.9","220","2","220","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C20 H18 -","- C20 H18 -","- C160 H144 -","8","1","","Sharp, John T.; Wilson, Paul; Parsons, Simon; Gould, Robert O.","Reactions of triene-conjugated diazo-compounds: reaction paths from o-(1,3-dienyl)aryldiazomethanes to 3,8-methano-1,2-diazocines and to pyrrolo[2,1-a]phthalazines via intramolecular (3 + 2) and 1,1-cycloaddition reactions","Journal of the Chemical Society, Perkin Transactions 1","2000","","7","1139","","10.1039/a909516k","","","1.54184","CuKα","","0.1163","0.0563","","0.1468","0.1182","","","","1.006","1.111","1.111","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213358","15.9253","0.0004","15.9655","0.0004","17.882","0.0003","90","","90","","90","","4546.59","0.18","113","2","113","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Tetra-(4-chlorophenyl)ethene (3)","","- C26 H16 Cl4 -","- C26 H16 Cl4 -","- C208 H128 Cl32 -","8","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.141","0.046","","","0.089","0.11","","","","","","0.95","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213500","13.8726","0.0009","30.229","0.003","9.8793","0.0006","90","","90","","90","","4142.9","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H20 F3 N5 O6 -","- C19 H20 F3 N5 O6 -","- C152 H160 F24 N40 O48 -","8","1","","R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams","Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3365","3381","10.1039/b107139d","","","1.54178","CuKα","","0.1002","0.0638","","0.1932","0.1602","","","","1.035","1.084","1.084","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213666","14.0441","0.0004","19.1432","0.0003","19.1482","0.0004","90","","90","","90","","5148","0.2","294","2","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C211.2 H115.2 Br16 Cl9.6 N32 O32 -","4","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","1.54184","CuKα","","0.0516","0.044","","","0.1154","0.1224","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213767","23.0737","0.0014","11.5118","0.0007","16.6416","0.0009","90","","90","","90","","4420.3","0.4","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H39 Cu3 I2 N4 P2 -","- C40 H36 Cu3 I2 N3 P2 -","- C160 H144 Cu12 I8 N12 P8 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0966","0.051","","","0.122","0.1531","","","","","","1.099","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213862","18.5137","0.0012","19.2404","0.0012","8.0478","0.0005","90","","90","","90","","2866.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H13 N O8 P2 Zn -","- C10 H13 N O8 P2 Zn -","- C80 H104 N8 O64 P16 Zn8 -","8","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.061","0.0392","","","0.0635","0.0679","","","","","","1","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7214024","8.1309","0.0004","9.662","0.0005","12.7399","0.0005","90","","90","","90","","1000.86","0.08","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 O8 Rb -","- C8 H7 O8 Rb -","- C32 H28 O32 Rb4 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0277","0.0232","","","0.0654","0.0673","","","","","","1.072","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214117","14.5983","0.0015","20.935","0.002","8.5228","0.0009","90","","90","","90","","2604.7","0.5","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C9 H21 N O3 -","- C9 H21 N O3 -","- C72 H168 N8 O24 -","8","1","","Vanderveen, Jesse R.; Durelle, Jeremy; Jessop, Philip G.","Design and evaluation of switchable-hydrophilicity solvents","Green Chemistry","2014","16","3","1187","","10.1039/c3gc42164c","","","0.71073","MoKα","","0.0883","0.0614","","","0.1413","0.1531","","","","","","1.075","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7214329","9.4199","0.0003","12.6344","0.0004","20.5258","0.0005","90","","90","","90","","2442.87","0.12","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 N13 O12 Pb2 -","- C15 H9 N13 O12 Pb2 -","- C60 H36 N52 O48 Pb8 -","4","0.5","","Safin, Damir A.; Burgess, Kevin M. N.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2","CrystEngComm","2014","16","17","3466","","10.1039/c4ce00009a","","","0.71073","MoKα","","0.0326","0.0267","","","0.0665","0.0698","","","","","","1.037","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214472","10.1513","0.0015","32.003","0.006","18.417","0.004","90","","90","","90","","5983.2","1.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H19 N6 O7.5 Zn1.5 -","- C30 H19 N6 O7.5 Zn1.5 -","- C240 H152 N48 O60 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1961","0.0987","","","0.2535","0.3063","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214473","32.5833","0.0008","10.191","0.0003","19.138","0.0005","90","","90","","90","","6354.9","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd1.5 N6 O10 -","- C30 H24 Cd1.5 N6 O10 -","- C240 H192 Cd12 N48 O80 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0614","0.0459","","","0.106","0.1119","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214569","16.063","0.0008","16.485","0.0009","19.025","0.0008","90","","90","","90","","5037.8","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H24 I2 In4 N6 O27 -","- C42 H18 I2 In4 N6 O27 -","- C168 H72 I8 In16 N24 O108 -","4","0.5","","He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition","CrystEngComm","2013","15","37","7406","","10.1039/c3ce41337c","","","0.71069","MoKα","","0.0863","0.069","","","0.1732","0.1868","","","","","","1.082","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214657","20.9182","0.0015","12.4873","0.0008","12.8222","0.0008","90","","90","","90","","3349.3","0.4","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Cl N2 O2.5 S -","- C18 H16 Cl N2 O2.4975 S -","- C144 H128 Cl8 N16 O19.98 S8 -","8","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0417","0.0364","","","0.0864","0.0888","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215046","8.0133","0.0007","11.2963","0.0004","19.9503","0.0013","90","","90","","90","","1805.9","0.2","200","2","200","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C14 H22 N4 O8 Zn -","- C14 H22 N4 O8 Zn -","- C56 H88 N16 O32 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0995","0.0537","","","0.1133","0.141","","","","","","1.134","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215484","17.9447","0.0004","19.1082","0.0004","11.5533","0.0002","90","","90","","90","","3961.52","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H36 Mo2 N16 -","- C44 H36 Mo2 N16 -","- C176 H144 Mo8 N64 -","4","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0525","0.0289","","","0.0591","0.0673","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215810","12.6869","0.0007","22.7919","0.0014","28.5112","0.0019","90","","90","","90","","8244.3","0.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C54 H54 Cu2 N18 O43 Si W12 -","- C54 H50 Cu2 N18 O43 Si W12 -","- C216 H200 Cu8 N72 O172 Si4 W48 -","4","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.0978","0.0834","","","0.1566","0.1636","","","","","","1.06","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7216295","21.3642","0.0006","18.856","0.0009","8.7764","0.0006","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0782","0.0782","","","0.2078","0.2078","","","","","","1.344","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216995","12.9346","0.0004","21.7846","0.0008","4.7923","0.0002","90","","90","","90","","1350.35","0.09","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H5 N3 S -","- C6 H5 N3 S -","- C48 H40 N24 S8 -","8","1","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0381","0.0352","","","0.1017","0.1043","","","","","","1.082","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7217109","10.468","0.007","13.484","0.003","5.7549","0.0011","90","","90","","90","","812.3","0.6","100","","100","","","","","","","","","3","P c c n","-P 2ab 2ac","56","N-aminopyrazole","1-aminopyrazole","","- C3 H5 N3 -","- C3 H5 N3 -","- C24 H40 N24 -","8","1","","Antonio Jime´nez, Jose´; María Claramunt, Rosa; Mó, Otilia; Yáñez, Manuel; Wehrmann, Frank; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Goddard, Richard; Elguero, Jose´","The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study","Physical Chemistry Chemical Physics","1999","1","22","5113","","10.1039/a906187h","","","0.71069","MoKα","","0.0662","0.0575","","","0.1327","0.1438","","","","","","1.144","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217154","9.987","0.007","10.251","0.007","20.957","0.014","90","","90","","90","","2146","3","174","2","174","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 N2 O16 Se3 U2 -","- C10 N2 O16 Se3 U2 -","- C40 N8 O64 Se12 U8 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0941","0.0647","","","0.1623","0.1784","","","","","","1.033","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217615","13.0963","0.0023","20.1531","0.0035","11.7129","0.0024","90","","90","","90","","3091.4","1","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Fe N2 -","- C20 H16 Fe N2 -","- C160 H128 Fe8 N16 -","8","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MOKα","","0.0369","0.032","","","0.084","0.0885","","","","","","1.087","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7218297","12.2852","0.0014","13.5924","0.0016","16.4701","0.0019","90","","90","","90","","2750.3","0.6","153","2","153","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H32 F6 Li2 N4 O6 S2 -","- C14 H32 F6 Li2 N4 O6 S2 -","- C56 H128 F24 Li8 N16 O24 S8 -","4","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0889","0.0732","","","0.2063","0.2276","","","","","","1.042","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218527","14.4457","0.0004","14.5288","0.0003","13.7814","0.0003","90","","90","","90","","2892.42","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[I(etu)2]+ I- [I3]-","[I(2-imidazolidinethione)2]+ I- [I3]-","","- C6 H12 I3 N4 S2 -","- C6 H12 I3 N4 S2 -","- C48 H96 I24 N32 S16 -","8","1","","Koskinen, L.; Hirva, P.; Kalenius, E.; Jääskeläinen, S.; Rissanen, K.; Haukka, M.","Halogen bonds with coordinative nature: halogen bonding in a S‒I±-S iodonium complex","CrystEngComm","2015","17","6","1231","","10.1039/C4CE01735H","","","0.71073","MoKα","","0.0287","0.0203","","","0.0394","0.0429","","","","","","1.156","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218562","11.4437","0.0004","22.5577","0.0008","8.1293","0.0003","90","","90","","90","","2098.53","0.13","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C80 H64 Br8 N24 O16 -","8","1","","Li, Wenjun; Du, Zhiyun; Zhang, Kun; Wang, Jian","Organocatalytic 1,3-dipolar cycloaddition reaction of α,β-unsaturated ketones with azides through iminium catalysis","Green Chem.","2015","17","2","781","","10.1039/C4GC01929F","","","0.71073","MoKα","","0.0282","0.0219","","","0.0576","0.0597","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218802","13.8424","0.0006","16.8817","0.0008","13.4428","0.0006","90","","90","","90","","3141.4","0.2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Ag F3 N2 O3.5 S2 -","- C12 H10 Ag F3 N2 O3.5 S2 -","- C96 H80 Ag8 F24 N16 O28 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0663","0.0482","","","0.1218","0.1332","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218816","14.2744","0.0015","7.8786","0.0009","12.4054","0.0013","90","","90","","90","","1395.1","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Ge Mn2 N4 S4 -","- C4 H16 Ge Mn2 N4 S4 -","- C16 H64 Ge4 Mn8 N16 S16 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0382","0.0246","","","0.0598","0.0663","","","","","","1.037","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218993","7.4354","0.0015","15.648","0.003","21.424","0.004","90","","90","","90","","2492.7","0.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H8 Cl N3 S -","- C14 H8 Cl N3 S -","- C112 H64 Cl8 N24 S8 -","8","1","","Wen, Li-Rong; Li, Shou-Lei; Zhang, Jian; Li, Ming","Convenient synthesis of benzo[4,5]thiazolo[2,3-c][1,2,4]triazoles with 1 mol% CuCl2·2H2O as catalyst in water","Green Chem.","2015","17","3","1581","","10.1039/C4GC02156H","","","0.71073","MoKα","","0.0446","0.0439","","","0.0959","0.0962","","","","","","1.22","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219244","14.9469","0.0005","16.0111","0.0005","23.5378","0.0006","90","","90","","90","","5633","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","bis(sparfloxacinato-O,O')-(1,10-phenanthroline-N,N')-manganese(II)‒methanol(1/4)","bis(5-amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylato-O,O')-(1,10-phenanthroline-N,N')-manganese(II)‒methanol(1/4)","","- C54 H66 F4 Mn N10 O10 -","- C54 H66 F4 Mn N10 O10 -","- C216 H264 F16 Mn4 N40 O40 -","4","0.5","","Zampakou, Marianthi; Balala, Sofia; Perdih, Franc; Kalogiannis, Stavros; Turel, Iztok; Psomas, George L.","Structure, antimicrobial activity, albumin‒ and DNA‒binding of manganese(II)‒sparfloxacinato complexes","RSC Adv.","2015","","","","","10.1039/C4RA11682H","","","0.71073","MoKα","","0.1068","0.0535","","","0.118","0.1406","","","","","","1.024","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219568","22.552","0.005","10.123","0.002","13.594","0.003","90","","90","","90","","3103.4","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Zinc-herringbone","","","- C21 H25 I N6 O14 Zn2 -","- C21 H25 I N6 O14 Zn2 -","- C84 H100 I4 N24 O56 Zn8 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0683","0.0527","","","0.1418","0.1576","","","","","","1.035","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7220301","37.3738","0.0017","13.9167","0.0011","12.8674","0.0007","90","","90","","90","","6692.6","0.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C240 H328 I16 N24 O48 -","8","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1384","0.0639","","","0.0823","0.1033","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220461","5.8367","0.00016","22.119","0.0006","20.4593","0.0005","90","","90","","90","","2641.34","0.12","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H11 N Ni0.5 O3.5 -","- C16 H11 N Ni0.5 O3.5 -","- C128 H88 N8 Ni4 O28 -","8","1","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","1.54184","CuKα","","0.0444","0.0386","","","0.1057","0.1115","","","","","","1.032","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220565","7.9815","0.0005","14.4504","0.0006","10.2757","0.0006","90","","90","","90","","1185.16","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H2 Cu O6 -","- C4 H2 Cu O6 -","- C32 H16 Cu8 O48 -","8","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.54184","CuKα","","0.0692","0.0571","","","0.145","0.1578","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220594","16.269","0.002","20.73","0.003","14.9828","0.0019","90","","90","","90","","5053","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H11 Cu N3 O5 -","- C17 H11 Cu N3 O5 -","- C136 H88 Cu8 N24 O40 -","8","1","","Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing","A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity","CrystEngComm","2015","17","26","4793","","10.1039/C5CE00612K","","","0.71073","MoKα","","0.0738","0.0471","","","0.112","0.1189","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220610","11.997","0.007","14.36","0.009","26.228","0.016","90","","90","","90","","4518","5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H44 Ni6 S12 -","- C36 H44 Ni6 S12 -","- C144 H176 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1122","0.0697","","","0.1708","0.1998","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220772","25.0222","0.0005","29.7701","0.0005","7.4948","0.0001","90","","90","","90","","5582.98","0.16","173","2","173","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","1,4-bis[(3,3,-diphenyl-3-(3?-(tri-isopropylsylanoxy)-phenyl)-prop-1-yn-1-yl)]-2,3-difluorobenzene'","1,4-bis[(3,3,-diphenyl-3-(3?-(tri-isopropylsylanoxy)-phenyl)-prop-1-yn-1-yl)]-2,3-difluorobenzene","","- C66 H72 F2 O2 Si2 -","- C66 H72 F2 O2 Si2 -","- C264 H288 F8 O8 Si8 -","4","0.5","","Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A","Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators","RSC Adv.","2015","","","","","10.1039/C5RA07422C","","x-ray","0.71073","MoKα","","0.1799","0.0952","","","0.2273","0.2778","","","","","","1.032","","","","has coordinates,has disorder","139252","2020-10-21","18:00:00",""
