# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T12:52:02+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21 21 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000135","7.655","0.001","10.313","0.001","10.255","0.001","90","","90","","90","","809.6","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Pentastrontium trizirconium fluoride","","- F22 Sr5 Zr3 -","- F22 Sr5 Zr3 -","- F44 Sr10 Zr6 -","2","0.5","","Le Bail, A","Structure of Sr5 Zr3 F22 determined from an inversion twinned crystal","European Journal of Solid State Inorganic Chemistry","1996","33","","1211","1222","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001698","19.80499","0.001","14.3859","0.0007","5.396","0.0004","90","","90","","90","","1537.4","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Sodium niobium phosphorus oxide (2.7/6/4/26)","","- Na2.667 Nb6 O26 P4 -","- Na2.66667 Nb6 O26 P4 -","- Na8 Nb18 O78 P12 -","3","0.75","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3 member of the MPTBp family","Journal of Solid State Chemistry","1991","95","","245","252","10.1016/0022-4596(91)90101-M","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004093","19.469","0.004","12.53","0.004","12.07","0.004","90","","90","","90","","2944.4","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ammonium hexaperthiodimolybdate(V)","","- H8 Mo2 N2 S12 -","- H8 Mo2 N2 S12 -","- H48 Mo12 N12 S72 -","6","1.5","","Wignacourt, J P; Drache, M; Swinnea, J S; Steinfink, H; Lorriaux-Rubbens, A; Wallart, F","Crystal structure and Raman Scattering Investigation of Anhydrous (NH~4~)~2~(Mo~2~(S~2~)~6~)","Canadian Journal of Appl. Spectrosc.","1992","37","2","49","54","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008454","12.821","","12.537","0.006","7.029","0.002","90","","90","","90","","1129.8","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Dicalcium diammonium cyclo-hexaphosphate hexahydrate","","- Ca2 H20 N2 O24 P6 -","- Ca2 H20 N2 O24 P6 -","- Ca4 H40 N4 O48 P12 -","2","0.5","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-Hexaphosphates. XII. Structure of Ammonium Calcium cyclo-Hexaphosphate Hexahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2005","2007","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1010269","8.32","","9.64","","4.82","","90","","90","","90","","386.6","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","18","","Barium trio-trisulfide","","- Ba S3 -","- Ba S3 -","- Ba4 S12 -","4","1","","Miller, W S; King, A J","The Structure of Polysulfides: I. Barium Trisulfide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","439","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011115","8.04","","10.27","","3.82","","90","","90","","90","","315.4","","","","","","","","","","","","synthetic","4","P 21 21 2","P 2 2ab","18","","Ammonium oxalate monohydrate","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Hendriks, S B; Jefferson, M E","Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group","Journal of Chemical Physics","1936","4","","102","107","10.1063/1.1749795","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1100052","15.3706","0.0002","8.9921","0.0001","5.9191","0.0001","90","","90","","90","","818.11","0.02","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Strontium Gallium Boron Oxide (1/1/1/4)","","- B Ga O4 Sr -","- B Ga O4 Sr -","- B8 Ga8 O32 Sr8 -","8","2","","Yang, Z; Liang, J; Chen, X; Chen, J","Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data","Journal of Solid State Chemistry","2002","165","","119","124","10.1006/jssc.2001.9509","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100402","22.789","","8.161","","9.039","","90","","90","","90","","1681.08","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H57 B F4 N2 -","- C77 H85 B F12 N4 -","- C154 H170 B2 F24 N8 -","2","0.5","","Reichardt, Christian; Budnik, Ulrich; Harms, Klaus; Schäfer, Gerhard; Stein, Jörg","Chiral polymethine dyes, V. syntheses, absolute configuration, spectroscopic, and chiroptical properties of chiral dinuclear tri- and pentamethinium as well as trinuclear [2.2.2]heptamethinediium cyanine dyes with 3-sec-butyl-1,3-dimethylindolyl end groups","Liebigs Annalen","1995","1995","2","329","340","10.1002/jlac.199519950241","","","","","","","","","","","","","","","","","","","","","has coordinates","177965","2020-10-21","18:00:00",""
"1100443","14.488","0.001","16.101","0.001","5.608","0.001","90","","90","","90","","1308.19","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","- C96 H160 N16 O32 -","4","1","","Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","An Intramolecular 1,3-Dipolar Cycloaddition Involving One Alkyne and Two Nitrone Groups","Liebigs Annalen/Recueil","1997","1997","3","469","471","10.1002/jlac.199719970306","","","","","","","","","","","","","","","","","","","","","has coordinates","177968","2020-10-21","18:00:00",""
"1100465","11.129","0.001","19.133","0.002","10.41","0.001","90","","90","","90","","2216.61","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H72 N4 P4 Zn4 -","- C56 H144 N8 P8 Zn8 -","- C112 H288 N16 P16 Zn16 -","2","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100633","12.061","0.001","14.753","0.001","5.643","0.001","90","","90","","90","","1004.09","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","","Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner","Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones","Tetrahedron","1998","54","13","3181","3196","10.1016/s0040-4020(98)00064-7","","","","","","","","","","","","","","","","","","","","","has coordinates","178051","2020-10-21","18:00:00",""
"1100656","10.104","0.002","32.447","0.001","6.014","0.001","90","","90","","90","","1971.7","0.5","123.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O S -","- C10 H11 N O S -","- C80 H88 N8 O8 S8 -","8","2","","Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki","Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x15","x16","10.2116/analscix.19.x15","","","0.7107","MoKα","","","0.0268","","","","0.0398","","","","","","1.115","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100754","15.917","0.003","17.412","0.003","4.9587","0.001","90","","90","","90","","1374.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H11 Au N2 -","- C18 H11 Au N2 -","- C72 H44 Au4 N8 -","4","1","","James D. Crowley; Ian M. Steele; B. Bosnich","Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation","Inorganic Chemistry","2005","44","","2989","2991","10.1021/ic0481531","","","0.71073","MoKα","","0.0358","0.0331","","","0.078","0.0787","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501832","24.5968","0.0006","10.0636","0.0002","14.663","0.0004","90","","90","","90","","3629.57","0.15","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C35 H54 N O14.5 -","- C35 H45 N O14.5 -","- C140 H180 N4 O58 -","4","1","","Rateb, Mostafa E.; Houssen, Wael E.; Arnold, Markus; Abdelrahman, Mostafa H.; Deng, Hai; Harrison, William T. A.; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Ferguson, Gail; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel","Chaxamycins A-D, bioactive ansamycins from a hyper-arid desert Streptomyces sp.","Journal of natural products","2011","74","6","1491","1499","10.1021/np200320u","","","0.71073","MoKα","","0.2172","0.1986","","","0.3998","0.4102","","","","","","1.165","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502162","32.487","0.003","7.6214","0.0008","10.9285","0.0011","90","","90","","90","","2705.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C56 H84 N4 O20 -","- C56 H80.02 N4 O20 -","- C112 H160.04 N8 O40 -","2","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0849","0.0532","","","0.1053","0.1295","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502798","11.1485","0.0015","21.716","0.003","7.59","0.0011","90","","90","","90","","1837.5","0.4","299","2","299","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.0541","0.0417","","","0.1008","0.1072","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502826","21.962","0.003","7.6252","0.0011","15.114","0.002","90","","90","","90","","2531.1","0.6","273","2","273","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26 H40 O6 -","- C26 H40 O6 -","- C104 H160 O24 -","4","1","","Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping","ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2010","73","1","17","21","10.1021/np9005579","","","0.71073","MoKα","","0.0598","0.0493","","","0.1278","0.1361","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503089","21.4551","0.0014","28.4412","0.0019","8.9866","0.0006","90","","90","","90","","5483.7","0.6","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C95 H139 Cl9 N16 O22 -","- C95 H139 Cl9 N16 O22 -","- C190 H278 Cl18 N32 O44 -","2","0.5","","Fernandes, Carlos; Faure, Sophie; Pereira, Elisabeth; Théry, Vincent; Declerck, Valérie; Guillot, Régis; Aitken, David J.","12-Helix folding of cyclobutane beta-amino acid oligomers.","Organic letters","2010","12","16","3606","3609","10.1021/ol101267u","","x-ray","0.71073","MoKα","","0.0789","0.0637","","","0.1682","0.1808","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503298","19.902","0.002","24.903","0.003","6.7798","0.0008","90","","90","","90","","3360.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H25 O3.5 Si -","- C17 H25 O3.5 Si -","- C136 H200 O28 Si8 -","8","2","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.0806","0.0652","","","0.104","0.1155","","","","","","1.114","","","","has coordinates","218626","2020-10-21","18:00:00",""
"1503419","24.0276","0.0008","15.7652","0.0005","6.8485","0.0003","90","","90","","90","","2594.21","0.16","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H46 O2 Si -","- C26 H46 O2 Si -","- C104 H184 O8 Si4 -","4","1","","Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas","Enantiospecific synthesis of the cubitane skeleton.","Organic letters","2010","12","4","784","787","10.1021/ol902854t","","","1.54184","CuKα","","0.0393","0.0364","","","0.0958","0.0976","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503623","13.7792","0.0017","39.505","0.005","6.2897","0.0008","90","","90","","90","","3423.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin A","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","2","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.1445","0.0728","","","0.1814","0.2212","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503624","8.1441","0.0006","28.387","0.002","7.2652","0.0006","90","","90","","90","","1679.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin D","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.089","0.0461","","","0.0975","0.1171","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503941","14.085","0.002","14.146","0.002","19.443","0.003","90","","90","","90","","3873.9","1","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C77 H42 Cl4 F24 O4 P4 Rh2 -","- C77 H42 Cl4 F24 O4 P4 Rh2 -","- C154 H84 Cl8 F48 O8 P8 Rh4 -","2","0.5","","Korenaga, Toshinobu; Osaki, Kazutaka; Maenishi, Ryota; Sakai, Takashi","Electron-poor chiral diphosphine ligands: high performance for Rh-catalyzed asymmetric 1,4-addition of arylboronic acids at room temperature.","Organic letters","2009","11","11","2325","2328","10.1021/ol900719z","","","0.71073","MoKα","","0.1159","0.0781","","","0.1951","0.211","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504226","12.1704","0.0003","17.3626","0.0003","7.5061","0.0008","90","","90","","90","","1586.11","0.18","150","1","150","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0692","0.0433","","","0.0928","0.1072","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504292","36.79","0.006","10.2861","0.0014","10.833","0.002","90","","90","","90","","4099.5","1.2","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C176 H200 N8 O32 S8 -","8","2","","Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio","Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes.","Organic letters","2009","11","24","5642","5645","10.1021/ol902326s","","","0.71075","MoKα","","0.0525","0.0465","","","0.0952","0.0998","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504424","21.9306","0.001","22.6595","0.0011","8.9104","0.0004","90","","90","","90","","4427.9","0.4","293","2","293","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","(dppe)Pt[N(SO2-p-MeC6H4)C(H)(Ph)C(H)(Ph)O]","","","- C48 H45 Cl2 N O3 P2 Pt S -","- C48 H45 Cl2 N O3 P2 Pt S -","- C192 H180 Cl8 N4 O12 P8 Pt4 S4 -","4","1","","Peng, Ya-Liu; Lai, Shu-Ling; Lin, Chu-Chieh","Preparation of Polypeptide via Living Polymerization ofZ-Lys-NCA Initiated by Platinum Complexes","Macromolecules","2008","41","10","3455","","10.1021/ma7025836","","","0.71073","MoKα","","0.0319","0.0277","","","0.0828","0.0872","","","","","","0.706","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504425","21.9559","0.0013","22.58","0.0014","8.891","0.0005","90","","90","","90","","4407.8","0.5","293","2","293","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","(dppe)Pt[N(SO2-4-CH3C6H4)C(H)(Ph)C(H)(Ph)NH]","","","- C48 H46 Cl2 N2 O2 P2 Pt S -","- C48 H46 Cl2 N2 O2 P2 Pt S -","- C192 H184 Cl8 N8 O8 P8 Pt4 S4 -","4","1","","Peng, Ya-Liu; Lai, Shu-Ling; Lin, Chu-Chieh","Preparation of Polypeptide via Living Polymerization ofZ-Lys-NCA Initiated by Platinum Complexes","Macromolecules","2008","41","10","3455","","10.1021/ma7025836","","","0.71073","MoKα","","0.0437","0.0424","","","0.1319","0.1329","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504465","16.4914","0.0018","19.995","0.004","6.399","0.0013","90","","90","","90","","2110","0.6","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C23 H36 O3 -","- C23 H36 O3 -","- C92 H144 O12 -","4","1","","Liermann, Johannes C.; Kolshorn, Heinz; Anke, Heidrun; Thines, Eckhard; Opatz, Till","Tetracyclic terpenoids from Dasyscyphus niveus, dasyscyphins D and E.","Journal of natural products","2008","71","9","1654","1656","10.1021/np800355a","","","1.54178","CuKα","","0.1797","0.0978","","","0.2617","0.3326","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504528","19.1489","0.0017","22.7405","0.0019","7.644","0.0005","90","","90","","90","","3328.6","0.5","120","2","120","2","","","","","","","Pedro Cintas","4","P 21 21 2","P 2 2ab","18","","","","- C34 H31 N3 O9 -","- C34 H31 N3 O9 -","- C136 H124 N12 O36 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Stepwise cycloadditions of mesoionic systems: thionation of thioisomünchnones by isothiocyanates.","Organic letters","2008","10","6","1079","1082","10.1021/ol702929k","","","0.71073","MoKα","","0.1431","0.0748","","","0.1608","0.1878","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504696","11.6237","0.0007","13.4355","0.0008","15.9209","0.001","90","","90","","90","","2486.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C39 H60 Cl6 F2 N10 O6 -","- C39 H60 Cl6 F2 N10 O6 -","- C78 H120 Cl12 F4 N20 O12 -","2","0.5","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","Cyclophane capsule motifs with side pockets.","Organic letters","2008","10","13","2677","2680","10.1021/ol800762j","","","0.71073","MoKα","","0.0815","0.075","","","0.1927","0.1981","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504742","20.4237","0.0014","20.3095","0.001","8.6895","0.0003","90","","90","","90","","3604.4","0.3","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H24 Br N O S -","- C17 H24 Br N O S -","- C136 H192 Br8 N8 O8 S8 -","8","2","","Reddy, Leleti Rajender; Hu, Bin; Prashad, Mahavir; Prasad, Kapa","Asymmetric synthesis of homoallylic amines bearing adjacent stereogenic centers by addition of substituted allylic zinc reagents to N-tert-butanesulfinylimines.","Organic letters","2008","10","14","3109","3112","10.1021/ol800998u","","","0.71073","MO-Kα","","0.079","0.046","","","0.087","0.099","","","","","","1.033","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1504775","22.937","0.005","7.0286","0.0014","10.134","0.002","90","","90","","90","","1633.8","0.6","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","1-(1,3-dioxoisoindolin-2-yl)-4-phenylcyclohex-3-enecarbaldehyde","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Ishihara, Kazuaki; Nakano, Kazuhiko; Akakura, Matsujiro","Organocatalytic enantioselective Diels-Alder reaction of dienes with alpha-(N,N-Diacylamino)acroleins.","Organic letters","2008","10","13","2893","2896","10.1021/ol8011277","","","0.71073","MoKα","","0.0558","0.0488","","","0.1273","0.1338","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504833","23.871","0.002","10.0306","0.0009","10.6407","0.0009","90","","90","","90","","2547.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N3 O5 -","- C26 H33 N3 O5 -","- C104 H132 N12 O20 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","2D layered supramolecular host system derived from a 21-helical column, composed of 1,2-diphenylethylenediamine and N-phenyliminodiacetic acid.","Organic letters","2008","10","17","3821","3824","10.1021/ol801374g","","","0.71073","MoKα","","0.0869","0.0749","","","0.1533","0.1584","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504863","5.9307","0.0012","26.138","0.006","3.9251","0.0008","90","","90","","90","","608.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H8 Br2 O2 -","- C14 H8 Br2 O2 -","- C28 H16 Br4 O4 -","2","0.5","","Kawasaki, Tsuneomi; Harada, Yuuki; Suzuki, Kenta; Tobita, Takayuki; Florini, Nicola; Pályi, Gyula; Soai, Kenso","Enantioselective synthesis utilizing enantiomorphous organic crystal of achiral benzils as a source of chirality in asymmetric autocatalysis.","Organic letters","2008","10","18","4085","4088","10.1021/ol801600y","","","0.71073","MoKα","","0.0526","0.0495","","","0.1377","0.1388","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504940","11.885","0.009","20.252","0.006","10.995","0.005","90","","90","","90","","2646","2","296.2","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H21 N5 O3 -","- C25 H20 N5 O5.5 -","- C100 H80 N20 O22 -","4","1","","Koyama, Nobuhiro; Inoue, Yusuke; Sekine, Masae; Hayakawa, Yoichi; Homma, Hiroshi; Omura, Satoshi; Tomoda, Hiroshi","Relative and absolute stereochemistry of quinadoline B, an inhibitor of lipid droplet synthesis in macrophages.","Organic letters","2008","10","22","5273","5276","10.1021/ol802089p","","","1.5418","CuKα","","","0.0962","","","","0.1456","","","","","","1.546","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505306","8.1273","0.0005","28.154","0.002","6.078","0.0004","90","","90","","90","","1390.74","0.16","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H24 O5 -","- C13 H24 O5 -","- C52 H96 O20 -","4","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0344","0.0336","","","0.0845","0.085","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505468","13.871","0.006","13.979","0.005","17.52","0.006","90","","90","","90","","3397","2","200.2","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C21 H16 Ag B F4 N4 -","- C21 H16 Ag B F2 N4 -","- C84 H64 Ag4 B4 F8 N16 -","4","1","","Matsumoto, Kouzou; Kannami, Masaki; Inokuchi, Daisuke; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji","Tetrakis(4-pyridyl)methane: synthesis, properties, and a diamondoid network structure of its silver(I) complex.","Organic letters","2007","9","15","2903","2906","10.1021/ol071189n","","","0.7107","MoKα","","","0.1319","","","","0.4005","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505480","17.988","0.0006","31.6872","0.001","14.5672","0.0005","90","","90","","90","","8303.1","0.5","143","1","143","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C390 H294 Li12 N30 O24 Yb4 -","4","1","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0649","0.0519","","","0.1411","0.1524","","","","","","1.056","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1505849","20.9715","0.0016","39.437","0.003","13.8177","0.001","90","","90","","90","","11428","1.5","90","","90","","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C428 H362 Ag4 Cl38 F30 N16 O38 P16 Ru8 S10 -","4","1","","Mikami, Koichi; Wakabayashi, Kazuki; Aikawa, Kohsuke","""Achiral"" benzophenone ligand for highly enantioselective Ru catalysts in ketone hydrogenation.","Organic letters","2006","8","8","1517","1519","10.1021/ol052936o","","","0.71073","MoKα","","0.0821","0.0754","","","0.2099","0.2145","","","","","","1.145","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506056","12.005","0.001","18.675","0.001","10.778","0.001","90","","90","","90","","2416.4","0.3","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C96 H148 N4 O12 -","4","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0724","0.0528","","","0.1182","0.1352","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506503","8.1817","0.0008","18.7309","0.0018","6.28","0.0006","90","","90","","90","","962.41","0.16","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H20 F6 O -","- C21 H20 F6 O -","- C42 H40 F12 O2 -","2","0.5","","Resendiz, Marino J. E.; Garcia-Garibay, Miguel A","Hammett analysis of photodecarbonylation in crystalline 1,3-diarylacetones.","Organic letters","2005","7","3","371","374","10.1021/ol0480527","","","0.71073","MoKα","","0.0431","0.0361","","","0.1015","0.1065","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506589","13.118","0.003","31.435","0.008","7.245","0.001","90","","90","","90","","2987.6","1.1","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C31 H54 O3 -","- C31 H52 O3 -","- C124 H208 O12 -","4","1","","Cai, Xiang-Hai; Luo, Xiao-Dong; Zhou, Jun; Hao, Xiao-Jiang","Compound representatives of a new type of triterpenoid from Aglaia odorata.","Organic letters","2005","7","14","2877","2879","10.1021/ol050805h","","","0.71073","MoKα","","0.1609","0.0621","","","0.1272","0.1451","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506679","16.4388","0.0001","20.273","0.0016","5.7205","0.0003","90","","90","","90","","1906.44","0.18","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","compound10","compound10","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.0895","0.06","","","0.1371","0.1543","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506945","9.521","0.002","32.527","0.007","6.7189","0.0013","90","","90","","90","","2080.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N O6 V -","- C19 H24 N O6 V -","- C76 H96 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0695","0.0379","","0.0927","0.0824","","","","1.002","1.124","1.124","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507035","13.408","0.001","15.869","0.001","9.591","0.001","90","","90","","90","","2040.7","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","(20E,1S,4R,7S,10S,13R,16S)-4,13-dibenzyl-7,8,16,17- di(propane-1,3-diyl)-2,5,8,11,14,17-hexaaza- bicyclo[8.8.4]docos-20-ene-3,6,9,12,15,18-hexaone","","- C36 H52 N6 O11 -","- C36 H52 N6 O11 -","- C72 H104 N12 O22 -","2","0.5","","Giovannoni, Jérôme; Didierjean, Claude; Durand, Philippe; Marraud, Michel; Aubry, André; Renaut, Patrice; Martinez, Jean; Amblard, Muriel","Synthesis and structure of symmetrical bicyclic hexapeptides bridged by metathesis reaction.","Organic letters","2004","6","20","3449","3452","10.1021/ol0487940","","x-ray","1.5418","CuKα","","0.0615","0.0589","","","0.1676","0.1731","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507074","20.959","0.002","9.5785","0.0009","10.3711","0.001","90","","90","","90","","2082.