"7221852","30.1188","0.0008","34.473","0.0007","12.5536","0.0003","90","","90","","90","","13034.2","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H30.5 Cl2 Cu N4 O1.25 -","- C33 H30 Cl2 Cu N4 O1.25 -","- C528 H480 Cl32 Cu16 N64 O20 -","16","2","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0914","0.0535","","","0.1283","0.1361","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222168","18.5495","0.0014","21.0121","0.0016","9.57","0.0007","90","","90","","90","","3730","0.5","93.15","","93.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","racemic CF4","","- C14 H12 F14 N2 O2 -","- C14 H12 F14 N2 O2 -","- C112 H96 F112 N16 O16 -","8","1","","Yajima, Tomoko; Tabuchi, Erika; Nogami, Emiko; Yamagishi, Akihiko; Sato, Hisako","Perfluorinated Gelators for Solidifying Fluorous Solvents：Effects of Chain Length and Molecular Chirality","RSC Adv.","2015","","","","","10.1039/C5RA12656H","","","0.71073","MoKα","","0.0623","0.0418","","","0.1362","0.1531","","","","","","1.0572","","","","has coordinates","156722","2020-10-21","18:00:00",""
"7223193","8.23203","0.00011","16.34232","0.00015","13.28134","0.00015","90","","90","","90","","1786.74","0.04","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Mg2 N2 O16 P2 -","- C8 H18 Mg2 N2 O16 P2 -","- C32 H72 Mg8 N8 O64 P8 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0561","0.0539","","","0.1483","0.1513","","","","","","1.103","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223919","10.487","0.002","23.35","0.005","8.3772","0.0017","90","","90","","90","","2051.3","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H16 N10 O4 Pb -","- C16 H16 N10 O4 Pb -","- C64 H64 N40 O16 Pb4 -","4","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0874","0.0508","","","0.0687","0.0794","","","","","","1.168","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7224118","16.7284","0.0003","20.8912","0.0005","28.9741","0.0006","90","","90","","90","","10125.8","0.4","298","2","298","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H22 N6 O10 Zn2 -","- C42 H22 N6 O10 Zn2 -","- C336 H176 N48 O80 Zn16 -","8","1","","Wang, Wen; Xiao, Zhenyu; Lin, Huan; Wang, Rongming; Zhang, Liangliang; Sun, Daofeng","Synthesis, structure, and properties of a 3D porous Zn(II) MOF constructed from a terpyridine-based ligand","RSC Adv.","2016","","","","","10.1039/C5RA27368D","","","0.71","MoKα","","0.0911","0.0752","","","0.2317","0.2486","","","","","","1.072","","","","has coordinates","175460","2020-10-21","18:00:00",""
"7224292","32.3617","0.0007","18.5058","0.0005","7.04172","0.00013","90","","90","","90","","4217.14","0.17","293","2","293.15","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0624","0.0484","","","0.1275","0.1403","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224357","13.8337","0.0001","19.0181","0.0001","19.0737","0.0001","90","","90","","90","","5018.11","0.05","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(ClIO)4:CH2Cl2","","","- C106 H60 Cl12 N16 O16 -","- C106 H60 Cl12 N16 O16 -","- C212 H120 Cl24 N32 O32 -","2","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0451","0.0377","","","0.1066","0.1139","","","","","","1.023","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224358","13.9556","0.0003","19.085","0.0004","19.123","0.0003","90","","90","","90","","5093.27","0.17","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CH2Cl2","","","- C57 H42 Cl2 N8 O8 -","- C57 H42 Cl2 N8 O8 -","- C228 H168 Cl8 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0768","0.0611","","","0.1395","0.1476","","","","","","1.091","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224359","14.1849","0.0002","19.089","0.0002","19.1396","0.0002","90","","90","","90","","5182.54","0.11","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CHCl3","","","- C57 H41 Cl3 N8 O8 -","- C57 H41 Cl3 N8 O8 -","- C228 H164 Cl12 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.061","0.0445","","","0.1143","0.1271","","","","","","1.029","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224360","13.9915","0.0006","19.1005","0.0008","19.0658","0.0007","90","","90","","90","","5095.2","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 chloroform solvate","","","- C52.8 H28.8 Cl6.4 N8 O8 -","- C52.8 H28.8 Cl6.4 N8 O8 -","- C211.2 H115.2 Cl25.6 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.1716","0.0491","","","0.0901","0.1178","","","","","","0.703","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224361","13.6868","0.0009","19.0571","0.0011","19.07","0.0011","90","","90","","90","","4974","0.5","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 dichloromethane solvate","","","- C52.61 H29.22 Cl5.22 N8 O8 -","- C52.61 H29.22 Cl5.22 N8 O8 -","- C210.44 H116.88 Cl20.88 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0845","0.0553","","","0.1458","0.1723","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224446","21.54","0.004","17.225","0.003","19.377","0.004","90","","90","","90","","7189","2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Erdppz2","","","- C36 H20 Cl3 Er N8 -","- C36 H20 Cl3 Er N8 -","- C288 H160 Cl24 Er8 N64 -","8","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0445","0.0343","","","0.0825","0.0872","","","","","","1.049","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7226123","21.4515","0.0004","8.4446","0.0001","8.9977","0.0001","90","","90","","90","","1629.93","0.04","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C56 H56 I8 N16 O8 -","8","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.071","0.0465","","","0.136","0.152","","","","","","1.024","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226462","29.218","0.003","11.1912","0.0011","22.9833","0.0017","90","","90","","90","","7515.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H23 Cd2 N2 O12 -","- C29 H23 Cd2 N2 O12 -","- C232 H184 Cd16 N16 O96 -","8","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.106","0.0662","","","0.1895","0.2155","","","","","","1.023","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7227518","8.462","0.008","14.549","0.015","18.799","0.018","90","","90","","90","","2314","4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C48 H32 N48 O32 Zn8 -","8","1","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1007","0.0942","","","0.1976","0.2008","","","","","","1.376","","","","has coordinates,has disorder","195019","2020-10-21","18:00:00",""
"7227648","30.365","0.011","12.085","0.004","13.365","0.004","90","","90","","90","","4904","3","133","2","133","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C32 H16 F10 -","- C32 H16 F10 -","- C256 H128 F80 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0914","0.0663","","","0.1364","0.1477","","","","","","1.093","","","","has coordinates,has disorder","193769","2020-10-21","18:00:00",""
"7227972","13.1036","0.0012","22.262","0.002","8.5052","0.0008","90","","90","","90","","2481.1","0.4","298","2","298.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H20 Na2 O14 P4 Zn3 -","- C16 H20 Na2 O14 P4 Zn3 -","- C64 H80 Na8 O56 P16 Zn12 -","4","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0384","0.0298","","","0.0789","0.0824","","","","","","1.046","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7228652","11.728","0.006","36.452","0.017","9.417","0.005","90","","90","","90","","4026","4","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 Cl3 N3 -","- C19 H14 Cl3 N3 -","- C152 H112 Cl24 N24 -","8","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1807","0.1017","","","0.2944","0.3607","","","","","","1.125","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7229729","11.8705","0.0005","31.689","0.002","23.8325","0.0009","90","","90","","90","","8964.9","0.8","293","2","293","","","","","","","","no","5","P c c n","-P 2ab 2ac","56","no","salt of vanadyl phthalocyanine radical anions with di(i_propyl)inidazolium cations","","- C41 H33 N10 O V -","- C41 H33 N10 O V -","- C328 H264 N80 O8 V8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1678","0.1294","","","0.3366","0.3624","","","","","","1.04","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7230693","23.6666","0.0004","13.6498","0.0002","7.1729","0.0001","90","","90","","90","","2317.16","0.06","271","","271","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H18 N2 S6 -","- C22 H18 N2 S6 -","- C88 H72 N8 S24 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","1.54187","CuKα","","","0.0353","","","","0.093","","","","","","1.123","","","","has coordinates","207884","2020-10-21","18:00:00",""
"7230734","7.852","0.003","15.069","0.006","23.107","0.01","90","","90","","90","","2734.1","1.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H20 F6 Fe N4 O8 S2 -","- C22 H20 F6 Fe N4 O8 S2 -","- C88 H80 F24 Fe4 N16 O32 S8 -","4","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1032","0.0804","","","0.2179","0.2479","","","","","","1.034","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230804","10.3635","0.0002","16.879","0.0004","15.2483","0.0003","90","","90","","90","","2667.32","0.1","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H38 Mg N4 O2 -","- C28 H38 Mg N4 O2 -","- C112 H152 Mg4 N16 O8 -","4","0.5","","Pousaneh, Elaheh; Rüffer, Tobias; Assim, Khaybar; Dzhagan, Volodymyr; Noll, Julian; Zahn, Dietrich R. T.; Mertens, Lutz; Mehring, Michael; Schulz, Stefan E.; Lang, Heinrich","Magnesium β-ketoiminates as CVD precursors for MgO formation","RSC Advances","2018","8","35","19668","","10.1039/C8RA01851K","","","1.54184","CuKα","","0.0483","0.0448","","","0.11","0.1124","","","","","","1.08","","","","has coordinates,has disorder","208024","2020-10-21","18:00:00",""
"7230860","16.6173","0.0002","11.1707","0.0001","12.4074","0.0002","90","","90","","90","","2303.15","0.05","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C104 H104 N40 -","8","1","","Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot, multicomponent reaction for the synthesis of novel 2-alkyl substituted 4-aminoimidazo[1,2-a][1,3,5]triazines","RSC Advances","2018","8","38","21495","","10.1039/C8RA03703E","","x-ray","1.54178","CuKα","","0.0337","0.0317","","","0.0832","0.0854","","","","","","1.036","","","","has coordinates","208299","2020-10-21","18:00:00",""
"7230993","9.8954","0.0004","19.31","0.0009","8.9868","0.0004","90","","90","","90","","1717.2","0.13","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C48 H96 N16 O32 -","8","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0455","0.0371","","","0.0996","0.106","","","","","","1.025","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7231495","9.396","0.002","37.076","0.008","9.9611","0.0016","90","","90","","90","","3470.1","1.2","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","0.71073","MoKα","","0.2045","0.0876","","","0.1727","0.2136","","","","","","0.982","","","","has coordinates","210455","2020-10-21","18:00:00",""
"7231836","19.4892","0.0005","21.6795","0.0005","10.5043","0.0003","90","","90","","90","","4438.2","0.2","100","2","100.03","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N4 O5 -","- C28 H18 N4 O5 -","- C224 H144 N32 O40 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0404","0.0379","","","0.1018","0.1043","","","","","","1.024","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7232085","11.4741","0.0012","17.026","0.002","5.9443","0.0006","90","","90","","90","","1161.3","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H6 N10 O6 Pb2 -","- C2 H6 N10 O6 Pb2 -","- C8 H24 N40 O24 Pb8 -","4","0.5","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.0755","0.0382","","","0.0813","0.0923","","","","","","1.059","","","","has coordinates","223597","2020-10-21","18:00:00",""
"7232432","13.829","0.005","14.439","0.005","26.153","0.005","90","0.005","90","0.005","90","0.005","5222","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27.5 H22 N3 O5 V0.5 -","- C27.5 H22 N3 O5 V0.5 -","- C220 H176 N24 O40 V4 -","8","1","","Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.","Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media","Green Chemistry","2019","21","7","1757","","10.1039/C8GC03909G","","","0.71073","MoKα","","0.2466","0.1927","","","0.5193","0.5556","","","","","","2.181","","","","has coordinates","224622","2020-10-21","18:00:00",""
"7232446","14.8436","0.0005","27.5747","0.0008","16.3246","0.0005","90","","90","","90","","6681.8","0.4","200","0.14","200","0.14","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C192 H128 N48 O32 Zn16 -","8","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0851","0.0656","","","0.1785","0.1919","","","","","","1.085","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232470","23.393","0.01","9.538","0.004","15.832","0.007","90","","90","","90","","3532","3","203","2","203","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H46 N4 O6 -","- C34 H46 N4 O6 -","- C136 H184 N16 O24 -","4","0.5","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.1744","0.0866","","","0.2404","0.2946","","","","","","1.054","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232609","17.7131","0.0009","7.5346","0.0004","16.195","0.0008","90","","90","","90","","2161.4","0.19","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Br2 Co N4 S2 -","- C20 H16 Br2 Co N4 S2 -","- C80 H64 Br8 Co4 N16 S8 -","4","0.5","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0301","0.0257","","","0.0643","0.0669","","","","","","1.07","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7233151","5.4624","0.001","34.996","0.006","14.787","0.003","90","","90","","90","","2826.7","0.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","2,7-Bis-(4-n-hexyl-thiophene-2-yl)-benzo[1,2-d:4,3-d']bis(thiazole)-4,5-dione","2,7-Bis-(4-n-hexyl-thiophene-2-yl)-benzo[1,2-d:4,3-d']bis(thiazole)-4,5-dione","","- C28 H30 N2 O2 S4 -","- C28 H30 N2 O2 S4 -","- C112 H120 N8 O8 S16 -","4","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0621","0.0385","","","0.0881","0.1019","","","","","","1.048","","","","has coordinates","217068","2020-10-21","18:00:00",""
"7233189","17.361","0.004","25.237","0.005","7.5371","0.0015","90","","90","","90","","3302.3","1.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Yu, Binhong; Wang, Yi; Wang, Lingrui; Tan, Xiao; Zhang, Yumo; Wang, Kai; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Spontaneous proton transfer in a series of amphoteric molecules under hydrostatic pressure","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02445J","","","0.71073","MoKα","","0.0907","0.0523","","","0.1138","0.1303","","","","","","1.033","","","","has coordinates","217139","2020-10-21","18:00:00",""
"7233228","10.8441","0.001","12.6667","0.0012","18.9978","0.0018","90","","90","","90","","2609.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Cl Cu N2 -","- C27 H38 Cl Cu N2 -","- C108 H152 Cl4 Cu4 N8 -","4","0.5","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0387","0.0285","","","0.0732","0.079","","","","","","1.037","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233531","16.7939","0.0004","17.0018","0.0005","15.0341","0.0003","90","","90","","90","","4292.63","0.18","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H42.8 N2.8 O2.1 -","- C18 H42.804 N2.804 O2.098 -","- C144 H342.432 N22.432 O16.784 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0548","0.0481","","","0.1236","0.1295","","","","","","1.028","","","","has coordinates,has disorder","223727","2020-10-21","18:00:00",""
"7233532","16.8256","0.0005","17.1025","0.0005","15.0186","0.0005","90","","90","","90","","4321.7","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H43 N3 O2 -","- C18 H43 N3 O2 -","- C144 H344 N24 O16 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0521","0.0447","","","0.1163","0.1218","","","","","","1.026","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233849","8.4366","0.0017","9.839","0.002","20.798","0.004","90","","90","","90","","1726.4","0.6","163","2","163.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C5 H18 Fe N10 O13 -","- C5 H18 Fe N10 O13 -","- C20 H72 Fe4 N40 O52 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0395","0.0368","","","0.0864","0.0883","","","","","","1.103","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7234638","15.2009","0.0019","9.7035","0.0011","12.0827","0.0015","90","","90","","90","","1782.2","0.4","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C80 H72 N24 -","8","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0743","0.0511","","","0.1385","0.163","","","","","","1.086","","","","has coordinates","219364","2020-10-21","18:00:00",""
"7235475","25.121","0.003","8.1738","0.0011","12.8146","0.0017","90","","90","","90","","2631.3","0.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H10 N2 O3 Se -","- C14 H10 N2 O3 Se -","- C112 H80 N16 O24 Se8 -","8","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0797","0.0694","","","0.1959","0.2041","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235570","10.079","0.008","11.523","0.01","15.799","0.012","90","","90","","90","","1835","3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H24 N6 O -","- C18 H24 N6 O -","- C72 H96 N24 O4 -","4","0.5","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C‒H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","0.71073","MoKα","","0.1073","0.0506","","","0.1358","0.1751","","","","","","0.969","","","","has coordinates","233143","2020-10-21","18:00:00",""
"7235880","11.07141","0.00013","44.297","0.0007","15.7761","0.0004","90","","90","","90","","7737.1","0.2","170","2","170.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H31 Cl3 F4 I2 N2 O4 -","- C37 H31 Cl3 F4 I2 N2 O4 -","- C296 H248 Cl24 F32 I16 N16 O32 -","8","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0698","0.0485","","","0.0973","0.1055","","","","","","1.106","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235997","22.4406","0.0002","37.5572","0.0003","23.51115","0.00019","90","","90","","90","","19815.3","0.3","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C105 H83.5 B Cu3 F4 N4 O6 P6 -","- C105 H83.43 B Cu3 F4 N4 O6 P6 -","- C840 H667.44 B8 Cu24 F32 N32 O48 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.0771","0.0733","","","0.1948","0.1972","","","","","","1.091","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7235998","37.5964","0.0004","22.4534","0.0003","23.4691","0.0002","90","","90","","90","","19811.8","0.4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C105 H84 Cl Cu3 N4 O10 P6 -","- C105 H84 Cl Cu3 N4 O10 P6 -","- C840 H672 Cl8 Cu24 N32 O80 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0685","0.0604","","","0.1454","0.1496","","","","","","1.06","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7235999","37.4996","0.0002","22.3071","0.0001","23.6473","0.0001","90","","90","","90","","19781.1","0.16","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C216 H177 Cu6 F12 N11 O12 P14 -","- C216 H177 Cu6 F12 N11 O12 P14 -","- C864 H708 Cu24 F48 N44 O48 P56 -","4","0.5","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0743","0.0699","","","0.2008","0.205","","","","","","1.088","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7236377","28.561","0.005","9.43","0.005","13.827","0.005","90","0.005","90","0.005","90","0.005","3724","2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C38 H24 Cu N8 O13 S4 -","- C38 H22 Cu N8 O13 S4 -","- C152 H88 Cu4 N32 O52 S16 -","4","0.5","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Gu, Jing-Yang; Liu, Bai-Ling; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Su, Zhong-Min","Changes of coordination modes of Cu-based coordination complexes as tuneable proton-conducting solid electrolytes","Journal of Materials Chemistry A","2017","5","3","1085","","10.1039/C6TA08581D","","","0.71069","MoKα","","0.0485","0.0374","","","0.0963","0.1022","","","","","","1.034","","","","has coordinates","235460","2020-10-21","18:00:00",""
"7236440","17.1216","0.0004","17.444","0.0004","7.8768","0.0002","90","","90","","90","","2352.56","0.1","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Ca3K2(gal)2(H2O)7.5","","","- C7 H9.5 Ca1.5 K O8.75 -","- C7 H2 Ca1.5 K O8.75 -","- C56 H16 Ca12 K8 O70 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0994","0.0548","","","0.1558","0.1844","","","","","","1.038","","","","has coordinates,has disorder","235513","2020-10-21","18:00:00",""
"7236441","17.3088","0.0016","17.4277","0.0015","7.8949","0.0007","90","","90","","90","","2381.5","0.4","297","2","297","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 Ca1.5 K O8.5 -","- C7 H2 Ca1.5 K O8.5 -","- C56 H16 Ca12 K8 O68 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0754","0.0665","","","0.2001","0.2084","","","","","","1.076","","","","has coordinates","235513","2020-10-21","18:00:00",""
"7236681","14.9001","0.0005","19.3837","0.0006","19.5935","0.0006","90","","90","","90","","5659","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","none","","","- C20 H28.5 In N2.5 O11 S2 -","- C20 H25.5 In N2.5 O11 S2 -","- C160 H204 In8 N20 O88 S16 -","8","1","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.074","0.0635","","","0.1592","0.1672","","","","","","1.062","","","","has coordinates,has disorder","236420","2020-10-21","18:00:00",""
"7236755","21.2811","0.0013","7.9273","0.0005","17.6973","0.0011","90","","90","","90","","2985.6","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","k130801","Ir(dfCF3)2acac","","- C31 H21 F10 Ir N2 O2 -","- C31 H21 F10 Ir N2 O2 -","- C124 H84 F40 Ir4 N8 O8 -","4","0.5","","Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes","Journal of Materials Chemistry C","2017","5","18","4480","","10.1039/C7TC00844A","","","0.71073","MoKα","","0.0393","0.0294","","","0.0743","0.0821","","","","","","0.983","","","","has coordinates","236485","2020-10-21","18:00:00",""
"7237827","12.9754","0.0019","36.63","0.005","12.4364","0.0018","90","","90","","90","","5910.9","1.5","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C37 H43 N -","- C37 H43 N -","- C296 H344 N8 -","8","1","","Feng, Xing; Zhang, Jun; Hu, Zhen; Wang, Qingsong; Islam, Md. Monarul; Ni, Jen-Shyang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Zhou, Erjun; Tang, Ben Zhong","Pyrene-based aggregation-induced emission luminogens (AIEgen): structure correlated with particle size distribution and mechanochromism","Journal of Materials Chemistry C","2019","7","23","6932","","10.1039/C9TC01665A","","","0.71073","MoKα","","0.1058","0.0616","","","0.1576","0.1871","","","","","","1.042","","","","has coordinates,has disorder","238645","2020-10-21","18:00:00",""
"7238075","15.217","0.006","33.919","0.009","7.85","0.01","90","","90","","90","","4052","6","293.2","","293.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H14 O2 S4 -","- C24 H14 O2 S4 -","- C192 H112 O16 S32 -","8","1","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0851","","","0.1106","","","","","1.411","1.411","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238972","9.3776","0.0005","13.9561","0.0009","14.0544","0.0008","90","","90","","90","","1839.37","0.19","113","2","113","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Iwakura, Izumi; Kato, Saki; Hino, Ryotaro; Fukumoto, Ayumu; Komori-Orisaku, Keiko; Koide, Yoshihiro","Pulsed Nd:YAG laser induced high throughput stereospecific [2 + 2] cycloaddition of highly organized 1,2-bis(4-pyridyl)ethylene in a supramolecular scaffold","RSC Advances","2013","3","16","5354","","10.1039/c3ra40558c","","","0.71075","MoKα","","0.0686","0.0597","","","0.1763","0.1916","","","","","","1.144","","","","has coordinates","244485","2020-10-21","18:00:00",""
"7239482","15.4","0.005","15.405","0.005","17.403","0.005","90","","90","","90","","4129","2","113","","113","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H53 N3 O2 S4 -","- C42 H44 N3 O2 S4 -","- C168 H176 N12 O8 S16 -","4","0.5","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.1383","0.0974","","","0.2057","0.2325","","","","","","1.066","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239772","16.1109","0.0005","19.4781","0.0006","15.7553","0.0005","90","","90","","90","","4944.2","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C51 H50 Cu2 N4 O15 -","- C51 H50 Cu2 N4 O15 -","- C204 H200 Cu8 N16 O60 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0708","0.0506","","","0.1461","0.1732","","","","","","1.023","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7240800","12.3609","0.0015","9.9856","0.0011","12.3887","0.0014","90","","90","","90","","1529.1","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.1192","0.113","","","0.289","0.2917","","","","","","1.496","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7242084","24.357","0.002","16.6019","0.0016","18.5781","0.0019","90","","90","","90","","7512.5","1.2","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C82 H60 Co3 N14 O15 -","- C82 H60 Co3 N14 O15 -","- C328 H240 Co12 N56 O60 -","4","0.5","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0693","0.0515","","","0.1261","0.1343","","","","","","0.983","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242410","36.912","0.004","19.18","0.002","22.158","0.003","90","","90","","90","","15687","3","175","2","175","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C60 H120 Cu2 N12 Nd2 O112 P2 W22 -","- C60 H48 Cu2 N12 Nd2 O92 P2 W22 -","- C240 H192 Cu8 N48 Nd8 O368 P8 W88 -","4","0.5","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0593","0.04","","","0.094","0.1027","","","","","","1.034","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242669","11.626","0.007","30.46","0.02","8.952","0.004","90","","90","","90","","3170","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 N6 O8 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0556","0.0383","","","0.1159","0.1243","","","","","","1.045","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242671","30.4091","0.0014","11.6865","0.0005","8.9577","0.0003","90","","90","","90","","3183.4","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 Co N6 O8 -","- C30 H32 Co N6 O8 -","- C120 H128 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.057","0.0444","","","0.137","0.1477","","","","","","1","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242672","11.7","0.004","30.466","0.01","8.959","0.003","90","","90","","90","","3193.5","1.9","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 N6 O8 Zn -","- C30 H32 N6 O8 Zn -","- C120 H128 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0511","0.042","","","0.0873","0.0909","","","","","","1.083","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242673","11.653","0.007","30.448","0.014","8.96","0.005","90","","90","","90","","3179","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 Co N6 O8 -","- C30 H34 Co N6 O8 -","- C120 H136 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0678","0.0502","","","0.2083","0.2259","","","","","","1.021","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7243081","17.8183","0.0011","23.7713","0.0015","9.3271","0.0006","90","","90","","90","","3950.6","0.4","273","2","273","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","MPMB1","","","- C33 H50 Cl4 Fe2 N8 O3 -","- C34 H56 Cl4 Fe2 N8 O5 -","- C136 H224 Cl16 Fe8 N32 O20 -","4","0.5","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation","RSC Advances","2021","11","35","21514","21526","10.1039/D1RA03135J","","","0.71073","MoKα","","0.0824","0.0752","","","0.1997","0.2071","","","","","","1.115","","","","has coordinates","266555","2021-06-18","04:15:10",""