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H28 N4 O5 -","- C17 H28 N4 O5 -","- C68 H112 N16 O20 -","4","1","","Liu, Ke-Gang; Yan, Shi; Wu, Yu-Lin; Yao, Zhu-Jun","Synthesis of 4-azido-4-deoxy-Neu5,7,8,9Ac42en1Me. A key intermediate for the synthesis of GG167 from D-glucono-delta-lactone.","Organic letters","2004","6","13","2269","2272","10.1021/ol0491890","","","0.71073","MoKα","","0.15","0.0467","","","0.0616","0.0759","","","","","","0.693","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507594","13.485","0.0011","16.4869","0.0014","7.219","0.0006","90","","90","","90","","1605","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.035","0.0325","","","0.084","0.086","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507690","15.9699","0.0004","13.9567","0.0004","6.9126","0.0002","90","","90","","90","","1540.73","0.07","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1S,2R,3S,5S,6S,8R-3-methyl-3-methoxycarbonyl-5-phenyl-9, 11-dioxa-4-azatricyclo[6.2.1.0^2,6^]undecan-7-one","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Sarotti, Ariel M.; Spanevello, Rolando A.; Suárez, Alejandra G; Echeverría, Gustavo A; Piro, Oscar E.","1,3-Dipolar cycloaddition reactions of azomethine ylides with a cellulose-derived chiral enone. A novel route for organocatalysts development.","Organic letters","2012","14","10","2556","2559","10.1021/ol3008588","","","1.54184","CuKα","","0.0414","0.0388","","","0.1097","0.1143","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1509896","17.43","","12.24","","4.35","","90","","90","","90","","928.043","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Hg4.6 Ag4.4 S4.6 (Cl2 Br.8 I1.6)","","- Ag4.4 Br0.8 Cl2 Hg4.6 I1.6 S4.6 -","- Ag4.4 Br0.8 Cl2 Hg4.6 I1.6 S4.6 -","- Ag8.8 Br1.6 Cl4 Hg9.2 I3.2 S9.2 -","2","0.5","","Mumme, W.G.; Nickel, E.H.","Crystal structure and crystal chemistry of perroudite: A mineral from Coppin Pool, Western Australia","American Mineralogist","1987","72","","1257","1262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510362","10.982","","11.093","","6.652","","90","","90","","90","","810.369","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Au2 Ba (Sn S4)","","- Au2 Ba S4 Sn -","- Au2 Ba S4 Sn -","- Au8 Ba4 S16 Sn4 -","4","1","","Teske, C.L.","Darstellung und Kristallstruktur von Gold-Barium-Thiostannat(IV), Au Ba Sn S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","445","","193","201","10.1002/zaac.19784450124","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511942","14.714","0.003","22.636","0.004","9.8621","0.0018","90","","90","","90","","3284.7","1.1","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C45 H27 O8 -","- C45 H27 O8 -","- C180 H108 O32 -","4","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.71073","MoKα","","0.0371","0.0331","","","0.0843","0.0873","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512145","13.0378","0.0015","17.163","0.003","6.2782","0.0009","90","","90","","90","","1404.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H25 O4.5 -","- C13 H25 O4.5 -","- C52 H100 O18 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0637","0.0495","","","0.1256","0.1341","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512158","11.542","0.0005","24.4903","0.0012","7.7765","0.0004","90","","90","","90","","2198.16","0.18","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C108 H140 N4 O8 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","1.54178","CuKα","","0.0317","0.0312","","","0.0835","0.0838","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512159","11.6639","0.0011","24.764","0.002","7.7832","0.0005","90","","90","","90","","2248.1","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C108 H140 N4 O8 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","0.71073","MoKα","","0.0519","0.038","","","0.0794","0.085","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512196","15.3838","0.0003","14.0397","0.0004","10.9931","0.0003","90","","90","","90","","2374.33","0.1","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 2","P 2 2ab","18","","","","- C23 H30 N3 O9 -","- C23 H30 N3 O9 -","- C92 H120 N12 O36 -","4","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0609","0.0547","","0.1559","0.1539","0.1559","","","","","","1.1331","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512348","11.3046","0.0007","26.6589","0.0016","6.2333","0.0004","90","","90","","90","","1878.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","130125a","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0339","0.0302","","","0.0702","0.0723","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512591","8.103","0.0003","23.0098","0.0008","7.3274","0.0002","90","","90","","90","","1366.18","0.08","98","","98","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Yang, Aigang; Si, Longlong; Shi, Zhenping; Tian, Li; Liu, Dong; Zhou, Demin; Proksch, Peter; Lin, Wenhan","Nitrosporeusines A and B, Unprecedented Thioester-Bearing Alkaloids from the ArcticStreptomyces nitrosporeus","Organic Letters","2013","15","20","5366","","10.1021/ol4026809","","","1.5418","CuKα","","0.059","0.0589","","","0.1675","0.1676","","","","","","1.192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512757","22.334","0.001","6.746","0.001","7.597","0.001","90","","90","","90","","1144.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H20 Co2 N2 O12 -","- C18 H16 Co2 N2 O12 -","- C36 H32 Co4 N4 O24 -","2","0.5","","Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks","Inorganica Chimica Acta","2013","394","","367","372","10.1016/j.ica.2012.08.012","","x-ray","0.85","synchrotron","","0.0542","0.0492","","","0.1389","0.1413","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512758","22.186","0.001","6.731","0.001","7.575","0.001","90","","90","","90","","1131.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H20 N2 Ni2 O12 -","- C18 H16 N2 Ni2 O12 -","- C36 H32 N4 Ni4 O24 -","2","0.5","","Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks","Inorganica Chimica Acta","2013","394","","367","372","10.1016/j.ica.2012.08.012","","x-ray","0.85","synchrotron","","0.0597","0.0575","","","0.1578","0.1604","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512759","23.6987","0.0006","9.6879","0.0002","10.4569","0.0003","90","","90","","90","","2400.81","0.1","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H24 N2 Ni2 O13 -","- C20 H18 N2 Ni2 O13 -","- C80 H72 N8 Ni8 O52 -","4","1","","Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks","Inorganica Chimica Acta","2013","394","","367","372","10.1016/j.ica.2012.08.012","","x-ray","0.71073","MoKα","","0.026","0.0236","","","0.0701","0.0712","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512810","21.196","0.002","15.0676","0.0017","8.0827","0.0009","90","","90","","90","","2581.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H13 N O6 -","- C12 H13 N O6 -","- C96 H104 N8 O48 -","8","2","","Devendra Singh; Jubaraj B. Baruah","Hydroxy-carboxylates of manganese, zinc and cadmium","Inorganica Chimica Acta","2013","394","","703","709","10.1016/j.ica.2012.09.025","","","0.71073","MoKα","","0.0681","0.0451","","","0.1032","0.1105","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512881","10.5048","0.0014","19.649","0.003","7.3228","0.0009","90","","90","","90","","1511.5","0.4","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H34 N4 O4 Pd -","- C30 H34 N4 O4 Pd -","- C60 H68 N8 O8 Pd2 -","2","0.5","","Ana S.D. Ferreira; M. Fernanda N.N. Carvalho; Adelino M. Galvao; Luis F. Veiros","Tuning structure and properties of Pd and Pt camphor derived complexes","Inorganica Chimica Acta","2013","395","","169","175","10.1016/j.ica.2012.10.036","","","0.71073","MoKα","","0.0471","0.0402","","","0.1152","0.1362","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513241","14.8863","0.0002","25.4284","0.0004","6.6202","0.0001","90","","90","","90","","2505.98","0.06","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H44 O3 Si -","- C24 H44 O3 Si -","- C96 H176 O12 Si4 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Total synthesis of (+)-cassaine utilizing an anionic polycyclization strategy.","Organic letters","2013","15","24","6270","6273","10.1021/ol4030937","","","0.71073","MoKα","","0.048","0.0444","","","0.1221","0.1261","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513459","8.3847","0.0002","26.3518","0.0009","8.3634","0.0003","90","","90","","90","","1847.91","0.1","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0391","0.0353","","","0.0881","0.0903","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513473","23.138","0.001","24.004","0.001","8.6874","0.0004","90","","90","","90","","4825","0.4","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","2","","Gao, Xiu; Shao, Li-Dong; Dong, Liao-Bin; Cheng, Xiao; Wu, Xing-De; Liu, Fei; Jiang, Wei-Wei; Peng, Li-Yan; He, Juan; Zhao, Qin-Shi","Vibsatins A and B, Two New Tetranorvibsane-Type Diterpenoids from Viburnum tinus cv. variegatus.","Organic letters","2014","16","3","980","983","10.1021/ol403707a","","","1.54178","CuKα","","0.1068","0.0743","","","0.1746","0.1884","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513492","15.6572","0.0005","20.2909","0.0007","9.0472","0.0003","90","","90","","90","","2874.28","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C46 H76 N2 O8 P4 Pt2 -","- C46 H76 N2 O8 P4 Pt2 -","- C92 H152 N4 O16 P8 Pt4 -","2","0.5","","Ou-Yang, Jiang-Kun; Zhang, Yan-Yan; He, Meng-Lan; Li, Jiang-Tao; Li, Xiaopeng; Zhao, Xiao-Li; Wang, Cui-Hong; Yu, Yihua; Wang, De-Xian; Xu, Lin; Yang, Hai-Bo","Unexpected Self-Assembly of Chiral Triangles from 90° Chiral Di-Pt(II) Acceptors.","Organic letters","2014","16","3","664","667","10.1021/ol4032649","","","0.71073","MoKα","","0.02","0.0195","","","0.0529","0.0533","","","","","","1.059","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1513821","15.769","0.012","27.12","0.02","11.319","0.009","90","","90","","90","","4841","6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44.4 H34.4 Cl7.2 N4 O8 S2 -","- C44.4 H34 Cl7.2 N4 O8 S2 -","- C177.6 H136 Cl28.8 N16 O32 S8 -","4","1","","Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel","Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites","Organic Letters","2014","16","5","1302","1305","10.1021/ol403643d","","","0.71075","MoKα","","0.0626","0.0601","","","0.1639","0.1665","","","","","","1.091","","","","has coordinates,has disorder","218602","2020-10-21","18:00:00",""
"1514350","19.716","0.005","23.201","0.006","4.2513","0.001","90","","90","","90","","1944.7","0.8","163","2","163","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C21 H18 Br2 F N3 O -","- C21 H18 Br2 F N3 O -","- C84 H72 Br8 F4 N12 O4 -","4","1","","Naidoo, Jacinth; De Jesus-Cortes, Hector; Huntington, Paula; Estill, Sandi; Morlock, Lorraine K.; Starwalt, Ruth; Mangano, Thomas J.; Williams, Noelle S.; Pieper, Andrew A.; Ready, Joseph M.","Discovery of a Neuroprotective Chemical, (S)-N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with Improved Druglike Properties.","Journal of medicinal chemistry","2014","57","9","3746","3754","10.1021/jm401919s","","","0.71075","MoKα","","0.0542","0.0435","","","0.0931","0.098","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514579","25.5236","0.0014","13.7422","0.0008","14.3634","0.0008","90","","90","","90","","5038","0.5","100.15","","100.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C54 H78 Cl Ir N2 O2 -","- C54 H78 Cl Ir N2 O2 -","- C216 H312 Cl4 Ir4 N8 O8 -","4","1","","Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang","Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid","Chemical Science","2013","4","3","1234","","10.1039/c2sc21923a","","","0.71073","MoKα","","0.0429","0.0395","","","0.0838","0.086","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515172","24.661","0.003","27.676","0.003","6.5393","0.0007","90","","90","","90","","4463.2","0.9","296.1","","296.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C49 H50 F O9 P -","- C49 H48 F O9 P -","- C196 H192 F4 O36 P4 -","4","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0592","","","","0.2291","","","","","","1.317","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515301","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Kataoka, Keisuke; Katagiri, Toshimasa","Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal.","Nanoscale","2012","4","16","5098","5101","10.1039/c2nr30940h","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515646","8.3338","0.0007","25.68","0.002","15.2004","0.0012","90","","90","","90","","3253.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33.25 H37.25 Cl1.5 N2 O4 Si -","- C33 H37 Cl N2 O4 Si -","- C132 H148 Cl4 N8 O16 Si4 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","0.71073","MoKα","","0.0927","0.0605","","","0.148","0.1668","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515947","15.368","0.0003","55.574","0.0013","6.2795","0.0002","90","","90","","90","","5363.1","0.2","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H37 N O5 Si -","- C28 H37 N O5 Si -","- C224 H296 N8 O40 Si8 -","8","2","","Trost, Barry M.; Ehmke, Veronika","An approach for rapid increase in molecular complexity: atom economic routes to fused polycyclic ring systems.","Organic letters","2014","16","10","2708","2711","10.1021/ol5009872","","","1.54184","CuKα","","0.0829","0.0669","","","0.1644","0.1765","","","","","","1.025","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1515978","18.9352","0.0009","29.3697","0.0013","6.2956","0.0003","90","","90","","90","","3501.1","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Br N O5 -","- C18 H22 Br N O5 -","- C144 H176 Br8 N8 O40 -","8","2","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0711","0.0561","","","0.1157","0.1274","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516023","11.2093","0.0003","38.8302","0.0009","7.2838","0.0002","90","","90","","90","","3170.34","0.14","140","2","140","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C32 H60 O10 -","- C32 H50 O10 -","- C128 H200 O40 -","4","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0844","0.0822","","","0.2311","0.2343","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516188","5.4674","0.0009","29.89","0.004","4.4627","0.0009","90","","90","","90","","729.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H17 O6 -","- C18 H17 O6 -","- C36 H34 O12 -","2","0.5","","La Clair, James J.; Rheingold, Arnold L.; Burkart, Michael D.","Ganodone, a bioactive benzofuran from the fruiting bodies of Ganoderma tsugae.","Journal of natural products","2011","74","10","2045","2051","10.1021/np200361y","","","1.54178","CuKα","","0.0592","0.0568","","","0.165","0.1672","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516355","4.979","0.001","10.775","0.002","4.5764","0.0009","90","","90","","90","","245.52","0.08","150","","150","","","","","","","","Sigma-Aldrich","4","P 21 21 2","P 2 2ab","18","1,3-dimethylurea","1,3-dimethylurea","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C6 H16 N4 O2 -","2","0.5","","Martins, David M. S.; Spanswick, Christopher K.; Middlemiss, Derek S.; Abbas, Nasir; Pulham, Colin R.; Morrison, Carole A.","A new polymorph of N,N'-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations.","The journal of physical chemistry. A","2009","113","20","5998","6003","10.1021/jp900141q","","x-ray","0.71073","MoKα","","0.047","0.0362","","0.0919","0.0892","0.0919","","","","","","1.0036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516960","14.654","0.005","11.152","0.005","10.05","0.003","90","","90","","90","","1642.4","1","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C39 H34 Cl2 N2 O2 Pd -","- C39 H34 Cl2 N2 O2 Pd -","- C78 H68 Cl4 N4 O4 Pd2 -","2","0.5","","Takashi Tsuno; Haruka Iwabe; Henri Brunner","Synthesis and structural characterization of isomeric palladium(II) complexes with chiral N,O-bidentate ligands","Inorganica Chimica Acta","2013","400","","262","266","","","x-ray","0.71073","MoKα","","0.0212","0.0199","","","0.0463","0.0467","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516988","6.787","0.003","23.691","0.01","4.5084","0.0019","90","","90","","90","","724.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","0.5","","Victor Barba; Paola Ramos; Danae Jimenez; Abraham Rivera; Ariel Meneses","Calixarene and hemicarcerand-like compounds obtained by self-assembly of 3-aminophenylboronic acid and salicylaldehyde derivatives","Inorganica Chimica Acta","2013","401","","30","37","","","","0.71073","MoKα","","0.0455","0.0404","","","0.0804","0.0866","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517193","34.7416","0.0005","11.7295","0.0002","7.4495","0.0001","90","","90","","90","","3035.68","0.08","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H36 Cl N O6 S2 -","- C31 H36 Cl N O6 S2 -","- C124 H144 Cl4 N4 O24 S8 -","4","1","","Gu, Jing; Ma, Chao; Li, Qing-Zhu; Du, Wei; Chen, Ying-Chun","β,γ-Regioselective Inverse-Electron-Demand Aza-Diels-Alder Reactions with α,β-Unsaturated Aldehydes via Dienamine Catalysis.","Organic letters","2014","16","15","3986","3989","10.1021/ol501814p","","","1.54184","CuKα","","0.0487","0.0471","","","0.1273","0.1293","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517488","14.8053","0.0012","25.638","0.002","6.416","0.0008","90","","90","","90","","2435.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H29 N3 O5 -","- C26 H29 N3 O5 -","- C104 H116 N12 O20 -","4","1","","Zhang, Peng; Mándi, Attila; Li, Xiao-Ming; Du, Feng-Yu; Wang, Jia-Ning; Li, Xin; Kurtán, Tibor; Wang, Bin-Gui","Varioxepine A, a 3H-Oxepine-Containing Alkaloid with a New Oxa-Cage from the Marine Algal-Derived Endophytic Fungus Paecilomyces variotii.","Organic letters","2014","16","18","4834","4837","10.1021/ol502329k","","","1.54178","CuKα","","0.2136","0.0802","","","0.0954","0.1554","","","","","","0.765","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517896","11.536","0.0002","19.2745","0.0003","8.1119","0.0001","90","","90","","90","","1803.69","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Alstoumerine oxindole","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok","Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.","Journal of natural products","2014","77","9","2068","2080","10.1021/np500439u","","","0.71073","MoKα","","0.067","0.0444","","","0.0815","0.0912","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517908","12.7999","0.0009","27.2648","0.0016","7.9116","0.0006","90","","90","","90","","2761","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei","Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.","Organic letters","2014","16","19","5092","5095","10.1021/ol502441n","","","0.71073","MoKα","","0.0592","0.0425","","","0.0965","0.1039","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517935","14.3472","0.0014","17.3099","0.0013","8.191","0.001","90","","90","","90","","2034.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H33 N O7 S -","- C19 H33 N O7 S -","- C76 H132 N4 O28 S4 -","4","1","","Al Hazmi, Ali M.; Sheikh, Nadeem S.; Bataille, Carole J. R.; Al-Hadedi, Azzam A M; Watkin, Sam V.; Luker, Tim J.; Camp, Nicholas P.; Brown, Richard C. D.","trans-2-Tritylcyclohexanol as a Chiral Auxiliary in Permanganate-Mediated Oxidative Cyclization of 2-Methylenehept-5-enoates: Application to the Synthesis of trans-(+)-Linalool Oxide.","Organic letters","2014","16","19","5104","5107","10.1021/ol502454r","","","0.71073","MoKα","","0.0462","0.0393","","","0.0948","0.0979","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517994","13.739","0.002","12.95","0.001","7.211","0.001","90","","90","","90","","1283","0.3","","","293","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- Nb2 P S10 -","- Nb2 P S10 -","- Nb8 P4 S40 -","4","1","","Brec, Raymond; Grenouilleau, Philippe; Evain, Michel; Rouxel, Jean","PNb2S10 a new two-dimensional sulfide. Synthesis and structural characterization","Revue de Chimie Minerale","1983","20","","295","305","","","x-ray","0.71069","MoKα","","","0.04","","","0.048","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518184","14.1928","0.0013","17.7023","0.0016","10.7282","0.001","90","","90","","90","","2695.4","0.4","120","2","119.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H27 O9.5 -","- C24 H27 O9.5 -","- C96 H108 O38 -","4","1","","Luo, Jian-Guang; Wang, Xiao-Bing; Xu, Ya-Ming; U'Ren, Jana M; Arnold, A. Elizabeth; Kong, Ling-Yi; Gunatilaka, A. A. Leslie","Delitschiapyrone A, a pyrone-naphthalenone adduct bearing a new pentacyclic ring system from the leaf-associated fungus Delitschia sp. FL1581.","Organic letters","2014","16","22","5944","5947","10.1021/ol502973c","","","0.71073","MoKα","","0.0924","0.0774","","","0.1827","0.1894","","","","","","1.167","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518270","13.3503","0.0015","26.402","0.003","11.0275","0.0012","90","","90","","90","","3886.9","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H18 Br F3 N2 O5 -","- C17 H18 Br F3 N2 O5 -","- C136 H144 Br8 F24 N16 O40 -","8","2","","Li, Lei; Guo, Jing-Yao; Liu, Xing-Guo; Chen, Su; Wang, Yong; Tan, Bin; Liu, Xin-Yuan","Amide groups switch selectivity: C-H trifluoromethylation of α,β-unsaturated amides and subsequent asymmetric transformation.","Organic letters","2014","16","22","6032","6035","10.1021/ol503067g","","","0.71073","MoKα","","0.1517","0.0575","","","0.1552","0.1986","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518426","8.5692","0.0004","21.534","0.0011","7.9705","0.0004","90","","90","","90","","1470.79","0.13","90","","90.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","","Centko, Ryan M.; Steinø, Anne; Rosell, Federico I.; Patrick, Brian O.; de Voogd, Nicole; Mauk, A. Grant; Andersen, Raymond J.","Indoleamine 2,3-dioxygenase inhibitors isolated from the sponge Xestospongia vansoesti: structure elucidation, analogue synthesis, and biological activity.","Organic letters","2014","16","24","6480","6483","10.1021/ol503337f","","x-ray","1.54178","CuKα","","0.0521","0.0475","","","0.1161","0.1188","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518490","15.8829","0.0006","19.5684","0.0009","11.5831","0.0005","90","","90","","90","","3600.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H34 Co2 F6 N O5 P2 -","- C36 H34 Co2 F6 N O5 P2 -","- C144 H136 Co8 F24 N4 O20 P8 -","4","1","","Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier","Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.","Organic letters","2015","17","2","250","253","10.1021/ol503329g","","","0.71073","MoKα","","0.0475","0.035","","","0.0861","0.0937","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519131","14.7756","0.0008","14.178","0.003","7.7793","0.0011","90","","90","","90","","1629.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H22 Br N O3 S -","- C14 H22 Br N O3 S -","- C56 H88 Br4 N4 O12 S4 -","4","1","","Ward, Robert S.; Hursthouse, Michael B.","C14H22BrNO3S","Crystal Structure Report Archive","1993","","","1189","","","","","0.71069","MoKα","","0.0621","0.0453","","","0.1065","0.1268","","","","","","0.577","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519286","18.5858","0.001","7.649","0.0003","8.0285","0.0004","90","","90","","90","","1141.35","0.09","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C9 H20 N2 O3 -","- C9 H20 N2 O3 -","- C36 H80 N8 O12 -","4","1","","Gelbrich, Thomas; Shepherd, Emma; Hursthouse, Michael B.; Kilburn, Jeremy D.","N,N,N-Trimethylmethanaminium 2-(acetylamino)propanoate","Crystal Structure Report Archive","2000","","","405","","","","","0.71073","MoKα","","0.052","0.0385","","","0.092","0.097","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519885","11.5691","0.0004","11.5772","0.0004","4.6662","0.0001","90","","90","","90","","624.98","0.03","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N,N'-bis(2-Bromoyphenyl)urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(2-Bromoyphenyl)urea","Crystal Structure Report Archive","2008","","","689","","","","","0.71073","MoKα","","0.0295","0.0276","","","0.0588","0.0597","","","","","","1.092","","","","has coordinates,has disorder","137218","2020-10-21","18:00:00",""