"7244227","23.301","0.0002","11.3788","0.0001","8.8743","0.0001","90","","90","","90","","2352.91","0.04","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0417","0.0397","","","0.1074","0.109","","","","","","1.086","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244229","23.3004","0.0002","11.3861","0.0001","8.8768","0.0001","90","","90","","90","","2355.02","0.04","178","","178","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0377","","","0.1034","0.1052","","","","","","1.062","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244230","23.3149","0.0005","11.3966","0.0003","8.87109","0.00018","90","","90","","90","","2357.14","0.09","203","","203","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H8 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0959","0.0928","","","0.2594","0.2658","","","","","","1.16","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244231","23.3051","0.0002","11.4337","0.0001","8.8909","0.0001","90","","90","","90","","2369.1","0.04","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0446","0.0424","","","0.1174","0.1192","","","","","","1.072","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244233","23.6012","0.0004","11.3363","0.0002","8.94002","0.00015","90","","90","","90","","2391.9","0.07","223","","223","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0934","0.0953","","","","","","1.082","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244234","23.3","0.0002","11.4013","0.0001","8.881","0.0001","90","","90","","90","","2359.24","0.04","188","","188","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.056","0.0542","","","0.1556","0.1577","","","","","","1.101","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244235","23.715","0.0008","11.4034","0.0004","8.9608","0.0004","90","","90","","90","","2423.28","0.16","293","","293","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0669","0.0576","","","0.1785","0.2082","","","","","","1.131","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244236","23.3143","0.0004","11.3889","0.0002","8.873","0.0002","90","","90","","90","","2356","0.08","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0638","0.061","","","0.1785","0.1826","","","","","","1.066","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244237","23.3143","0.0005","11.3349","0.0003","8.8651","0.0002","90","","90","","90","","2342.74","0.1","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0579","0.0552","","","0.1559","0.1598","","","","","","1.095","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244238","23.3008","0.0002","11.372","0.0001","8.8724","0.0001","90","","90","","90","","2350.98","0.04","168","","168","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0378","0.0356","","","0.0973","0.0991","","","","","","1.078","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244239","23.2933","0.0003","11.4091","0.0001","8.8839","0.0001","90","","90","","90","","2360.95","0.05","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0375","","","0.1038","0.1058","","","","","","1.064","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244240","23.3005","0.0004","11.4213","0.0002","8.882","0.0002","90","","90","","90","","2363.7","0.08","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0843","0.0811","","","0.2268","0.2321","","","","","","1.06","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244241","23.3401","0.0004","11.5126","0.0002","8.9207","0.0001","90","","90","","90","","2397.04","0.06","293","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0434","0.0393","","","0.1055","0.1085","","","","","","1.075","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244242","23.3045","0.0002","11.3409","0.0001","8.8643","0.0001","90","","90","","90","","2342.78","0.04","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0346","","","0.0974","0.0993","","","","","","1.053","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244243","23.3229","0.0004","11.3803","0.00019","8.87309","0.00014","90","","90","","90","","2355.11","0.07","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1576","0.161","","","","","","1.07","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244244","23.3007","0.0002","11.4142","0.0001","8.8869","0.0001","90","","90","","90","","2363.55","0.04","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.045","0.0431","","","0.1216","0.1237","","","","","","1.061","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244245","23.5252","0.0004","11.2799","0.0002","8.9163","0.0002","90","","90","","90","","2366.05","0.08","148","","148","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.049","0.0458","","","0.1146","0.1173","","","","","","1.034","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244246","23.303","0.0002","11.3934","0.0001","8.8783","0.0001","90","","90","","90","","2357.19","0.04","183","","183","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0466","0.0446","","","0.125","0.1272","","","","","","1.117","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244665","12.0593","0.0007","16.1161","0.001","20.7106","0.0009","90","","90","","90","","4025.1","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H20 O6 -","- C23 H20 O6 -","- C184 H160 O48 -","8","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","1.3414","GaKα","","0.0804","0.067","","","0.1843","0.2027","","","","","","1.07","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7245298","24.9888","0.001","6.3547","0.0003","9.8148","0.0004","90","","90","","90","","1558.55","0.12","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H23 K O8 -","- C12 H23 K O8 -","- C48 H92 K4 O32 -","4","0.5","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0596","0.0551","","","0.1355","0.1377","","","","","","1.166","","","","has coordinates","277221","2022-08-12","22:40:38",""
"7245432","7.0897","0.0005","12.7224","0.0007","17.114","0.0011","90","","90","","90","","1543.65","0.17","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Cl Cu N4 O6 -","- C12 H11 Cl Cu N4 O6 -","- C48 H44 Cl4 Cu4 N16 O24 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0597","0.035","","","0.0747","0.0859","","","","","","1.02","","","","has coordinates,has disorder","277614","2022-09-03","22:34:16",""
"7246416","16.0184","0.0006","17.2661","0.0007","8.8793","0.0004","90","","90","","90","","2455.8","0.17","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Cu N4 O5 -","- C22 H36 Cu N4 O5 -","- C88 H144 Cu4 N16 O20 -","4","0.5","","Acharya, Prasun; Kuila, Arun; Pramanik, Ushasi; Hathwar, Venkatesha R.; Brandao, Paula; Mukherjee, Saptarshi; Maity, Swapan; Maity, Tithi; Maity, Ribhu; Chandra Samanta, Bidhan","Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies","RSC Advances","2023","13","11","7632","7644","10.1039/D2RA08341H","","","0.71073","MoKα","","0.0572","0.0401","","","0.1047","0.1176","","","","","","1.131","","","","has coordinates","281759","2023-03-09","02:16:47",""
"7246734","15.3952","0.001","31.5081","0.0017","9.8531","0.0006","90","","90","","90","","4779.5","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C200 H216 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1147","0.0641","","","0.1607","0.1887","","","","","","1.03","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7247232","56.5791","0.001","6.894","0.0001","6.1018","0.0001","90","","90","","90","","2380.05","0.07","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0544","0.054","","","0.1193","0.1194","","","","","","1.375","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247233","55.8702","0.001","6.9161","0.0002","6.1083","0.0001","90","","90","","90","","2360.27","0.09","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.1201","0.1145","","","0.258","0.2599","","","","","","1.171","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247235","56.4542","0.0012","6.902","0.0002","6.1053","0.0001","90","","90","","90","","2378.91","0.09","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0431","0.0391","","","0.0958","0.0976","","","","","","1.116","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247731","10.3085","0.0007","16.7006","0.0011","18.9218","0.0013","90","","90","","90","","3257.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H26 Co N4 O6 -","- C34 H26 Co N4 O6 -","- C136 H104 Co4 N16 O24 -","4","0.5","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0979","0.0768","","","0.1527","0.1631","","","","","","1.176","","","","has coordinates","288802","2024-01-06","08:02:42",""
"7247733","10.4988","0.0003","16.7826","0.0004","18.4931","0.0005","90","","90","","90","","3258.43","0.15","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70 H55 N9 Ni2 O12 -","- C70 H55 N9 Ni2 O12 -","- C140 H110 N18 Ni4 O24 -","2","0.25","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0728","0.0568","","","0.151","0.1651","","","","","","1.07","","","","has coordinates,has disorder","288802","2024-01-06","08:03:03",""
"7248219","13.9706","0.00016","26.3924","0.0003","19.9773","0.0003","90","","90","","90","","7365.98","0.16","100","0.1","100","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Caff-Py","","","- C34 H43 N8 O15.5 -","- C34 H43 N8 O15.5 -","- C272 H344 N64 O124 -","8","1","","Molajafari, Fateme; Li, Tianrui; Abbasichaleshtori, Mehrnaz; Hajian Z. D., Moein; Cozzolino, Anthony F.; Fandrick, Daniel R.; Howe, Joshua D.","Computational screening for prediction of co-crystals: method comparison and experimental validation","CrystEngComm","2024","26","11","1620","1636","10.1039/D3CE01252B","","x-ray","1.54184","CuKα","","0.0553","0.0433","","","0.1127","0.1203","","","","","","1.033","","","","has coordinates","290895","2024-04-04","23:08:54",""
"7248320","14.4495","0.0002","7.5081","0.0001","13.634","0.0002","90","","90","","90","","1479.13","0.04","100","1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","bis((4-bromo-2,6-difluorophenyl)thio)methane","","- C13 H6 Br2 F4 S2 -","- C13 H6 Br2 F4 S2 -","- C52 H24 Br8 F16 S8 -","4","0.5","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0211","0.0209","","","0.0543","0.0544","","","","","","1.112","","","","has coordinates","290568","2024-03-21","00:58:28",""
"7248334","12.3533","0.0004","27.6883","0.0008","21.444","0.0007","90","","90","","90","","7334.7","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C86 H72 N12 Zn2 -","- C86 H72 N12 Zn2 -","- C344 H288 N48 Zn8 -","4","0.5","","Chauhan, Pinky; Pushpanandan, Poornenth; Ravikanth, Mangalampalli","Synthesis, structure, and properties of helical bis-Zn(ii) complexes of hexapyrrolic ligands","CrystEngComm","2024","26","17","2259","2268","10.1039/D4CE00019F","","x-ray","0.71073","MoKα","","0.0879","0.0541","","","0.1256","0.1481","","","","","","1.021","","","","has coordinates","291590","2024-05-05","02:10:51",""
"7700243","17.7735","0.0012","18.5313","0.0011","32.2015","0.0019","90","","90","","90","","10606.1","1.1","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C106 H114 Cl2 I3 N22 Ni3 O10 -","- C106 H114 Cl2 I3 N22 Ni3 O10 -","- C424 H456 Cl8 I12 N88 Ni12 O40 -","4","0.5","","Hsieh, Chang-Lin; Liu, Tsai-Jung; Song, You; Lee, Gene-Hsiang; Jin, Bih-Yaw; Lin, Tien-Sung; Peng, Shie-Ming","The synthesis and magnetic properties of a linear mixed-valence [Ni<sub>3</sub>]<sup>5+</sup> in an anthyridine tri-nickel complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9912","9915","10.1039/c9dt02022e","","","0.71073","MoKα","","0.113","0.0816","","","0.1864","0.1999","","","","","","1.158","","","","has coordinates,has disorder","223862","2020-10-21","18:00:00",""
"7700503","15.408","0.005","19.133","0.005","30.848","0.005","90","","90","","90","","9094","4","143","","143","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C76 H90 B3 F8 Fe3 N12 O14 -","- C76 H90 B3 F8 Fe3 N12 O14 -","- C304 H360 B12 F32 Fe12 N48 O56 -","4","0.5","","Woodhouse, Sidney S.; De Silva, D Nirosha T; Jameson, Geoffrey B.; Cutler, Daniel J.; Sanz, Sergio; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","New salicylaldoximato-borate ligands resulting from anion hydrolysis and their respective copper and iron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11872","11881","10.1039/c9dt01968e","","","1.54187","CuKα","","0.1025","0.0861","","","0.2471","0.2674","","","","","","1.08","","","","has coordinates,has disorder","224361","2020-10-21","18:00:00",""
"7700867","11.5834","0.0005","12.4815","0.0005","9.1984","0.0004","90","","90","","90","","1329.89","0.1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 N4 O4 Pb -","- C12 H10 N4 O4 Pb -","- C48 H40 N16 O16 Pb4 -","4","0.5","","Wu, Xiao-Shuo; Tang, Yue-Rou; Liu, Jian-Lan; Wang, Lifeng; Ren, Xiao-Ming","Comprehensively understanding the steric hindrance effect on the coordination sphere of Pb<sup>2+</sup> ions and photophysical nature of two luminescent Pb(ii)-coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13841","13849","10.1039/c9dt02928a","","","0.71073","MoKα","","0.0286","0.0194","","","0.0656","0.0695","","","","","","0.999","","","","has coordinates","224471","2020-10-21","18:00:00",""
"7701932","11.0854","0.0005","26.1784","0.0012","7.1879","0.0003","90","","90","","90","","2085.91","0.16","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C9 H8 N O S2 Tl -","- C9 H8 N O S2 Tl -","- C72 H64 N8 O8 S16 Tl8 -","8","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0365","0.0233","","","0.0506","0.0545","","","","","","0.991","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701987","12.5958","0.0008","24.8514","0.0015","12.0503","0.0007","90","","90","","90","","3772","0.4","185","2","185","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H48 Cl4 Lu2 N2 -","- C36 H48 Cl4 Lu2 N2 -","- C144 H192 Cl16 Lu8 N8 -","4","0.5","","Mu, Ying; Song, Tingting; Liu, Ning; Tong, Xiaobo; Li, Feng; Mu, Xiaoyue","Half-Sandwich Rare-Earth Metal Complexes Bearing a C5Me4-C6H4-o-CH2NMe2 Ligand: Synthesis, Characterization and Catalytic Properties for Isoprene, 1-Hexene and MMA Polymerization","Dalton Transactions","2019","","","","","10.1039/C9DT04029C","","","0.71073","MoKα","","0.0268","0.0214","","","0.0514","0.0534","","","","","","1.043","","","","has coordinates","231026","2020-10-21","18:00:00",""
"7702114","18.1011","0.0008","19.3828","0.0008","10.2749","0.0004","90","","90","","90","","3604.9","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H28 Cl Eu3 O22 -","- C32 H28 Cl Eu3 O22 -","- C128 H112 Cl4 Eu12 O88 -","4","0.5","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.0573","0.053","","","0.1603","0.1641","","","","","","1.041","","","","has coordinates,has disorder","234759","2020-10-21","18:00:00",""
"7702445","18.47","0.001","3.748","0.012","16.667","0.005","90","","90","","90","","1154","4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[Ag(2,7-diazapyrene)]NO3","(2,7-Diazapyrene)nitratosilver(I)","","- C28 H16 Ag2 N6 O6 -","- C28 H16 Ag2 N6 O6 -","- C56 H32 Ag4 N12 O12 -","2","0.25","","Blake, Alexander J.; Baum, Gerhard; Champness, Neil R.; Chung, Simon S. M.; Cooke, Paul A.; Fenske, Dieter; Khlobystov, Andrei N.; Lemenovskii, Dmitrii A.; Li, Wan-Sheung; Schröder, Martin","Long-range chain orientation in 1-D co-ordination polymers as a function of anions and intermolecular aromatic interactions","Journal of the Chemical Society, Dalton Transactions","2000","","23","4285","","10.1039/b006202m","","","0.71073","MoKα","","0.0438","0.0293","","","0.0731","0.0747","","","","","","1.049","","","","has coordinates","243870","2020-10-21","18:00:00",""
"7702901","23.764","0.005","16.18","0.002","12.5376","0.0018","90","","90","","90","","4820.7","1.4","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Dichloro(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)yttrium(III) tetrachloroferrate","","- C12 H24 Cl6 Fe O4 S2 Y -","- C12 H24 Cl6 Fe O4 S2 Y -","- C96 H192 Cl48 Fe8 O32 S16 Y8 -","8","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0419","0.0301","","","0.0627","0.0664","","","","","","1.051","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7703063","12.3848","0.0011","23.95","0.003","16.0358","0.0017","90","","90","","90","","4756.5","0.9","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","H2O","","- C56 H36 Fe N10 O2 S2 -","- C56 H36 Fe N10 O2 S2 -","- C224 H144 Fe4 N40 O8 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.1363","0.0876","","","0.1844","0.2108","","","","","","1.061","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703064","12.0479","0.0017","25.4757","0.0015","14.6834","0.0015","90","","90","","90","","4506.8","0.8","149.99","0.1","149.99","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","C28H16Fe0.5N5S","","- C56 H32 Fe N10 S2 -","- C56 H32 Fe N10 S2 -","- C224 H128 Fe4 N40 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2009","0.1308","","","0.2657","0.2924","","","","","","1.169","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703065","12.1817","0.0008","25.003","0.0017","17.0415","0.0013","90","","90","","90","","5190.5","0.6","299.96","0.1","299.96","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H38FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.0795","0.0517","","","0.1259","0.1399","","","","","","1.026","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703066","11.988","0.0003","24.7721","0.0007","16.8246","0.0005","90","","90","","90","","4996.4","0.2","150","0.1","150","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H38FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.0326","0.0299","","","0.0798","0.0816","","","","","","1.037","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703067","12.1381","0.0013","24.95","0.003","16.8691","0.0016","90","","90","","90","","5108.7","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H44FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2312","0.1429","","","0.2453","0.3116","","","","","","1.224","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703068","11.9693","0.0013","24.7798","0.0013","16.7667","0.0009","90","","90","","90","","4973","0.7","149.99","0.1","149.99","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H42FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.1959","0.1401","","","0.2793","0.3159","","","","","","1.214","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703069","12.5057","0.0019","24.082","0.004","16.14","0.002","90","","90","","90","","4860.8","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1.2H2O","","- C56 H36 Fe N10 O2 S2 -","- C56 H36 Fe N10 O2 S2 -","- C224 H144 Fe4 N40 O8 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2636","0.1377","","","0.2281","0.287","","","","","","1.095","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703140","28.7495","0.0004","21.2482","0.0003","15.7822","0.0002","90","","90","","90","","9641","0.2","100","3","100","3","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 I3 P Pt -","- C16 H36 I3 P Pt -","- C256 H576 I48 P16 Pt16 -","16","2","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0328","0.0233","","","0.0447","0.0472","","","","","","1.073","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703235","26.7486","0.0011","14.7414","0.0006","23.335","0.001","90","","90","","90","","9201.3","0.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C98 H134 N4 Na2 O11 Re2 -","- C98 H134 N4 Na2 O11 Re2 -","- C392 H536 N16 Na8 O44 Re8 -","4","0.5","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.026","0.0235","","","0.0523","0.0535","","","","","","1.053","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703301","19.2128","0.0007","29.4172","0.0011","9.7806","0.0003","90","","90","","90","","5527.9","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28 H28 I10 K2 N4 O8 Pb4 -","- C28 H28 I10 K2 N4 O8 Pb4 -","- C112 H112 I40 K8 N16 O32 Pb16 -","4","0.5","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.0276","0.0257","","","0.0968","0.099","","","","","","1.005","","","","has coordinates","248946","2020-10-21","18:00:00",""
"7703336","20.3467","0.0003","13.1849","0.0003","4.90129","0.00008","90","","90","","90","","1314.87","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,2-azidoaniline","","- C6 H6 N4 -","- C6 H6 N4 -","- C48 H48 N32 -","8","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0354","0.0341","","","0.0932","0.0943","","","","","","1.064","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703457","17.2279","0.0005","17.4336","0.0005","20.9343","0.0006","90","","90","","90","","6287.5","0.3","100","2","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) iodide","","- C68 H86 Co I2 N6 O -","- C68 H86 Co I2 N6 O -","- C272 H344 Co4 I8 N24 O4 -","4","0.5","","Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.","Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2426","2430","10.1039/c9dt04624k","","x-ray","0.71073","MoKα","","0.0609","0.0407","","","0.0947","0.1084","","","","","","1.028","","","","has coordinates,has disorder","248920","2020-10-21","18:00:00",""
"7704824","21.7725","0.0007","21.9575","0.0009","14.8458","0.0006","90","","90","","90","","7097.3","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C48 H80 Cu N16 O28 V10 -","- C48 H80 Cu N16 O28 V10 -","- C192 H320 Cu4 N64 O112 V40 -","4","0.5","","Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun","Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10970","10976","10.1039/d0dt02162h","","","1.54178","CuKα","","0.089","0.065","","","0.1738","0.1946","","","","","","1.04","","","","has coordinates","256094","2020-10-21","18:00:00",""
"7704846","19.5786","0.0009","29.0287","0.0013","9.9053","0.0004","90","","90","","90","","5629.6","0.4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N0 O10 P2 S Zn2 -","- C6 H4 O10 P2 S Zn2 -","- C48 H32 O80 P16 S8 Zn16 -","8","1","","Hsieh, Jui; Chen, Ju-Ying; Li, Han-Ying; Liu, Hsin-Kuan; Tu, Hsiung-Lin; Wang, Chih-Min","A thio-functionalized zinc phosphite with a large-channel framework and enhanced removal ability of mercury ion from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11085","11089","10.1039/d0dt02270e","","","0.71073","MoKα","","0.0702","0.0453","","","0.1237","0.1338","","","","","","1.014","","","","has coordinates","256065","2020-10-21","18:00:00",""
"7704873","17.0267","0.0005","16.8322","0.0005","22.5364","0.0008","90","","90","","90","","6458.9","0.4","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H64 N6 O8 Tb2 -","- C76 H64 N6 O8 Tb2 -","- C304 H256 N24 O32 Tb8 -","4","0.5","","Hahn, Peter; Ullmann, Steve; Klose, Jennifer; Peng, Yan; Powell, Annie K.; Kersting, Berthold","Dinuclear Tb and Dy complexes supported by hybrid Schiff-base/calixarene ligands: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10901","10908","10.1039/d0dt02209h","","","1.54186","CuKα","","0.1051","0.0719","","","0.1647","0.1835","","","","","","1.066","","","","has coordinates","256089","2020-10-21","18:00:00",""
"7704874","16.8208","0.0005","16.9909","0.0004","22.5406","0.0007","90","","90","","90","","6442.1","0.3","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H64 Dy2 N6 O8 -","- C76 H64 Dy2 N6 O8 -","- C304 H256 Dy8 N24 O32 -","4","0.5","","Hahn, Peter; Ullmann, Steve; Klose, Jennifer; Peng, Yan; Powell, Annie K.; Kersting, Berthold","Dinuclear Tb and Dy complexes supported by hybrid Schiff-base/calixarene ligands: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10901","10908","10.1039/d0dt02209h","","","1.54186","CuKα","","0.1034","0.0713","","","0.1817","0.2067","","","","","","0.946","","","","has coordinates","256089","2020-10-21","18:00:00",""
"7705141","21.9189","0.0013","9.0536","0.0006","17.5745","0.0011","90","","90","","90","","3487.6","0.4","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 Au2 O P2 -","- C42 H34 Au2 O P2 -","- C168 H136 Au8 O4 P8 -","4","0.5","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.043","0.0312","","","0.0618","0.0675","","","","","","1.0559","","","","has coordinates,has disorder","256083","2020-10-21","18:00:00",""
"7705281","23.9507","0.0016","12.4142","0.0009","22.5931","0.0016","90","","90","","90","","6717.6","0.8","120","2","119.99","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- S17 Sn8 -","- S17 Sn8 -","- S68 Sn32 -","4","0.5","","Wu, Sijie; Wu, Zhou; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Li, Dong-Sheng; Wu, Tao","Two new layered metal chalcogenide frameworks as photocatalysts for highly efficient and selective dye degradation.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13276","13281","10.1039/d0dt02454f","","","0.71073","MoKα","","0.1289","0.0493","","","0.139","0.1906","","","","","","1.008","","","","has coordinates","258867","2020-11-06","12:23:37",""
"7705569","10.869","0.002","18.441","0.004","21.954","0.004","90","","90","","90","","4400.4","1.5","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H18 F36 K2 O9 Sn -","- C27 H18 F36 K2 O9 Sn -","- C108 H72 F144 K8 O36 Sn4 -","4","0.5","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","x-ray","0.71073","MoKα","","0.0715","0.053","","","0.0921","0.0969","","","","","","1.268","","","","has coordinates","258825","2020-11-06","12:10:42",""
"7706429","17.1879","0.0003","21.852","0.0004","18.7739","0.0004","90","","90","","90","","7051.3","0.2","130","2","130","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H28 Li N3 O11 S2 Zn -","- C20.001 H26.001 Li N3 O10.001 S2 Zn -","- C160.008 H208.008 Li8 N24 O80.008 S16 Zn8 -","8","1","","Sapianik, Aleksandr A.; Barsukova, Marina O.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Fedin, Vladimir P.","Heterometallic MOFs constructed from thiophene and furandicarboxylate ligands for heavy metal luminescence sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2807","2814","10.1039/d0dt04047a","","x-ray","0.71073","MoKα","","0.0711","0.0587","","","0.1932","0.2043","","","","","","1.083","","","","has coordinates,has disorder","262600","2021-03-05","01:54:01",""
"7707006","8.5204","0.0011","16.1865","0.0019","17.696","0.002","90","","90","","90","","2440.6","0.5","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 F2 I Mn N4 O2 -","- C22 H26 F2 I Mn N4 O2 -","- C88 H104 F8 I4 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.069","0.0414","","","0.1023","0.1222","","","","","","1.045","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707008","7.6696","0.0013","16.176","0.003","17.944","0.003","90","","90","","90","","2226.2","0.7","100","2","100.05","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Br0.71 Cl0.29 F2 Mn N4 O2 -","- C22 H26 Br0.711 Cl0.289 F2 Mn N4 O2 -","- C88 H104 Br2.844 Cl1.156 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0362","0.0272","","","0.066","0.0701","","","","","","1.076","","","","has coordinates,has disorder","265999","2021-06-05","18:30:37",""
"7707009","7.867","0.0009","16.136","0.002","17.6938","0.0019","90","","90","","90","","2246.1","0.4","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Cl F2 Mn N4 O2 -","- C22 H26 Cl F2 Mn N4 O2 -","- C88 H104 Cl4 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0952","0.0463","","","0.0892","0.1102","","","","","","1.068","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707011","7.9166","0.0016","16.279","0.003","18.585","0.004","90","","90","","90","","2395.1","0.8","100","2","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 F2 I Mn N4 O2 -","- C22 H26 F2 I Mn N4 O2 -","- C88 H104 F8 I4 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.1017","0.0759","","","0.1709","0.1845","","","","","","1.182","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707012","7.665","0.003","16.221","0.006","17.762","0.005","90","","90","","90","","2208.4","1.3","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Cl F2 Mn N4 O2 -","- C22 H26 Cl F2 Mn N4 O2 -","- C88 H104 Cl4 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0459","0.0333","","","0.0831","0.0902","","","","","","1.052","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707019","8.0357","0.0008","16.0975","0.0015","17.7115","0.0017","90","","90","","90","","2291.1","0.4","298","2","298","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Br0.72 Cl0.28 F2 Mn N4 O2 -","- C22 H26 Br0.722 Cl0.278 F2 Mn N4 O2 -","- C88 H104 Br2.888 Cl1.112 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0585","0.0368","","","0.0834","0.0934","","","","","","1.08","","","","has coordinates,has disorder","265999","2021-06-05","18:30:37",""
"7707264","16.135","0.003","13.7","0.002","13.745","0.003","90","","90","","90","","3038.3","1","213","2","213","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Ag8 I12 S16 -","- C24 H16 Ag8 I12 S16 -","- C48 H32 Ag16 I24 S32 -","2","0.25","","Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8120","8126","10.1039/d1dt00631b","","","0.71073","MoKα","","0.0751","0.0408","","","0.0906","0.1042","","","","","","1.007","","","","has coordinates","267189","2021-07-05","17:42:53",""
"7707265","13.4453","0.0016","15.8728","0.0019","13.4449","0.0016","90","","90","","90","","2869.3","0.6","213","2","213","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Cu4 I6 O S8 -","- C12 H8 Cu4 I6 O S8 -","- C48 H32 Cu16 I24 O4 S32 -","4","0.5","","Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8120","8126","10.1039/d1dt00631b","","","0.71073","MoKα","","0.0473","0.0353","","","0.0901","0.0988","","","","","","1.019","","","","has coordinates","267189","2021-07-05","17:42:53",""