"1519896","9.5899","0.001","14.5337","0.0014","4.6028","0.0003","90","","90","","90","","641.52","0.1","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C30 H32 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Methylphenyl)urea","Crystal Structure Report Archive","2008","","","688","","","","","0.71073","MoKα","","0.0632","0.0465","","","0.1044","0.1137","","","","","","1.093","","","","has coordinates","137229","2020-10-21","18:00:00",""
"1519920","9.6365","0.0003","15.3873","0.0005","4.567","0.0001","90","","90","","90","","677.19","0.03","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N,N'-bis(3-Iodophenyl)urea","","- C13 H10 I2 N2 O -","- C13 H10 I2 N2 O -","- C26 H20 I4 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Iodophenyl)urea","Crystal Structure Report Archive","2008","","","683","","","","","0.71073","MoKα","","0.0183","0.0175","","","0.0395","0.0401","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519922","9.5368","0.0002","14.7516","0.0004","4.5621","0.0001","90","","90","","90","","641.81","0.03","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N,N'-bis(3-Bromoyphenyl)urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Bromoyphenyl)urea","Crystal Structure Report Archive","2008","","","685","","","","","0.71073","MoKα","","0.0209","0.0198","","","0.0461","0.0468","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520622","18.978","0.0002","24.2645","0.0002","10.3218","0.0001","90","","90","","90","","4753.1","0.08","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C38.39 H77.58 F N O12 -","- C38.388 H77.572 F N O12 -","- C153.552 H310.288 F4 N4 O48 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0675","0.0448","","0.0978","0.0884","0.0978","","","","","","0.9807","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1521136","5.2432","","5.052","","8.8432","","90","","90","","90","","234.244","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Co (Te Mo O6)","","- Co Mo Te -","- Co Mo Te -","- Co2 Mo2 Te2 -","2","0.5","","Hayashi, H.; Kokawa, N.; Moriga, T.; Koto, K.; Sugiyama, S.","The Rietveld analysis of crystal structure of an additive telluromolybdate Co Te Mo O6","Journal of Molecular Catalysis","1999","145","","301","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521454","12.2567","","36.633","","3.9496","","90","","90","","90","","1773.37","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Nb6.7 W10.3 O47","","- Nb6.7 O47 W10.3 -","- Nb6.703 O47 W10.299 -","- Nb13.406 O94 W20.598 -","2","0.5","","Krumeich, F.; Woerle, M.; Hussain, A.","Superstructure and twinning in the tetragonal tungsten bronze-type phase Nb7 W10 O47","Journal of Solid State Chemistry","2000","149","","428","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","141665","2020-10-21","18:00:00",""
"1524391","7.7","","15.7","","3.979","","90","","90","","90","","481.021","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Te3 Nb2 O11","","- Nb2 O11 Te3 -","- Nb2 O11 Te3 -","- Nb4 O22 Te6 -","2","0.5","","Galy, J.; Lindqvist, O.","The crystal structure of Te3 Nb2 O11","Journal of Solid State Chemistry","1979","27","","279","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","145145","2020-10-21","18:00:00",""
"1526074","24.814","","18.458","","10.2575","","90","","90","","90","","4698.11","","","","","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","(C6 H12 (N H2)2)2 Zn Ga7 (H P O4)2 (P O4)6 (O H) F4 (H2 O)3","","- C12 H41 F4 Ga7 N4 O36 P8 Zn -","- C12 F3.5 Ga7 N4 O36 P8 Zn -","- C48 F14 Ga28 N16 O144 P32 Zn4 -","4","1","","Mrak, M.; Zabukovec Logar, N.; Helliwell, M.; Ristic, A.; Kaucic, V.","Structure refinement of zinc containing gallophosphate with the ULM-5 structure","Acta Chimica Slovenica","2001","48","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526818","5.2545","","5.0653","","8.8589","","90","","90","","90","","235.785","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Co Te Mo O6","","- Co Mo O6 Te -","- Co Mo O6 Te -","- Co2 Mo2 O12 Te2 -","2","0.5","","Laligant, Y.","X-ray and TEM studies of Cd Te Mo O6 and Co Te Mo O6: a new superstructure of fluorite type with cation and anion deficiencies ((vac) Co Te Mo) ((vac)2 O6)","Journal of Solid State Chemistry","2001","160","","401","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528523","12.9152","","7.3761","","8.7016","","90","","90","","90","","828.948","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Eu (O H)2.5 Cl0.5 (H2 O)0.8","","- Cl0.5 Eu H4.1 O3.3 -","- Cl0.5 Eu O3.3 -","- Cl4 Eu8 O26.4 -","8","2","","Geng Fengxia; Sasaki, T.; Xin Hao; Ma Renzhi; Matsushita, Y.; Tanaka, M.; Iyi, N.; Izumi, F.","New layered rare-earth hydroxides with anion-exchange properties","Chemistry - A European Journal","2008","14","","9255","9260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529291","21.98","0.005","17.101","0.004","17.472","0.004","90","","90","","90","","6567","3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C164 H98 Cl6 O12 P4 -","- C164 H98 Cl6 O12 P4 -","- C328 H196 Cl12 O24 P8 -","2","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0771","0.058","","","0.1234","0.1303","","","","","","1.073","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529875","6.8018","0.0003","20.5957","0.0009","12.4023","0.0005","90","","90","","90","","1737.41","0.13","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","Icacinlactone","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao","Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.","Organic letters","2015","17","15","3834","3837","10.1021/acs.orglett.5b01806","","","1.54178","CuKα","","0.0721","0.0721","","","0.1924","0.1924","","","","","","1.221","","","","has coordinates","154526","2020-10-21","18:00:00",""
"1533197","11.235","","7.639","","6.515","","90","","90","","90","","559.144","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","18","","Rb Bi (S C N)4","","- Bi Rb -","- Bi Rb -","- Bi2 Rb2 -","2","0.5","","Galdecki, Z.; Glovka, M.L.","Refinement of Parameters of Light Atoms in Presence of Heavy Atoms Exemplified by Rubidium Tetrathiocyanatobismuthate(III)","Polish Journal of Chemistry","1978","52","","787","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534120","14.958","0.002","25.526","0.004","11.093","0.002","90","","90","","90","","4235.5","1.2","296","2","296.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H52 N4 O9 -","- C48 H52 N4 O9 -","- C192 H208 N16 O36 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2581","0.0681","","","0.1272","0.1914","","","","","","0.898","","","","has coordinates","160472","2020-10-21","18:00:00",""
"1535296","10.9583","","22.5819","","7.9552","","90","","90","","90","","1968.59","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","K6 ((U O2)4 (Cr O4)7) (H2 O)6","","- Cr7 H12 K6 O42 U4 -","- Cr7 K6 O42 U4 -","- Cr14 K12 O84 U8 -","2","0.5","","Sykora, R.E.; McDaniel, S.M.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structure of K6 ((U O2)4 (Cr O4)7) . 6H2 O: a layered uranyl chromate with a new uranyl sheet topology","Journal of Solid State Chemistry","2004","177","","1431","1436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536691","8.884","0.004","15.136","0.004","8.309","0.003","90","","90","","90","","1117.3","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","((N O2) (Br F4)) (Br F3 O)2","","- Br3 F10 N O4 -","- Br3 F10 N O4 -","- Br12 F40 N4 O16 -","4","1","","Ellern, Arkady; Boatz, Jerry A.; Christe, Karl O.; Drews, Thomas; Seppelt, Konrad","The crystal structures of ClF~3~O, BrF~3~O and [NO]^+^[BrF~4~O]^-^","Zeitschrift für anorganische und allgemeine Chemie","2002","628","","1991","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","210886","2020-10-21","18:00:00",""
"1536805","11.99","","16.425","","8.5433","","90","","90","","90","","1682.48","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Eu8 (Sn4 Se14) (Se3)2","","- Eu8 Se20 Sn4 -","- Eu8 Se20 Sn4 -","- Eu16 Se40 Sn8 -","2","0.5","","Evenson, C.R.IV.; Dorhout, P.K.","Synthesis, structural, and optical characterization of a new europium(II) tin selenide, Eu8 (Sn4 Se14) (Se3)2 with a (Sn4 Se14)(2-) building block","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2178","2182","","","","","","","","","","","","","","","","","","","","","","has coordinates","164673","2020-10-21","18:00:00",""
"1537208","9.537","","9.651","","6.509","","90","","90","","90","","599.099","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Ba2 (Al4 Si6 O20) (H2 O)7","","- Al4 Ba2 H14 O27 Si6 -","- Al4 Ba2 H14.024 O27.012 Si6 -","- Al4 Ba2 H14.024 O27.012 Si6 -","1","0.25","","Kvick, A.; Smith, J.V.","A neutron diffraction study of the zeolite edingtonite","Journal of Chemical Physics","1983","79","","2356","2362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540509","16.355","0.003","17.478","0.004","5.4549","0.0011","90","","90","","90","","1559.3","0.6","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H26 Ca N4 O14 S2 -","- C24 H26 Ca N4 O14 S2 -","- C48 H52 Ca2 N8 O28 S4 -","2","0.5","","Tai, Xi-Shi; Wang, Xin","Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Constructed from Ca2+ and 2-[(E)-(2-Furoylhydrazono)methyl]benzenesulfonate","Crystals","2015","5","4","458","","10.3390/cryst5040458","","","0.71073","MoKα","","0.075","0.0703","","","0.1848","0.1884","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542772","11.9247","0.0005","14.3066","0.0007","6.2444","0.0005","90","","90","","90","","1065.31","0.11","308","0.7","308","0.7","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh","Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K","IUCrJ","2015","2","1","19","28","10.1107/S2052252514022155","","","0.60097","","","0.0371","0.0236","","","0.0579","0.0608","","","","","","0.997","","","","has coordinates","178176","2020-10-21","18:00:00",""