"7707691","12.9876","0.0004","15.7182","0.0004","16.7412","0.0006","90","","90","","90","","3417.58","0.18","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C17.6 H24 F9.6 N1.6 P1.6 S4.8 Tl1.6 -","- C17.6 H24 F9.6 N1.6 P1.6 S4.8 Tl1.6 -","- C88 H120 F48 N8 P8 S24 Tl8 -","5","0.625","","Caddeo, Francesco; Fernández-Moreira, Vanesa; Arca, Massimiliano; Pintus, Anna; Laguna, Antonio; Lippolis, Vito; Gimeno, M Concepción","Luminescent gold-thallium derivatives with a pyridine-containing 12-membered aza-thioether macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9709","9718","10.1039/d1dt01599k","","","0.71073","MoKα","","0.0467","0.0372","","","0.0988","0.1059","","","","","","1.041","","","","has coordinates","268717","2021-09-06","10:56:04",""
"7708865","11.5994","0.0002","20.72","0.0004","14.752","0.0002","90","","90","","90","","3545.49","0.1","99.9","0.3","99.9","0.3","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C29 H26.6 Cl2.6 F7.4 Ge O5.1 P2 S1.7 -","- C29 H26.6 Cl2.6 F7.4 Ge O5.1 P2 S1.7 -","- C116 H106.4 Cl10.4 F29.6 Ge4 O20.4 P8 S6.8 -","4","0.5","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0618","0.0483","","","0.1001","0.1046","","","","","","1.163","","","","has coordinates,has disorder","270707","2021-11-17","00:15:46",""
"7709434","14.7397","0.0007","18.1959","0.0009","22.9425","0.0011","90","","90","","90","","6153.2","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C38 H50 N2 Ti -","- C38 H50 N2 Ti -","- C304 H400 N16 Ti8 -","8","1","","Fischer, Malte; Roy, Matthew; Hüller, Sascha; Schmidtmann, Marc; Beckhaus, Ruediger","Reaction of a Bis(pentafulvene)titanium Complex with an N-Heterocyclic Olefin: C–H-Activation Leads to Resonance Between a Titanium Vinyl and Titanium Alkylidene Complex","Dalton Transactions","2022","","","","","10.1039/D2DT00014H","","","0.71073","MoKα","","0.0642","0.0497","","","0.1301","0.1417","","","","","","1.028","","","","has coordinates,has disorder","272849","2022-02-08","00:02:31",""
"7709944","20.7882","","10.506","","19.8771","","90","","90","","90","","4341.17","","140","","140","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Copper(II) Selenolate","","- C50 H32 Cu N4 O2 Se4 -","- C50 H32 Cu N4 O2 Se4 -","- C200 H128 Cu4 N16 O8 Se16 -","4","0.5","","Upadhyay, Aditya; Meena, Harshita; Jha, Raushan Kumar; Kanika, Kanika; Kumar, Sangit","Isolation of Monomeric Copper(II) Phenolate Selenoether Complexes using Chelating ortho-Bisphenylselenide-phenolate Ligands and Their Electrocatalytic Hydrogen Gas Evolution Activity","Dalton Transactions","2022","","","","","10.1039/D2DT00678B","","","0.71073","MoKα","","0.0411","0.0284","","","0.0606","0.0672","","","","","","1.0461","","","","has coordinates","274440","2022-04-08","23:00:57",""
"7710154","22.5729","0.0006","32.419","0.0003","43.4373","0.0005","90","","90","","90","","31787","1","100.01","0.1","100.01","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- Fe8 Li48 Nb48 O216 -","- Fe8 Li48 Nb48 O216 -","- Fe32 Li192 Nb192 O864 -","4","0.5","","Baranov, Mark; Polin, Libi; Leffler, Nitai; Leitus, Gregory; Shames, Alexander I.; Weinstock, Ira A.","All-inorganic ferric wheel based on hexaniobate-anion linkers","Dalton Transactions","2022","","","","","10.1039/D2DT00971D","","x-ray","1.54184","CuKα","","0.0895","0.0767","","","0.2338","0.2479","","","","","","1.086","","","","has coordinates,has disorder","274816","2022-05-02","23:19:31",""
"7710206","19.096","0.002","10.6565","0.0014","17.243","0.002","90","","90","","90","","3508.9","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C34 H36 F6 Mn N8 O2 P -","- C34 H36 F6 Mn N8 O2 P -","- C136 H144 F24 Mn4 N32 O8 P4 -","4","0.5","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Sarkar, Debopam; Herchel, Radovan; Mondal, Abhishake","Impact of counter anions on spin-state switching of manganese(iii) complexes containing an azobenzene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00660J","","","0.71073","MoKα","","0.0708","0.04","","","0.0867","0.1004","","","","","","1.024","","","","has coordinates","275154","2022-05-06","22:52:13",""
"7710352","12.9548","0.0003","16.8937","0.0003","24.5878","0.0005","90","","90","","90","","5381.15","0.19","180","0.1","180","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H84 Cl2 La2 -","- C52 H84 Cl2 La2 -","- C208 H336 Cl8 La8 -","4","0.5","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.0439","0.0345","","","0.0563","0.0594","","","","","","1.276","","","","has coordinates","276607","2022-07-06","08:06:51",""
"7710582","17.6419","0.001","33.4658","0.0019","12.2346","0.0007","90","","90","","90","","7223.3","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C30 H22 Ag2 F2 N10 O13 U -","- C30 H22 Ag2 F2 N10 O13 U -","- C240 H176 Ag16 F16 N80 O104 U8 -","8","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0203","0.0192","","","0.043","0.0435","","","","","","1.109","","","","has coordinates","276211","2022-06-23","23:17:00",""
"7710878","21.409","0.004","32.303","0.007","7.353","0.0015","90","","90","","90","","5085.2","1.8","102","2","102","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H21 Cl N3 O2 Ru -","- C30 H21 Cl N3 O2 Ru -","- C240 H168 Cl8 N24 O16 Ru8 -","8","1","","Kim, Minyoung; Park, Seongchul; Song, Dayoon; Moon, Dohyun; You, Youngmin; Lim, Manho; Lee, Hong-In","Visible-light NO photolysis of ruthenium nitrosyl complexes with N<sub>2</sub>O<sub>2</sub> ligands bearing π-extended rings and their photorelease dynamics.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11404","11415","10.1039/d2dt01019d","","","0.7","synchrotron","","0.0419","0.0362","","","0.1053","0.1093","","","","","","1.126","","","","has coordinates","277047","2022-08-02","22:54:41",""
"7710917","11.6681","0.0007","21.2988","0.0013","18.9147","0.0009","90","","90","","90","","4700.6","0.5","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C192 H208 Si16 -","4","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0931","0.0738","","","0.2043","0.2273","","","","","","1.043","","","","has coordinates","277157","2022-08-08","23:13:03",""
"7711029","17.3914","0.001","29.6294","0.0016","11.5114","0.0006","90","","90","","90","","5931.8","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","MAM610","","","- C44 H40 Cu F30 N12 P5 -","- C44 H40 Cu F30 N12 P5 -","- C176 H160 Cu4 F120 N48 P20 -","4","0.5","","Ruiz, Javier; Mateo, María A.","First synthesis of an isocyanide-functionalized imidazolium salt and transition metal complexes thereof","Dalton Transactions","2022","","","","","10.1039/D2DT02119F","","","0.71073","MoKα","","0.0655","0.0538","","","0.1208","0.1261","","","","","","1.123","","","","has coordinates,has disorder","277330","2022-08-19","23:03:19",""
"7711582","16.7239","0.0016","21.489","0.003","8.2014","0.0009","90","","90","","90","","2947.4","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H20 Ag N O4 S2 -","- C11 H20 Ag N O4 S2 -","- C88 H160 Ag8 N8 O32 S16 -","8","1","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.0457","0.035","","","0.0812","0.0882","","","","","","1.047","","","","has coordinates","278839","2022-10-27","22:54:22",""
"7711721","15.6815","0.0012","18.0929","0.0013","14.0804","0.0011","90","","90","","90","","3994.9","0.5","223","2","223","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H64 N2 O10 -","- C34 H64 N2 O10 -","- C136 H256 N8 O40 -","4","0.5","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.1454","0.067","","","0.1702","0.221","","","","","","1.009","","","","has coordinates","279126","2022-11-08","23:59:50",""
"7711739","20.844","0.002","10.6346","0.001","19.7043","0.0018","90","","90","","90","","4367.8","0.7","120","2","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C50 H38 Co N2 O2 Se4 -","- C50 H38 Co N2 O2 Se4 -","- C200 H152 Co4 N8 O8 Se16 -","4","0.5","","Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit","Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","159","174","10.1039/d2dt02820d","","","0.71073","MoKα","","0.0561","0.0355","","","0.0777","0.0895","","","","","","1.116","","","","has coordinates","283225","2023-05-05","01:37:08",""
"7712149","31.0364","0.0017","14.37","0.0009","19.341","0.0012","90","","90","","90","","8626","0.9","153","2","153.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H40 B2 F8 N4 O4 Pd2 -","- C42 H40 B2 F8 N4 O4 Pd2 -","- C336 H320 B16 F64 N32 O32 Pd16 -","8","1","","Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1568","1573","10.1039/d2dt03521a","","x-ray","0.71075","MoKα","","0.1433","0.0743","","","0.2127","0.2496","","","","","","1.05","","","","has coordinates,has disorder","283295","2023-05-05","02:14:17",""
"7712369","14.946","0.004","15.76","0.004","19.285","0.005","90","","90","","90","","4543","2","245","2","245","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C34 H54 Cl8 In2 N8 O2 -","- C34 H54 Cl8 In2 N8 O2 -","- C136 H216 Cl32 In8 N32 O8 -","4","0.5","","Lara, Agustin; Martínez de Sarasa Buchaca, Marc; de la Cruz-Martínez, Felipe; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Tejeda, Juan; Rodríguez, Ana María; Castro-Osma, José Antonio","One-pot terpolymerization of CHO, CO2 and L-lactide using chloride indium catalysts","Dalton Transactions","2023","","","","","10.1039/D3DT00391D","","","0.71073","MoKα","","0.0758","0.0535","","","0.1275","0.1405","","","","","","1.055","","","","has coordinates","281088","2023-02-22","09:18:05",""
"7712395","24.2242","0.0005","14.3455","0.0003","11.8463","0.0002","90","","90","","90","","4116.69","0.14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C176 H192 N32 S16 -","16","2","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0477","0.0364","","","0.088","0.0945","","","","","","1.024","","","","has coordinates","281138","2023-02-25","08:36:22",""
"7712926","19.7329","0.0007","18.0795","0.0007","12.6323","0.0004","90","","90","","90","","4506.7","0.3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C21 H15 N6 O4 Re S -","- C21 H15 N6 O4 Re S -","- C168 H120 N48 O32 Re8 S8 -","8","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0733","0.0389","","","0.076","0.0911","","","","","","1.039","","","","has coordinates","282980","2023-05-04","05:23:23",""
"7712997","15.79","0.0009","15.8919","0.0008","6.266","0.0003","90","","90","","90","","1572.35","0.14","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H15 Br4 Cu3 N2 O2 -","- C6 H15 Br4 Cu3 N2 O2 -","- C24 H60 Br16 Cu12 N8 O8 -","4","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.0788","0.0332","","","0.0624","0.0768","","","","","","1.001","","","","has coordinates","283661","2023-05-10","22:44:59",""
"7713067","16.7113","0.0006","10.8251","0.0004","15.6437","0.0006","90","","90","","90","","2829.97","0.18","110","0.1","110","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0662","0.0396","","","0.0867","0.1016","","","","","","1.056","","","","has coordinates","283841","2023-05-17","23:06:09",""
"7713131","16.7113","0.0006","10.8251","0.0004","15.6437","0.0006","90","","90","","90","","2829.97","0.18","110","0.1","110","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0662","0.0396","","","0.0867","0.1016","","","","","","1.056","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713202","40.097","0.008","42.347","0.009","27.54","0.006","90","","90","","90","","46763","17","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C376 H394.942 Cl16 Co8 F1.46 N72 O54.09 P1.46 -","- C338.28 H258.94 Cl11.625 Co8 F1.462 N72 O16.106 P1.462 -","- C1353.12 H1035.76 Cl46.5 Co32 F5.848 N288 O64.424 P5.848 -","4","0.5","","Dorrat, Jack C.; Young, Rosemary J.; Taylor, Christopher; Tipping, Max B.; Blok, Andrew James; Turner, David Roger; McKay, Alasdair I.; Ovenden, Simon; Ward, Michael D.; Dennison, Genevieve Helen; Tuck, Kellie","The preservation of sarin and O,O’-diisopropyl fluorophosphate inside coordination cage hosts","Dalton Transactions","2023","","","","","10.1039/D3DT01378B","","","0.71073","Synchrotron","","0.1557","0.1337","","","0.4398","0.4733","","","","","","1.07","","","","has coordinates,has disorder","284076","2023-05-30","22:57:32",""
"7713780","67.4664","0.0011","17.1648","0.0004","32.7981","0.0002","90","","90","","90","","37981.7","1.1","100","0.11","100","0.11","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C162 H120 F24 Fe4 N36 O24 S8 -","- C162 H120 F18 Fe4 N36 O18 S6 -","- C1296 H960 F144 Fe32 N288 O144 S48 -","8","1","","Paschelke, Tobias; Trumpf, Eicke; Grantz, David; Pankau, Malte; Grocholski, Niclas; Näther, Christian; Sönnichsen, Frank D; McConnell, Anna J.","Tuning the spin-crossover properties of FeII4L<sub>6</sub> cages <i>via</i> the interplay of coordination motif and linker modifications.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01569f","","x-ray","1.54184","CuKα","","0.179","0.1603","","","0.4349","0.4511","","","","","","1.807","","","","has coordinates","285865","2023-08-24","22:57:37",""
"7713936","24.241","0.0003","21.6058","0.0003","15.7379","0.0002","90","","90","","90","","8242.67","0.19","100","0.1","100","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H46 Ag B F4 P2 Si2 -","- C42 H46 Ag B F4 P2 Si2 -","- C336 H368 Ag8 B8 F32 P16 Si16 -","8","1","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0384","0.0358","","","0.0983","0.1","","","","","","1.043","","","","has coordinates","286311","2023-09-12","22:59:49",""
"7714085","12.4421","0.0003","12.9696","0.0003","25.2174","0.0008","90","","90","","90","","4069.31","0.19","119.99","0.17","119.99","0.17","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate acetonitrile solvate","","- C40 H29 B2 F8 Fe N11 -","- C40 H29 B2 F8 Fe N11 -","- C160 H116 B8 F32 Fe4 N44 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","x-ray","1.54184","CuKα","","0.098","0.0768","","","0.2083","0.2281","","","","","","1.074","","","","has coordinates,has disorder","286630","2023-10-02","22:53:15",""
"7714088","12.3988","0.0005","12.9182","0.0004","25.284","0.0009","90","","90","","90","","4049.7","0.3","120","0.1","120","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate nitromethane (1/0.8) solvate","","- C38.8 H28.4 B2 F8 Fe N10.8 O1.6 -","- C38.8 H28.4 B2 F8 Fe N10.8 O1.6 -","- C155.2 H113.6 B8 F32 Fe4 N43.2 O6.4 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","x-ray","1.54184","CuKα","","0.0807","0.0594","","","0.1644","0.1826","","","","","","1.054","","","","has coordinates,has disorder","286630","2023-10-02","22:53:16",""
"7714167","25.2714","0.0001","21.698","0.0001","9.8415","0.0001","90","","90","","90","","5396.48","0.06","180","0.1","180","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28.5 H25 F3 I N O5 S -","- C26 H19 F3 I N O5 S -","- C208 H152 F24 I8 N8 O40 S8 -","8","1","","Dutton, Jason Laurence; _, Tania; Barwise, Lachlan; Bennetts, Jason; White, Keith Forrest; Sceney, Marcus","C-H, Si-H and C-F abstraction with an extremely electron poor I(III) reagent","Dalton Transactions","2023","","","","","10.1039/D3DT03266C","","x-ray","1.54184","CuKα","","0.0447","0.0437","","","0.1224","0.1235","","","","","","1.114","","","","has coordinates,has disorder","286857","2023-10-09","22:59:51",""
"7714797","12.1992","0.0015","12.3984","0.0018","21.399","0.003","90","","90","","90","","3236.6","0.8","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H56 Fe2 N12 -","- C24 H56 Fe2 N12 -","- C96 H224 Fe8 N48 -","4","0.5","","Soussi, Khaled; Jeanneau, Erwann; Maldivi, Pascale; Clémancey, Martin; Latour, Jean-Marc; Khrouz, Lhoussain; Lorentz, Chantal; Daniele, Stéphane; Mishra, Shashank","<i>N</i>-Alkyl substituted triazenide-bridged homoleptic iron(II) dimers with an exceptionally short Fe-Fe bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1439","1444","10.1039/d3dt03132b","","x-ray","0.71073","MoKα","","0.085","0.0644","","","0.1644","0.1903","","","","","","1.043","","","","has coordinates","289499","2024-02-04","11:55:51",""
"8000074","5.9686","0.0001","13.7161","0.0004","22.6208","0.0006","90","","90","","90","","1851.87","0.08","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H16 O2 S2 -","- C23 H16 O2 S2 -","- C92 H64 O8 S8 -","4","0.5","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0571","0.0433","","","0.1125","0.1212","","","","","","1.06","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8100056","27.927","0.011","7.208","0.003","21.083","0.008","90","","90","","90","","4244","3","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C46 H37 Ag Cl2 F4 N4 O4 -","- C46 H37 Ag Cl2 F4 N4 O4 -","- C184 H148 Ag4 Cl8 F16 N16 O16 -","4","0.5","","Ma, Ji-Long; Yang, Li; Chen, Bo; Zou, Ying; Meng, Fan-Jin; Zhu, Hai-Liang","Crystal structure of bis[N,N'-bis(2-fluorobenzylidene)ethylenediamine] silver(I) 4-chlorobenzoate 4-chlorobenzoic acid, Ag(C~16~H~14~N~2~F~2~) ~2~(C~14~H~9~O~2~Cl~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","161","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100446","17.73","0.007","7.162","0.003","15.891","0.007","90","","90","","90","","2017.7","1.4","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H13 Ag Cl N3 O4 -","- C4 H13 Ag Cl N3 O4 -","- C32 H104 Ag8 Cl8 N24 O32 -","8","1","","Zhu, Hai-Liang; Shao, Si-Chang; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin","Crystal structure of diethylenetriaminesilver(I) perchlorate, Ag(C~4~H~13~N~3~)(ClO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","499","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100458","12.7446","0.0015","16.974","0.002","10.218","0.0012","90","","90","","90","","2210.4","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","0.5","","Zhu, Hai-Liang; Zhang, Hong; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin","Crystal structure of bis(3,3'-diethyl-4-maleimido-phenyl)methane, C~25~H~22~N~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","515","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100478","13.575","0.004","20.603","0.006","8.026","0.003","90","","90","","90","","2244.8","1.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 N2 O8 V -","- C7 H9 N2 O8 V -","- C56 H72 N16 O64 V8 -","8","1","","Tinant, Bernard; Bayot, Daisy; Devillers, Michel","Crystal structure of ammonium oxo(peroxo)(pyridine-2,6-dicarboxylato- N,O,O')aquavanadate(V), (NH~4~)[VO(O~2~)(H~2~O)(C~7~H~3~NO~4~)]","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","477","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100611","25.957","0.002","15.199","0.001","6.7114","0.0006","90","","90","","90","","2647","1","93.2","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C38 H24 N4 O4 -","- C38 H24 N4 O4 -","- C152 H96 N16 O16 -","4","0.5","","Mizuguchi, Jin; Tojo, Kaoru","Crystal structure of N,N'-bis(2-(4-pyridyl)ethyl)perylene-3,4:9,10- bis(dicarboximide), C~38~H~24~N~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","247","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100627","8.863","0.001","18.63","0.001","20.837","0.001","90","","90","","90","","3440.6","0.5","218","2","218","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H26 Fe2 N4 S6 -","- C38 H26 Fe2 N4 S6 -","- C152 H104 Fe8 N16 S24 -","4","0.5","","Malaun, Michael; Bildstein, Benno; Wurst, Klaus","Crystal structure of 3,3'-dithio-bis(4-ferrocenylbenzo[4',5']-imidazolo [1,2-c]-thiazol-1-thione), C~38~H~26~Fe~2~N~4~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","269","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100941","35.194","0.004","8.343","0.001","9.259","0.001","90","","90","","90","","2718.7","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H22 Mn O7 -","- C10 H22 Mn O7 -","- C80 H176 Mn8 O56 -","8","1","","Zheng, Yue-Qing; Zhou, Su-Qin; Lin, Jian-Li","Crystal structure of triaquasebacatomanganese(II), Mn(H~2~O)~3~(C~10~H~16~O~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","265","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101130","6.597","0.004","28.831","0.005","16.617","0.003","90","","90","","90","","3161","1","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H44 N4 S4 Zn -","- C28 H44 N4 S4 Zn -","- C112 H176 N16 S16 Zn4 -","4","0.5","","Tiekink, E. R. T.","Crystal structure of 2,2'>-bipyridyl adduct of bis(dibutyldithiocarbamato) zinc(II), [Zn(S~2~CNBu~2~)~2~(bipy)]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","575","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101268","7.782","0.002","8.642","0.002","10.23","0.003","90","","90","","90","","688","0.3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C16 H40 N8 O16 -","4","0.5","","Marković, Zorica B.; Bogdanović, Goran A.; Spasojević-de Biré, Anne; Sabo, Tibor J.; Trifunovíc, Srecḱo R.","Crystal structure of ammonium iminodiacetate, NH~4~C~4~H~6~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","363","364","10.1515/ncrs-2000-0328","","","","","","","","","","","","","","","","","","","","","has coordinates","209512","2020-10-21","18:00:00",""
"8101555","11.9053","0.0008","19.348","0.001","7.4578","0.0005","90","","90","","90","","1717.9","0.2","296.2","","296.2","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H12 N4 O8 Zn -","- C10 H12 N4 O8 Zn0.5 -","- C40 H48 N16 O32 Zn2 -","4","0.5","","Xiong, Ren-Gen; Lewandowski, Brad J.; Huang, Songping D.","Crystal structure of diaqua-4,4'-bipyridinezinc nitrate Zn(4,4'-bipy) (H~2~O)~2~(NO~3~)~2~: a one-dimensional coordination polymer","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","461","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101758","8.1012","0.0009","21.113","0.002","14.014","0.002","90","","90","","90","","2397","0.5","273.2","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","cis-dichlorobis(5-methylisoxazole)platinum(II)","","- C8 H10 Cl2 N2 O2 Pt -","- C8 H10 Cl2 N2 O2 Pt -","- C64 H80 Cl16 N16 O16 Pt8 -","8","1","","E. Horn; A. Horiuchi; M. Yamanaka; M. Murakami; C. A. Horiuchi","Crystal structure of cis-dichlorobis(5-methyl-isoxazole)platinum(II), PtCl~2~(C~4~H~5~NO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","239","240","","","","0.7107","MoKα","","","0.0353","","","","0.0402","","","","","","0.079","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101795","13.8965","0.0018","19.237","0.002","22.753","0.003","90","","90","","90","","6082.5","1.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","diaqua(4,4'-bipyridine)(5-hydroxy-1,3-benzenedicarboxylato)cobalt(II) 4,4'-bipyridine dimethylsulfoxide solvate","","- C30 H30 Co N4 O8 S -","- C30 H30 Co N4 O8 S -","- C240 H240 Co8 N32 O64 S8 -","8","1","","He, H.-Y.; Zhou, Y.-L.; Zhu, L.-G.","Crystal structure of diaqua(4,4'-bipyridine)(5-hydroxy-1,3-benzenedicarboxylato) cobalt(II) 4,4'-bipyridine dimethylsulfoxide solvate, Co(H~2~O)~2~(C~10~H~8~N~2~)[C~6~H~3~OH(COO)~2~] · C~10~H~8~N~2~ · (CH~3~)~2~SO","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","445","447","","","","0.71073","MoKα","","0.1394","0.0782","","","0.1885","0.2195","","","","","","0.98","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101971","13.1274","0.0007","23.3094","0.0011","6.995","0.001","90","","90","","90","","2140.4","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","rel-(2R,3S)-2-bromomethyl-3-phenyl-3,4-dihydro-2H-pyrrole 1-oxide","","- C11 H12 Br N O -","- C11 H12 Br N O -","- C88 H96 Br8 N8 O8 -","8","1","","Frey, W.; Gulla, M.; Jäger, V.","Crystal structure of rel-(2R,3S)-2-bromomethyl-3-phenyl-3,4-dihydro- 2H-pyrrole 1-oxide, C~11~H~12~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","217","218","","","","1.54178","CuKα","","0.0759","0.0648","","","0.1896","0.2074","","","","","","1.171","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102306","11.7903","0.001","29.269","0.003","6.7927","0.0006","90","","90","","90","","2344.1","0.4","273","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H12 N4 O S -","- C10 H12 N4 O S -","- C80 H96 N32 O8 S8 -","8","1","","Qi-Chun Ding; Yu-Lin Huang; Miao-Chang Liu; Li-Xue Zhang; Chang-Feng Zhou; Xiao-Qing Cai","Crystal structure of 4-amino-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, C10H12N4OS","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","289","","","","","0.71073","MoKα","","0.0552","0.0508","","","0.1219","0.1243","","","","","","1.193","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102326","6.851","0.002","11.716","0.004","21.283","0.007","90","","90","","90","","1708.3","1","293.15","","293.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","diaqua-dichloro(1,10-phenanthroline)-chromium(iii) chloride dihydrate","","- C12 H16 Cl3 Cr N2 O4 -","- C12 H16 Cl3 Cr N2 O4 -","- C48 H64 Cl12 Cr4 N8 O16 -","4","0.5","","Yong-Li Yang; Feng-Ge Li; Qing-Juan Zhang; Yan-Feng Ding; Yu-Heng Deng","Crystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","409","","","","","0.7107","MoKα","","0.0439","0.0403","","","0.1339","0.1393","","","","","","1.043","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102646","9.9148","0.0009","10.0079","0.0009","22.546","0.002","90","","90","","90","","2237.2","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","tetraaqua (4,4'-bipyridine)-mononickel—2,3-naphthalenedicarboxylic acid(1:1), {[Ni(C~10~H~8~N~2~)(H~2~O)~4~].C~12~H~6~O~4~}~n~","","- C22 H22 N2 Ni O8 -","- C22 H22 N2 Ni O8 -","- C88 H88 N8 Ni4 O32 -","4","0.5","","Min Hu; Qiang Zhang","Crystal structure of tetraaqua-(4,4'-bipyridine-k2N,N')nickel(II) 2,3-naphthalenedicarboxylate, [Ni(H2O)4(C10H8N2)][C12H6O4]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","155","","","","","0.71073","MoKα","","0.0301","0.0249","","","0.0611","0.0647","","","","","","1.062","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102706","9.8228","0.0003","10.1176","0.0004","22.2471","0.0006","90","","90","","90","","2210.99","0.13","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","tetraaqua-(4,4'-bipyridine-<i>κ</i>^2^<i>N,N</i>')Copper(II) 2,3-naphthalenedicarboxylate, [Cu(H~2~O)~4~(C~10~H~8~N~2~)][C~12~H~6~O~4~]","","- C22 H22 Cu N2 O8 -","- C22 H22 Cu N2 O8 -","- C88 H88 Cu4 N8 O32 -","4","0.5","","Chun-Sen Liu; Min Hu","Crystal structure of tetraaqua(4,4'-bipyridine-k2N,N')copper(II) 2,3-naphthalenedicarboxylate, [Cu(H2O)4(C10H8N2)][C12H6O4]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","351","","","","","0.71073","MoKα","","0.0457","0.0277","","","0.0596","0.0618","","","","","","0.876","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102757","12.4931","0.001","40.201","0.003","8.487","0.007","90","","90","","90","","4262","4","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H26 O S2 -","- C24 H26 O S2 -","- C192 H208 O8 S16 -","8","1","","Xiaochuan Li; Zhengzheng Guo; Young-A Son; Jiange Wang; Sheng Wang","Crystal structure of (4-(3,4-bis(2,5-dimethylthiophen-3-yl)cyclopent-3-en-1-yl)phenyl) methanol, C24H26OS2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","495","","","","","0.71073","MoKα","","0.1009","0.0692","","","0.1848","0.2081","","","","","","1.039","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8102838","18.0648","0.0007","7.2166","0.0002","15.2813","0.0004","90","","90","","90","","1992.17","0.11","273","2","273","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Triaqua(5-hydroxyisophthalato)iron(II) Fe(C~8~H~4~O~5~)(H~2~O)~3~","","- C8 H10 Fe O8 -","- C8 H10 Fe O8 -","- C64 H80 Fe8 O64 -","8","1","","Guang Fan; Zu-Pei Yang","Crystal structure of triaqua(5-hydroxyisophthalato)iron(II), Fe(H2O)3(C8H4O5)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","641","","","","","0.71073","MoKα","","0.037","0.0295","","","0.0794","0.0822","","","","","","1.082","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103278","23.109","0.006","15.246","0.004","17.005","0.004","90","","90","","90","","5991","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Iodo-bis(1,10-phenanthroline)-copper(II) iodo-(<i>μ</i>~2~-iodo)-copper(I) hemi-octasulfur","","- C24 H16 Cu2 I3 N4 S4 -","- C24 H16 Cu2 I3 N4 S4 -","- C192 H128 Cu16 I24 N32 S32 -","8","1","","Le-Qing Fan","Crystal structure of iodobis(1,10-phenanthroline-k2N,N')copper(II) iodo(m2-iodo)copper(I) — octasulfur (2:1), [CuI(C12N2H8)2]2[Cu2I4] · S8","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","79","","","","","0.71073","MoKα","","0.085","0.0772","","","0.218","0.2322","","","","","","1.069","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103346","21.659","0.0004","11.0123","0.0003","16.923","0.0006","90","","90","","90","","4036.4","0.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Cu N4 O7 -","- C18 H20 Cu N4 O7 -","- C144 H160 Cu8 N32 O56 -","8","1","","Daocheng Xia; Jingxia Ma; Xiuying Ma; Jihuan Yao; Xuqing Yang; Qingyang Liu","Crystal structure of catena-aqua(m-bis(2-(1-imidazolyl)ethyl)ether-N:N')(m-5-hydroxybenzene-1,3- dicarboxylato-O:O')copper(II), Cu(C8O5H4)(C10H14ON4)(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","241","","","","","0.71073","MoKα","","0.0785","0.0299","","","0.0478","0.0509","","","","","","0.719","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103370","13.4045","0.0014","20.349","0.002","12.0946","0.0013","90","","90","","90","","3299","0.6","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H17 Fe N3 -","- C20 H17 Fe N3 -","- C160 H136 Fe8 N24 -","8","1","","Su-Zhen Bai; Xin-Hua Lou; Lu-Meng Duan; Zhen Li","Crystal structure of N-(6-ferrocenylpyrimidin-4-yl)phenylamine, Fe(C5H5)(C15H12N3)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","179","","","","","0.71073","MoKα","","0.072","0.0413","","","0.0931","0.11","","","","","","1.033","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8104765","17.7949","0.0019","9.3979","0.001","15.3455","0.0016","90","","90","","90","","2566.3","0.5","296","2","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","3,3'-((carbonylbis(azanediyl))bis(ethane-2,1-diyl))bis(1- methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate","","- C21 H28 B2 F8 N6 O2 -","- C21 H28 B2 F8 N6 O2 -","- C84 H112 B8 F32 N24 O8 -","4","0.5","","Dong, Zhi-Yun; Xi, Fu-Gui; Xu, Xing-Yu","The crystal structure of 3,3′-((carbonylbis(azanediyl))bis(ethane-2,1-diyl)) bis(1-methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate, C21H28N6O3B2F8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","553","555","10.1515/ncrs-2020-0646","","","0.71073","MoKα","","0.1014","0.0567","","","0.1515","0.1846","","","","","","1.028","","","","has coordinates","273725","2022-03-16","09:30:47",""