"1542989","23.0058","0.001","15.2127","0.0005","7.8037","0.0003","90","","90","","90","","2731.14","0.18","293.89","0.1","154.89","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H34 O8 -","- C28 H34 O8 -","- C112 H136 O32 -","4","1","","Zhai, Ming-Ming; Qi, Feng-Ming; Li, Jie; Jiang, Chun-Xiao; Hou, Yue; Shi, Yan-Ping; Di, Duo-Long; Zhang, Ji-Wen; Wu, Quan-Xiang","Isolation of Secondary Metabolites from the Soil-Derived Fungus Clonostachys rosea YRS-06, a Biological Control Agent, and Evaluation of Antibacterial Activity.","Journal of agricultural and food chemistry","2016","64","11","2298","2306","10.1021/acs.jafc.6b00556","","x-ray","1.54184","CuKα","","0.0506","0.0443","","","0.1147","0.1205","","","","","","1.008","","","","has coordinates","181336","2020-10-21","18:00:00",""
"1543287","27.6846","0.0008","17.5786","0.0004","14.8975","0.0004","90","","90","","90","","7250","0.3","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C180 H396 K8 N4 O60 S6 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1361","0.0752","","","0.1315","0.156","","","","","","1.021","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543362","27.6917","0.0006","14.8522","0.0002","8.87923","0.00016","90","","90","","90","","3651.87","0.11","292.41","0.1","292.41","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C33 H43 N O12 -","- C33.5 H43 N O11.56 -","- C134 H172 N4 O46.24 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","x-ray","1.54184","CuKα","","0.0885","0.0861","","","0.2445","0.2485","","","","","","1.09","","","","has coordinates,has disorder","184966","2020-10-21","18:00:00",""
"1543363","27.6917","0.0006","14.8522","0.0002","8.87923","0.00016","90","","90","","90","","3651.87","0.11","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H43 N O11 -","- C31 H43 N O11 -","- C124 H172 N4 O44 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.0507","0.0487","","","0.1291","0.131","","","","","","1.088","","","","has coordinates,has disorder","184966","2020-10-21","18:00:00",""
"1543554","15.9092","0.0004","18.9397","0.0005","8.0829","0.0002","90","","90","","90","","2435.5","0.11","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26.5 H36 O7.5 -","- C26.5 H36 O7.5 -","- C106 H144 O30 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0411","0.0407","","","0.1136","0.114","","","","","","1.046","","","","has coordinates,has disorder","187021","2020-10-21","18:00:00",""
"1544226","3.414","0.003","7.36","0.008","4.606","0.01","90","","90","","90","","115.7","0.3","296","2","296","2","3100000","","","","","","","4","P 21 21 2","P 2 2ab","18","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.5","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0573","0.0332","","","0.0661","0.0839","","","","","","1.217","","","","has coordinates","186852","2020-10-21","18:00:00",""
"1544668","8.099","0.001","8.325","0.001","5.966","0.001","90","","90","","90","","402.25","0.1","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","Zn2(OH)PO4","","Zn2(OH)PO4","- H O5 P Zn2 -","- H O5 P Zn2 -","- H4 O20 P4 Zn8 -","4","1","","Kawahara, A.; Moritani, H.; Yamakawa, J.","LiNbO3, with anharmonic thermal vibration model","Mineralogical Journal","1994","17","","132","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","188685","2020-10-21","18:00:00",""
"1545194","23.445","0.003","26.734","0.003","28.033","0.004","90","","90","","90","","17570","4","80","2","80","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93.5 H186.96 N36.71 O45.36 P Pt6 -","- C93.5 H131.5 N36.71 O45.37 P Pt6 -","- C374 H526 N146.84 O181.48 P4 Pt24 -","4","1","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.2065","0.0742","","","0.1899","0.2604","","","","","","1.009","","","","has coordinates,has disorder","191208","2020-10-21","18:00:00",""
"1545213","12.0745","0.0003","23.3538","0.0007","5.9816","0.0002","90","","90","","90","","1686.72","0.09","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H49 N O6 -","- C40 H49 N O6 -","- C80 H98 N2 O12 -","2","0.5","","Huang, Xing-Hao; Tao, Ling-Xue; Ke, Chang-Qiang; Tang, Chunping; Zhang, Hai-Yan; Ye, Yang; Lin, Li-Gen; Yao, Sheng","Taxodikaloids A and B, Two Dimeric Abietane-Type Diterpenoids from Taxodium ascendens Possessing an Oxazoline Ring Linkage.","Organic letters","2017","19","3","556","559","10.1021/acs.orglett.6b03597","","","1.54184","CuKα","","0.0795","0.0733","","","0.2051","0.2116","","","","","","1.079","","","","has coordinates,has disorder","191305","2020-10-21","18:00:00",""
"1545412","10.888","0.0002","15.8264","0.0002","9.5461","0.0002","90","","90","","90","","1644.96","0.05","296","","296","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0384","0.038","","","0.1103","0.1108","","","","","","1.058","","","","has coordinates","193207","2020-10-21","18:00:00",""
"1545744","16.2146","0.001","22.561","0.0014","9.2044","0.0006","90","","90","","90","","3367.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H26 Cl5 D N3 O3 -","- C33 H26 Cl5 N3 O3 -","- C132 H104 Cl20 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1666","0.0981","","","0.2699","0.3119","","","","","","1.043","","","","has coordinates,has disorder","196175","2020-10-21","18:00:00",""
"1545931","16.2687","0.0009","22.872","0.0012","9.2415","0.0004","90","","90","","90","","3438.7","0.3","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C33 H27 Br2 Cl3 D N3 O3 -","- C33 H27 Br2 Cl3 N3 O3 -","- C132 H108 Br8 Cl12 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1337","0.0837","","","0.1888","0.2138","","","","","","1.074","","","","has coordinates","196065","2020-10-21","18:00:00",""
"1546123","19.296","0.0008","8.0943","0.0004","6.9478","0.0003","90","","90","","90","","1085.16","0.08","104.2","","104.2","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng","Bioactive Glycosides from the Twigs of Litsea cubeba.","Journal of natural products","2017","80","6","1808","1818","10.1021/acs.jnatprod.6b01189","","","1.5418","CuKα","","0.0371","0.0349","","","0.0907","0.0931","","","","","","1.066","","","","has coordinates","198420","2020-10-21","18:00:00",""
"1546441","11.8092","0.0004","22.5105","0.0007","8.1573","0.0003","90","","90","","90","","2168.46","0.13","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H32 N3 O6 P -","- C20 H32 N3 O6 P -","- C80 H128 N12 O24 P4 -","4","1","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0352","0.0339","","","0.0881","0.0891","","","","","","1.055","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546460","27.622","0.0004","19.968","0.0001","5.699","0.0005","90","","90","0.001","90","","3143.3","0.3","298","2","298","2","","","","","","","Hoya kerrii","3","P 21 21 2","P 2 2ab","18","kerriipregnane B 3-O-Î^2^-D-diginopyranoside acetate","","","- C31 H46 O10 -","- C31 H46 O10 -","- C124 H184 O40 -","4","1","","Seeka, Chonticha; Prabpai, Samran; Kongsaeree, Palangpon; Tewtrakul, Supinya; Lhinhatrakool, Thitima; Sutthivaiyakit, Somyote","Anti-inflammatory 12,20-Epoxypregnane and 11,12-seco-Pregnane Glycosides from the Stems of Hoya kerrii.","Journal of natural products","2017","80","6","1714","1724","10.1021/acs.jnatprod.6b00730","","x-ray","0.71073","MoKα","","0.0594","0.052","","","0.1346","0.1424","","","","","","1.043","","","","has coordinates","198375","2020-10-21","18:00:00",""
"1546780","12.91998","0.00013","18.73733","0.00015","7.59349","0.00007","90","","90","","90","","1838.28","0.03","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H29 F O2 -","- C21 H29 F O2 -","- C84 H116 F4 O8 -","4","1","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0493","0.0485","","","0.1309","0.1318","","","","","","1.027","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546946","13.8373","0.0006","35.4652","0.0015","9.5082","0.0004","90","","90","","90","","4666.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H68 N10 O5 S -","- C45 H68 N10 O5 S -","- C180 H272 N40 O20 S4 -","4","1","","Pulka-Ziach, Karolina; Sęk, Sławomir","α-Helicomimetic foldamers as electron transfer mediators","Nanoscale","2017","","","","","10.1039/C7NR05209J","","","1.54178","CuKα","","0.0802","0.0768","","","0.1738","0.1756","","","","","","1.246","","","","has coordinates,has disorder","200197","2020-10-21","18:00:00",""
"1547358","11.5449","0.0005","34.1483","0.0014","4.9573","0.0002","90","","90","","90","","1954.36","0.14","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0728","0.0481","","","0.0895","0.0982","","","","","","1.05","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547359","11.3495","0.0005","36.3258","0.0017","4.7864","0.0002","90","","90","","90","","1973.34","0.15","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C92 H88 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.035","0.0312","","","0.0754","0.0771","","","","","","1.089","","","","has coordinates,has disorder","202814","2020-10-21","18:00:00",""
"1547664","13.7185","0.0002","20.7124","0.0003","20.7597","0.0003","90","","90","","90","","5898.72","0.15","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H48 O3 -","- C29 H48 O3 -","- C232 H384 O24 -","8","2","","Wang, Chao; Huo, Xiao-Kui; Luan, Zhi-Lin; Cao, Fei; Tian, Xiang-Ge; Zhao, Xin-Yu; Sun, Cheng-Peng; Feng, Lei; Ning, Jing; Zhang, Bao-Jing; Ma, Xiao-Chi","Alismanin A, a Triterpenoid with a C34 Skeleton from Alisma orientale as a Natural Agonist of Human Pregnane X Receptor.","Organic letters","2017","19","20","5645","5648","10.1021/acs.orglett.7b02738","","x-ray","1.54184","CuKα","","0.1013","0.0966","","","0.2569","0.2612","","","","","","1.071","","","","has coordinates,has disorder","202820","2020-10-21","18:00:00",""
"1547668","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Lee, Young Eun; Reddy, Peddiahgari Vasu Govardhana; Dey, Sangeeta; Allen, Scott E.; Niederer, Kyle A.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Herling, Madison R.; Kozlowski, Marisa C.","Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles.","Organic letters","2017","19","20","5505","5508","10.1021/acs.orglett.7b02552","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","202830","2020-10-21","18:00:00",""
"1547778","15.5091","0.0005","15.7579","0.0006","7.3886","0.0003","90","","90","","90","","1805.71","0.12","123","","123","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20 Br N O2 S2 -","- C17 H20 Br N O2 S2 -","- C68 H80 Br4 N4 O8 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.068","","","","0.066","","","","","","1.012","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547940","16.1056","0.0005","18.6607","0.0005","5.7399","0.0002","90","","90","","90","","1725.08","0.09","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","68869-154-4","gene834","","- C22 H19 Cl -","- C22 H19 Cl -","- C88 H76 Cl4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0393","0.034","","","0.0785","0.0812","","","","","","1.055","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1548152","37.2006","0.0003","12.80126","0.00012","7.46127","0.00007","90","","90","","90","","3553.17","0.06","100","2","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H20 F9 N12 Na3 O4 -","- C26 H20 F9 N12 Na3 O4 -","- C104 H80 F36 N48 Na12 O16 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.038","0.0377","","","0.0983","0.0986","","","","","","1.114","","","","has coordinates,has disorder","204873","2020-10-21","18:00:00",""
"1548329","23.7764","0.0005","14.2049","0.0006","16.3214","0.0004","90","","90","","90","","5512.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H120 Au Br4 K O68 -","- C72 H120 Au Br4 K O68 -","- C144 H240 Au2 Br8 K2 O136 -","2","0.5","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.1097","0.1072","","","0.2817","0.2835","","","","","","1.129","","","","has coordinates","203814","2020-10-21","18:00:00",""
"1548533","15.0937","0.0012","17.6924","0.0014","9.6626","0.0008","90","","90","","90","","2580.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H41 O2 W0.5 -","- C27 H41 O2 W0.5 -","- C108 H164 O8 W2 -","4","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0311","0.0234","","","0.0487","0.0511","","","","","","1.06","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548864","24.2085","0.0003","16.0031","0.0002","8.8283","0.0001","90","","90","","90","","3420.18","0.07","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42.45 H36.9 Cl0.9 N O2 P -","- C42.4489 H36.8978 Cl0.8978 N O2 P -","- C169.796 H147.591 Cl3.5912 N4 O8 P4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0375","0.0358","","0.0949","0.0929","0.0949","","","","","","1.0024","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1549019","11.232","0.002","12.283","0.003","4.401","0.001","90","","90","","90","","607.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,2'-(Disulfanediyl)bis(pyridine <i>N</i>-oxide)‒hydrogen peroxide (1/1)","","- C10 H10 N2 O4 S2 -","- C10 H10 N2 O4 S2 -","- C20 H20 N4 O8 S4 -","2","0.5","HB4208","Lynch, Will; Padgett, Clifford W.","2,2′-Disulfanediylbis(pyridine N-oxide)‒hydrogen peroxide (1/1)","IUCrData","2018","3","3","","","10.1107/S2414314618003206","","","0.71075","MoKα","","0.0256","0.024","","","0.0584","0.059","","","","","","1.045","","","","has coordinates,has Fobs","206764","2020-10-21","18:00:00",""
"1549030","6.83018","0.00008","26.1293","0.0003","7.49108","0.00009","90","","90","","90","","1336.92","0.03","293","","293","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Zhang, Chen; Wen, Ran; Ma, Xiao-Li; Zeng, Ke-Wu; Xue, Yang; Zhang, Pu-Ming; Zhao, Ming-Bo; Jiang, Yong; Liu, Guo-Qing; Tu, Peng-Fei","Nitric Oxide Inhibitory Sesquiterpenoids and Its Dimers from Artemisia freyniana.","Journal of natural products","2018","","","","","10.1021/acs.jnatprod.7b00947","","x-ray","1.54184","CuKα","","0.0523","0.0456","","","0.1088","0.1169","","","","","","1.148","","","","has coordinates","206864","2020-10-21","18:00:00",""
"1549716","20.7206","0.0004","9.8606","0.0002","6.3486","0.0001","90","","90","","90","","1297.13","0.04","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","","Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J.","Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles.","Chemical science","2018","9","34","6969","6974","10.1039/c8sc01804a","","","1.54184","CuKα","","0.0378","0.0372","","0.1075","0.1067","0.1075","","","","","","0.9904","","","","has coordinates,has disorder","228846","2020-10-21","18:00:00",""
"1550182","21.316","0.004","29.316","0.006","12.6238","0.0019","90","","90","","90","","7889","2","109","2","108.9","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[3-H(OTf)]","","- C42.94 H37 F3 N2 O4.5 Ru2 S -","- C42.9405 H37 F3 N2 O4.5 Ru2 S -","- C343.524 H296 F24 N16 O36 Ru16 S8 -","8","2","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0252","0.0221","","","0.0495","0.0509","","","","","","1.0574","","","","has coordinates,has disorder","211770","2020-10-21","18:00:00",""
"1550242","21.316","0.004","29.316","0.006","12.6238","0.0019","90","","90","","90","","7889","2","109","2","108.9","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[3-H(OTf)]","","- C42.94 H37 F3 N2 O4.5 Ru2 S -","- C42.9405 H37 F3 N2 O4.5 Ru2 S -","- C343.524 H296 F24 N16 O36 Ru16 S8 -","8","2","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0252","0.0221","","","0.0495","0.0509","","","","","","1.0574","","","","has coordinates,has disorder","211982","2020-10-21","18:00:00",""
"1550308","19.3779","0.0019","14.5134","0.0016","13.085","0.002","90","","90","","90","","3680","0.8","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H47.5 B0.5 N2 O4.5 -","- C40 H47.5 B0.5 N2 O4.5 -","- C160 H190 B2 N8 O18 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","x-ray","0.71073","MoKα","","0.0944","0.0845","","","0.2081","0.2179","","","","","","1.0616","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550546","14.733","0.003","27.815","0.006","11.021","0.002","90","","90","","90","","4516.4","1.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H114 B2 Cd2 N6 Si2 -","- C93 H114 B2 Cd2 N6 Si2 -","- C186 H228 B4 Cd4 N12 Si4 -","2","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.7109","Synchrotron","","0.045","0.0424","","","0.1101","0.1119","","","","","","1.123","","","","has coordinates,has disorder","213486","2020-10-21","18:00:00",""
"1550709","43.3567","0.0017","43.6708","0.0016","14.0917","0.0006","90","","90","","90","","26681.5","1.8","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C216.5 H304.75 F6 K N48.25 O40 P Si8 -","- C216.5 H280 F6 K N48.25 O40 P Si8 -","- C866 H1120 F24 K4 N193 O160 P4 Si32 -","4","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1203","0.0972","","","0.2632","0.2889","","","","","","1.033","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550711","43.381","0.009","43.722","0.009","14.181","0.003","90","","90","","90","","26897","10","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C206.75 H280 N42 O42.75 Rb Si8 -","- C206.75 H280 N42 O42.75 Rb Si8 -","- C827 H1120 N168 O171 Rb4 Si32 -","4","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.41328","synchrotron","","0.1701","0.1474","","","0.3511","0.3615","","","","","","2.384","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1551532","34.9877","0.0014","23.3809","0.0014","18.8662","0.0005","90","","90","","90","","15433.4","1.2","93","","93","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H94 Cl2 N12 O11 -","- C60 H94 Cl2 N12 O11 -","- C480 H752 Cl16 N96 O88 -","8","2","","ASANO, Akiko; DOI, Mitsunobu","Crystal Structure of Gramicidin S Hydrochloride at 1.1 Å Resolution","X-ray Structure Analysis Online","2019","35","0","1","","10.2116/xraystruct.35.1","","","1.54184","CuKα","","0.1793","0.165","","","0.4007","0.4081","","","","","","2.756","","","","has coordinates","216142","2020-10-21","18:00:00",""
"1551970","11.4368","0.0014","11.7139","0.0014","10.7701","0.0013","90","","90","","90","","1442.9","0.3","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H8 F4 O2 -","- C6 H8 F4 O2 -","- C48 H64 F32 O16 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.028","0.0276","","","0.0701","0.0704","","","","","","1.09","","","","has coordinates","216734","2020-10-21","18:00:00",""
"1552057","14.0129","0.001","14.6036","0.001","4.7205","0.0003","90","","90","","90","","966","0.11","100","","100","","","","","","","","Synthesised.","5","P 21 21 2","P 2 2ab","18","Zinc(GlySer)2 H2O MeOH","Zinc(GlySer)2 H2O MeOH","","- C11.67 H26.67 N4 O10.67 Zn -","- C11.66 H26.64 N4 O10.66 Zn -","- C23.32 H53.28 N8 O21.32 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0586","0.0486","","","0.1197","0.1268","","","","","","1.045","","","","has coordinates,has disorder","216875","2020-10-21","18:00:00",""
"1552058","13.8742","0.0006","14.606","0.0007","4.7321","0.0002","90","","90","","90","","958.94","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlySer)0.5]2 H2O MeOH","","- C10.67 H18 N4 O7.97 Zn -","- C10.66 H18 N4 O7.96 Zn -","- C21.32 H36 N8 O15.92 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","","0.71073","MoKα","","0.072","0.0643","","","0.1779","0.1885","","","","","","1.137","","","","has coordinates,has disorder","216876","2020-10-21","18:00:00",""
"1552059","13.6542","0.0006","14.8585","0.0006","4.7251","0.0002","90","","90","","90","","958.63","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlyThr)0.5]2 H2O MeOH","","- C11.5 H18 N4 O8 Zn -","- C11.5 H18 N4 O8 Zn -","- C23 H36 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0505","0.0478","","","0.1339","0.1372","","","","","","1.068","","","","has coordinates,has disorder","216877","2020-10-21","18:00:00",""
"1552061","13.8808","0.001","14.6838","0.0011","4.7401","0.0003","90","","90","","90","","966.14","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12.43 H26.85 N4 O10 Zn -","- C12.426 H26.852 N4 O10 Zn -","- C24.852 H53.704 N8 O20 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.0512","0.0436","","","0.1088","0.113","","","","","","1.041","","","","has coordinates,has disorder","216879","2020-10-21","18:00:00",""
"1552062","11.151","0.012","14.586","0.016","4.837","0.005","90","","90","","90","","786.7","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10.42 H18.85 N4 O8 Zn -","- C10.42 H18.84 N4 O8 Zn -","- C20.84 H37.68 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.112","0.0901","","","0.2135","0.2303","","","","","","1.055","","","","has coordinates,has disorder","216880","2020-10-21","18:00:00",""
"1552105","7.0809","0.0001","16.7912","0.0003","6.5001","0.0001","90","","90","","90","","772.84","0.02","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Bis(2-methyllactato)borate tetrahydrate","3,3,8,8-Tetramethyl-1,4,6,9-tetraoxa-λ^4^-boraspiro[4.4]nonane-2,7-dione tetrahydrate","","- C8 H20 B O10 -","- C8 H20 B O10 -","- C16 H40 B2 O20 -","2","0.5","","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(2-methyllactato)borate tetrahydrate","IUCrData","2019","4","7","x190982","","10.1107/S2414314619009829","","","0.71073","MoKα","","0.0383","0.036","","","0.0917","0.0942","","","","","","1.081","","","","has coordinates,has Fobs","217014","2020-10-21","18:00:00",""
"1552605","23.6285","0.0002","16.4135","0.0001","5.7063","0.0001","90","","90","","90","","2213.05","0.05","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 2","P 2 2ab","18","","","","- C23.352 H22.704 Cl0.704 O8 -","- C23.352 H22.704 Cl0.704 O8 -","- C93.408 H90.816 Cl2.816 O32 -","4","1","","Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee","Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.","Journal of natural products","2019","82","1","101","110","10.1021/acs.jnatprod.8b00794","","x-ray","1.54184","CuKα","","0.0425","0.0414","","0.1131","0.1118","0.1131","","","","","","1.0009","","","","has coordinates","222127","2020-10-21","18:00:00",""
"1552666","19.8206","0.0004","9.5646","0.0002","8.439","0.0002","90","","90","","90","","1599.83","0.06","123","","123","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Reinhardt, Jakob K.; Klemd, Amy M.; Danton, Ombeline; De Mieri, Maria; Smieško, Martin; Huber, Roman; Bürgi, Thomas; Gründemann, Carsten; Hamburger, Matthias","Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity.","Journal of natural products","2019","82","6","1424","1433","10.1021/acs.jnatprod.8b00791","","","1.34143","GaKα","","0.0279","0.0267","","0.0313","0.0295","0.0294","","","","","","1.1151","","","","has coordinates","222191","2020-10-21","18:00:00",""
"1552667","22.2561","0.0009","16.0137","0.0005","8.7122","0.0003","90","","90","","90","","3105.05","0.19","107","1","107","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C33 H44 O9 -","- C33 H44 O9 -","- C132 H176 O36 -","4","1","","Zhang, Jinyu; Li, Yumei; Ren, Fengxia; Zhang, Yang; Liu, Xingzhong; Liu, Ling; Che, Yongsheng","Phomanolides C-F from a Phoma sp.: Meroterpenoids Generated via Hetero-Diels-Alder Reactions.","Journal of natural products","2019","82","6","1678","1685","10.1021/acs.jnatprod.9b00281","","x-ray","1.54184","CuKα","","0.0577","0.0495","","","0.1192","0.1257","","","","","","1.026","","","","has coordinates,has disorder","222192","2020-10-21","18:00:00",""