"8104801","11.72","0.002","14","0.003","16.971","0.003","90","","90","","90","","2784.6","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd N2 O8 -","- C30 H24 Cd N2 O8 -","- C120 H96 Cd4 N8 O32 -","4","0.5","","Yang, Bin; Wang, Ai; Wang, Yan","Crystal structure of poly[aqua-(μ2-1,4-bis(2′-carboxylatophenoxy)benzene-κ2 O:O′)-(μ2-4,4′-bipyridione-κ2 N:N′)cadmium(II)] monhydrate, C30H22CdN2O7⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","685","687","10.1515/ncrs-2021-0036","","","0.71073","MoKα","","0.0701","0.0544","","","0.1506","0.1664","","","","","","1.074","","","","has coordinates","273801","2022-03-18","10:02:43",""
"8105127","14.1361","0.001","15.8923","0.0012","6.641","0.0006","90","","90","","90","","1491.9","0.2","150","2","149.99","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Zhu, Yuanliang; Ma, Jingwei; Li, Shaofeng; Cai, Bin","The crystal structure of 3-carboxy-5-methylpyridin-1-ium-2-carboxylate, C8H7NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","419","420","10.1515/ncrs-2019-0722","","","0.71073","MoKα","","0.0544","0.0406","","","0.1049","0.1155","","","","","","1.025","","","","has coordinates","274870","2022-05-04","07:34:03",""
"8105218","7.465","0.0002","10.6954","0.0002","22.7513","0.0005","90","","90","","90","","1816.49","0.07","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 F4 N2 Ni O6 -","- C18 H12 F4 N2 Ni O6 -","- C72 H48 F16 N8 Ni4 O24 -","4","0.5","","Li, Yan-Hong; Han, Min-Le","Crystal structure of poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)-(μ2-3,4,5,6-tetrafluorophthalato-κ2 O:O′)nickel(II)], C18H12F4NiN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","563","564","10.1515/ncrs-2019-0808","","x-ray","1.54184","CuKα","","0.0337","0.0304","","","0.0867","0.0898","","","","","","1.052","","","","has coordinates","275331","2022-05-11","08:26:36",""
"8105260","19.08967","0.00006","15.87805","0.00005","15.13748","0.00005","90","","90","","90","","4588.27","0.03","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Cl4 N2 Sn -","- C24 H16 Cl4 N2 Sn -","- C192 H128 Cl32 N16 Sn8 -","8","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichloridobis(4-chlorophenyl-κC 1)(1,10-phenanthroline-κ2 N,N′)tin(IV), C24H16Cl4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","695","697","10.1515/ncrs-2019-0903","","","1.54184","CuKα","","0.0174","0.0173","","","0.0473","0.0474","","","","","","0.971","","","","has coordinates","275438","2022-05-16","07:32:45",""
"8105761","14.1678","0.0016","14.3469","0.0018","19.335","0.002","90","","90","","90","","3930.1","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H22 Mn N2 O6 -","- C20 H22 Mn N2 O6 -","- C160 H176 Mn8 N16 O48 -","8","1","","Cuihong, Zhang; Xiaohu, Wei; Liguo, Yang; Zhenzhen, He; Xin, Li; Zongcheng, Miao","Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3 O,N,O′)manganes(IV), C20H22N2O6Mn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","503","504","10.1515/ncrs-2018-0495","","","0.71073","MoKα","","0.057","0.0504","","","0.137","0.1441","","","","","","1.163","","","","has coordinates","277798","2022-09-13","08:45:02",""
"8105870","8.7989","0.0003","10.4284","0.0003","23.6873","0.0006","90","","90","","90","","2173.51","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H7 Cu O5 -","- C11 H7 Cu O5 -","- C88 H56 Cu8 O40 -","8","1","","Li, Wenjun; Mai, Si Lang Jiu","Crystal structure of poly[diaqua-(μ8-1,1′:2′,1′′-terphenyl-3,3′′,4′,5′-tetracarboxylato-κ8 O 1:O 2:O 3:O 4:O 5:O 6:O 7:O 8)dicopper(II)], C22H14Cu2O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","849","850","10.1515/ncrs-2019-0004","","","0.71073","MoKα","","0.058","0.0398","","","0.0878","0.0969","","","","","","1.059","","","","has coordinates","278180","2022-09-26","15:34:33",""
"8106045","15.4426","0.0011","17.4623","0.0013","25.9153","0.0019","90","","90","","90","","6988.4","0.9","291","2","291","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","25,27-(2,2'-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate) -26,28-dihydroxycalix[4]arene dichloromethane solvate","","- C36 H32 Cl2 O4 S5 -","- C36 H32 Cl2 O4 S5 -","- C288 H256 Cl16 O32 S40 -","8","1","","Liu, Lian-Wei; Zhong, Ji-Yan; Zhao, Bang-Tun","The crystal structure of 25,27-(2,2′-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate)-26,28-dihydroxycalix[4]arene — dichloromethane (1/1), C36H32Cl2O4S5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","67","68","10.1515/ncrs-2017-0154","","","0.71073","MoKα","","0.0949","0.059","","","0.1641","0.1958","","","","","","1.018","","","","has coordinates","279183","2022-11-10","08:41:32",""
"8106276","9.8955","0.0006","11.0163","0.0006","19.9752","0.0014","90","","90","","90","","2177.5","0.2","123","2","123","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","","Bao-Xi, Miao; Hao, Sun; Zhong-Hai, Ni","Crystal structure of 1,1-di(4-cyanophenyl)-2,2-diphenylethene, C28H18N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","727","729","10.1515/ncrs-2018-0076","","","0.71073","MoKα","","0.0482","0.0402","","","0.0968","0.1012","","","","","","1.052","","","","has coordinates","279597","2022-11-28","09:55:14",""
"8106375","15.114","0.002","17.574","0.003","14.123","0.002","90","","90","","90","","3751.3","1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C160 H168 N8 O40 -","8","1","","Yan, Gao","Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C20H21NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","997","998","10.1515/ncrs-2018-0106","","","0.71073","MoKα","","0.1095","0.0626","","","0.1911","0.213","","","","","","1.066","","","","has coordinates","279821","2022-12-09","08:33:32",""
"8106792","11.884","0.002","11.902","0.002","10.509","0.002","90","","90","","90","","1486.4","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H6 Cl4 O3 -","- C14 H6 Cl4 O3 -","- C56 H24 Cl16 O12 -","4","0.5","","Qu, Hai-Tao; Fu, Ying; Ye, Fei","Crystal structure of 2,4-dichlorobenzene anhydride, C14H6Cl4O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","85","86","10.1515/ncrs-2015-0036","","","0.71073","MoKα","","0.0542","0.044","","","0.1047","0.1106","","","","","","1.096","","","","has coordinates","281206","2023-03-01","09:24:40",""
"8106897","14.201","0.0008","24.4565","0.0015","7.8551","0.0005","90","","90","","90","","2728.1","0.3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Cl2 O7 -","- C26 H36 Cl2 O7 -","- C104 H144 Cl8 O28 -","4","0.5","","Yuan, Lin; Zhang, Xing-Yu; Yuan, Xian-You","Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","429","430","10.1515/ncrs-2015-0109","","","0.71073","MoKα","","0.0561","0.0434","","","0.1164","0.1291","","","","","","1.067","","","","has coordinates","281770","2023-03-09","10:16:36",""
"8107163","9.9071","0.0014","11.195","0.0019","13.315","0.002","90","","90","","90","","1476.8","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","1","","Ma, Hang; Tian, Qiang; Wan, Banglong","The crystal structure of 1H-benzimidazole-2-carboxamide, C8H7N3O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","599","600","10.1515/ncrs-2022-0159","","x-ray","1.34139","Synchrotron","GaKα","0.0425","0.0356","","","0.1007","0.1034","","","","","","1.034","","","","has coordinates","283646","2023-05-10","07:23:38",""
"9000012","4.92","","12.46","","5.42","","90","","90","","90","","332.263","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Buerger, M. J.","The crystal structure of valentinite","American Mineralogist","1936","21","","206","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9007587","4.911","","12.464","","5.412","","90","","90","","90","","331.272","","","","","","","","","","","","Synthetic","2","P c c n","-P 2ab 2ac","56","","","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Svensson, C.","The crystal structure of orthorhombic antimony trioxide, Sb2O3","Acta Crystallographica, Section B","1974","30","","458","461","10.1107/S0567740874002986","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007767","12.184","","12.267","","17.22","","90","","90","","90","","2573.72","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 Co4 O16 Pb -","- C16 Co4 O16 Pb -","- C64 Co16 O64 Pb4 -","4","0.5","","Leigh, J. S.; Whitmire, K. H.","The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4]","Acta Crystallographica, Section C","1990","46","","732","736","10.1107/S0108270189006025","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008062","4.92","","12.46","","5.42","","90","","90","","90","","332.263","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Buerger, M. J.; Hendricks, S. B.","The Crystal Structure of Valentinite (Orthorhombic Sb~2~O~3~)","Zeitschrift f""ur Kristallographie - Crystalline Materials","1938","98","1-6","1","30","10.1524/zkri.1938.98.1.1","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009534","8.38","","13.82","","5.006","","90","","90","","90","","579.753","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","Calciborite","- B2 Ca O4 -","- B2 Ca O4 -","- B16 Ca8 O32 -","8","1","","Shashkin, D. N.; Simonov, M. A.; Belov, N. V.","Crystal structure of calciborite CaB2O4=Ca2[BO3BO]2","Doklady Akademii Nauk SSSR","1970","195","","345","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009605","7.255","","10.709","","8.746","","90","","90","","90","","679.51","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","Teschemacherite","- C H5 N O3 -","- C H5 N O3 -","- C8 H40 N8 O24 -","8","1","","Pertlik, F.","Verfeinerung der kristallstruktur des teschemacherits, (NH4)CO2(OH)","Tschermaks Mineralogische und Petrographische Mitteilungen","1981","29","","67","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009748","4.8996","","12.449","","5.4103","","90","","90","","90","","330.002","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C.","Charge density analysis of two polymorphs of antimony(III) oxide","Dalton Transactions","2004","2004","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010191","19.352","","10.166","","8.697","","90","","90","","90","","1710.98","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- As4 S4.93 -","- As4 S4.93 -","- As32 S39.44 -","8","1","","Bindi, L.; Bonazzi, P.","Light-induced alteration of arsenic sulfides: A new product having an orthorhombic crystal structure","American Mineralogist","2007","92","","617","620","10.2138/am.2007.2332","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011522","29.029","","8.595","","5.209","","90","","90","","90","","1299.67","","","","","","","","","","","","Kukisvumtschorr deposit, Khibiny alkaline massif, Kola peninsula, Russia","6","P c c n","-P 2ab 2ac","56","","","Kukisvumite","- H4 Na3 O16 Si4 Ti2 Zn0.5 -","- H4 Na3 O16 Si4 Ti2 Zn0.5 -","- H16 Na12 O64 Si16 Ti8 Zn2 -","4","0.5","","Merlino, S.; Pasero, M.; Ferro, O.","The crystal structure of kukisvumite, Na6ZnTi4(Si2O6)4O4*4H2O Locality: Kukisvumtschorr deposit, Khibiny alkaline massif, Kola peninsula, Russia","Zeitschrift fur Kristallographie","2000","215","","352","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011798","10.251","","15.223","","7.666","","90","","90","","90","","1196.29","","","","","","","","","","","","Tolbachik Main Fracture Eruption, Kamchatka, Russia","4","P c c n","-P 2ab 2ac","56","","","Sophiite","- Cl2 O3 Se Zn2 -","- Cl2 O3 Se Zn2 -","- Cl16 O24 Se8 Zn16 -","8","1","","Semenova, T. F.; Rozhdestvenskaya, I. V.; Filatov, S. K.; Vergasova, L. P.","Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new mineral Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia Note: y(Zn2) corrected","Mineralogical Magazine","1992","56","","241","245","10.1180/minmag.1992.056.383.11","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012504","8.984","","9.58","","17","","90","","90","","90","","1463.13","","","","","","","","","","","","Synthetic","4","P c c n","-P 2ab 2ac","56","","","Lanthanite-(La)","- C3 H16 La2 O17 -","- C3 H16 La2 O17 -","- C12 H64 La8 O68 -","4","0.5","","Shinn, D. B.; Eick, H. A.","The crystal structure of lanthanum carbonate octahydrate","Inorganic Chemistry","1968","7","","1340","1345","10.1021/ic50065a018","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9014092","16.3357","","24.2434","","11.7343","","90","","90","","90","","4647.17","","","","","","","","","","","","La Sal Mining District, Utah, USA","5","P c c n","-P 2ab 2ac","56","","","Postite","- Al2 H56 Mg O57 V10 -","- Al2 H56 Mg O57 V10 -","- Al8 H224 Mg4 O228 V40 -","4","0.5","","Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.","Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy","The Canadian Mineralogist","2012","50","","45","53","10.3749/canmin.50.1.45","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015960","8.9391","","9.4694","","16.9374","","90","","90","","90","","1433.72","","","","","","","","","","","","Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan","10","P c c n","-P 2ab 2ac","56","","","Lanthanite-(Nd)","- C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 -","- C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 -","- C12 H64 Eu0.12 Gd0.32 La2.44 Nd3.8 O68 Pr0.68 Sm0.48 Y0.16 -","4","0.5","","Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T.","Lanthanite-(Nd), Nd2(CO3)3*8H2O","Acta Crystallographica, Section E","2013","69","","i15","i16","10.1107/S1600536813003164","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""