"1552671","20.552","0.004","24.959","0.004","6.0646","0.0009","90","","90","","90","","3110.9","0.9","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H48 N2 O6 -","- C30 H48 N2 O6 -","- C120 H192 N8 O24 -","4","1","","Feng, Li; Wang, Jia; Liu, Shuai; Zhang, Xue-Jia; Bi, Qi-Rui; Hu, Yan-Yun; Wang, Zhe; Tan, Ning-Hua","Colletopeptides A-D, Anti-inflammatory Cyclic Tridepsipeptides from the Plant Endophytic Fungus Colletotrichum sp. S8.","Journal of natural products","2019","82","6","1434","1441","10.1021/acs.jnatprod.8b00829","","","1.54178","CuKα","","0.0543","0.0411","","","0.0943","0.1017","","","","","","1.036","","","","has coordinates","222196","2020-10-21","18:00:00",""
"1552917","18.2211","0.001","18.9776","0.001","11.15","0.0006","90","","90","","90","","3855.6","0.4","200","1","200","1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C136 H124 Au4 Cl16 F12 N16 O12 S12 -","4","1","","Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi","Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes.","Metallomics : integrated biometal science","2020","12","1","104","113","10.1039/c9mt00232d","","","0.71073","MoKα","","0.0401","0.0274","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","247764","2020-10-21","18:00:00",""
"1552942","27.9421","0.0002","14.47187","0.00013","7.75513","0.00006","90","","90","","90","","3135.98","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H51 N5 O7 -","- C31 H51 N5 O7 -","- C124 H204 N20 O28 -","4","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","x-ray","1.54184","CuKα","","0.0358","0.035","","","0.0934","0.0946","","","","","","1.03","","","","has coordinates","231090","2020-10-21","18:00:00",""
"1552957","11.7721","0.0005","14.2054","0.0006","6.1836","0.0003","90","","90","","90","","1034.07","0.08","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle Salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L.","3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.","Analytical chemistry","2017","89","8","4405","4408","10.1021/acs.analchem.7b00443","","x-ray","1.54178","CuKα","","0.0185","0.0182","","","0.0418","0.042","","","","","","1.075","","","","has coordinates","231208","2020-10-21","18:00:00",""
"1552958","11.7708","0.0004","14.2037","0.0005","6.1841","0.0002","90","","90","","90","","1033.91","0.06","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle Salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L.","3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.","Analytical chemistry","2017","89","8","4405","4408","10.1021/acs.analchem.7b00443","","x-ray","1.54178","CuKα","","0.0185","0.018","","","0.0405","0.0407","","","","","","1.066","","","","has coordinates","231208","2020-10-21","18:00:00",""
"1552969","13.1215","0.0007","11.0922","0.0005","9.3453","0.0004","90","","90","","90","","1360.17","0.11","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C37 H26 O4 -","- C37 H26 O4 -","- C74 H52 O8 -","2","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.0843","0.0499","","","0.0969","0.1177","","","","","","1.015","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1553312","15.7364","0.001","19.8524","0.0013","11.454","0.0007","90","","90","","90","","3578.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C35 H44 O12 -","- C35 H44 O12 -","- C140 H176 O48 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Neyts, Johan; Leyssen, Pieter; Touboul, David; Litaudon, Marc; Paolini, Julien","Isolation of Premyrsinane, Myrsinane, and Tigliane Diterpenoids from Euphorbia pithyusa Using a Chikungunya Virus Cell-Based Assay and Analogue Annotation by Molecular Networking.","Journal of natural products","2017","80","7","2051","2059","10.1021/acs.jnatprod.7b00233","","","1.54187","CuKα","","0.2189","0.0604","","","0.0566","0.0817","","","","","","0.885","","","","has coordinates","234090","2020-10-21","18:00:00",""
"1553322","11.3606","0.0003","13.5941","0.0004","9.1502","0.0002","90","","90","","90","","1413.13","0.06","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Xie, Shuangshuang; Wu, Ye; Qiao, Yuben; Guo, Yi; Wang, Jianping; Hu, Zhengxi; Zhang, Qing; Li, Xiaonian; Huang, Jinfeng; Zhou, Qun; Luo, Zengwei; Liu, Junjun; Zhu, Hucheng; Xue, Yongbo; Zhang, Yonghui","Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A.","Journal of natural products","2018","81","6","1311","1320","10.1021/acs.jnatprod.7b00889","","","1.54178","CuKα","","0.0304","0.0303","","","0.0848","0.0849","","","","","","1.151","","","","has coordinates","234101","2020-10-21","18:00:00",""
"1553331","14.7901","0.0004","19.0871","0.0005","8.0499","0.0002","90","","90","","90","","2272.49","0.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C1.43 H1.43 O0.72 -","- C1.43284 H1.43284 O0.716418 -","- C96 H96 O48 -","67","16.75","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0355","0.0348","","","0.0982","0.0991","","","","","","1.1","","","","has coordinates","234114","2020-10-21","18:00:00",""
"1553339","10.775","0.003","20.705","0.005","9.606","0.002","90","","90","","90","","2143.1","0.9","296","","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Zhang, Chun-Yan; Zhang, Li-Jun; Lu, Zhi-Cheng; Ma, Chen-Yun; Ye, Ying; Rahman, Khalid; Zhang, Hong; Zhu, Jian-Yong","Antitumor Activity of Diterpenoids from Jatropha gossypiifolia: Cell Cycle Arrest and Apoptosis-Inducing Activity in RKO Colon Cancer Cells.","Journal of natural products","2018","81","8","1701","1710","10.1021/acs.jnatprod.7b01036","","","1.54178","CuKα","","0.1386","0.0699","","","0.1646","0.2127","","","","","","0.93","","","","has coordinates","234128","2020-10-21","18:00:00",""
"1553457","12.073","0.0019","18.008","0.003","10.7084","0.0015","90","","90","","90","","2328.1","0.6","199","2","199","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H26 Cl3 N2 O Ru -","- C22 H26 Cl2.5 N2 O Ru -","- C88 H104 Cl10 N8 O4 Ru4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0935","0.0548","","","0.1458","0.1765","","","","","","1.085","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553507","17.643","0.001","16.144","0.001","6.601","0.001","90","","90","","90","","1880.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","((3'S,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro[cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0652","0.0456","","","0.0939","0.1068","","","","","","1.036","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553574","9.8916","0.0007","26.4389","0.0019","7.7778","0.0006","90","","90","","90","","2034.1","0.3","133","2","133","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C19 H23 Br N O3 P -","- C19 H23 Br N O3 P -","- C76 H92 Br4 N4 O12 P4 -","4","1","","Wang, Xubin; Wang, Xiaoming; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Palladium-catalyzed asymmetric allylic amination: enantioselective synthesis of chiral α-methylene substituted β-aminophosphonates","Organic Chemistry Frontiers","2017","4","2","271","","10.1039/C6QO00597G","","","0.71073","MoKα","","0.0629","0.0454","","","0.1077","0.1145","","","","","","1.092","","","","has coordinates","235157","2020-10-21","18:00:00",""
"1553785","23.66","0.002","10.2673","0.001","10.5398","0.001","90","","90","","90","","2560.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H25 F3 N O S -","- C26 H25 F3 N O S -","- C104 H100 F12 N4 O4 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0783","0.0617","","","0.1818","0.195","","","","","","1.098","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553795","22.0623","0.0004","14.5144","0.0003","5.67392","0.0001","90","","90","","90","","1816.91","0.06","294.08","0.1","294.08","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 Br O6 -","- C19 H19 Br O6 -","- C76 H76 Br4 O24 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Ge, Shulin; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of chromans via the Friedel‒Crafts alkylation‒hemiketalization catalysed by an N,N′-dioxide scandium(iii) complex","Organic Chemistry Frontiers","2017","4","8","1647","","10.1039/C7QO00323D","","x-ray","1.54184","CuKα","","0.0429","0.042","","","0.1027","0.1042","","","","","","1.071","","","","has coordinates","236039","2020-10-21","18:00:00",""
"1553964","14.839","0.004","17.596","0.004","8.652","0.002","90","","90","","90","","2259.1","1","173","2","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H27 Br O3 -","- C26 H27 Br O3 -","- C104 H108 Br4 O12 -","4","1","","Li, Shoulei; Liu, Bin; Chen, Li; Li, Xin; Cheng, Jin-Pei","N-Heterocyclic carbene promoted enantioselective desymmetrization reaction of diarylalkane-bisphenols","Organic Chemistry Frontiers","2018","5","7","1101","","10.1039/C7QO01083D","","","0.71073","MoKα","","0.055","0.048","","","0.0846","0.0877","","","","","","1.101","","","","has coordinates","236210","2020-10-21","18:00:00",""
"1554503","21.2879","0.0007","7.5138","0.0004","11.5723","0.0006","90","","90","","90","","1851.02","0.15","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Shoji, Taku; Araki, Takanori; Iida, Nanami; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Okujima, Tetsuo","Synthesis of azulenophthalimides by phosphine-mediated annulation of 1,2-diformylazulenes with maleimides","Organic Chemistry Frontiers","2019","6","2","195","","10.1039/C8QO01121D","","","0.71075","MoKα","","0.0612","0.0492","","","0.1036","0.1087","","","","","","1.028","","","","has coordinates","237295","2020-10-21","18:00:00",""
"1555219","11.4574","0.0002","24.0028","0.0004","9.1294","0.0001","90","","90","","90","","2510.67","0.07","165","","165","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32.5 H26 N2 O3.5 -","- C32.5 H26 N2 O3.5 -","- C130 H104 N8 O14 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","1.54187","CuKα","","0.1111","0.0853","","","0.2206","0.2499","","","","","","1.136","","","","has coordinates","238399","2020-10-21","18:00:00",""
"1555220","11.1679","0.0002","24.1852","0.0005","9.1499","0.0002","90","","90","","90","","2471.37","0.09","90","","90","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0599","0.0461","","","0.0968","0.1038","","","","","","1.075","","","","has coordinates","238400","2020-10-21","18:00:00",""
"1555405","25.273","0.003","6.4369","0.0009","12.9596","0.0018","90","","90","","90","","2108.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Liu, Hua-Chao; Liu, Kang; Xue, Zhi-Yong; He, Zhao-Lin; Wang, Chun-Jiang","Silver(I)-Catalyzed Enantioselective Desymmetrization of Cyclopentenediones: Access to Highly Functionalized Bicyclic Pyrrolidines.","Organic letters","2015","17","21","5440","5443","10.1021/acs.orglett.5b02810","","","0.71073","MoKα","","0.0722","0.0535","","","0.1133","0.1238","","","","","","0.987","","","","has coordinates","238622","2020-10-21","18:00:00",""
"1555527","11.42","0.0006","19.1624","0.001","9.3685","0.0009","90","","90","","90","","2050.2","0.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H33 N O5 -","- C21 H33 N O5 -","- C84 H132 N4 O20 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0407","0.04","","","0.0987","0.0994","","","","","","1.113","","","","has coordinates,has disorder","238852","2020-10-21","18:00:00",""
"1555552","15.3345","0.0015","17.4841","0.0018","6.9026","0.0006","90","","90","","90","","1850.7","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H9 Cl N4 O -","- C8 H9 Cl N4 O -","- C64 H72 Cl8 N32 O8 -","8","2","","Sun, Huan-Li; Chen, Fei; Xie, Ming-Sheng; Guo, Hai-Ming; Qu, Gui-Rong; He, Yan-Mei; Fan, Qing-Hua","Asymmetric Hydrogenation of α-Purine Nucleobase-Substituted Acrylates with Rhodium Diphosphine Complexes: Access to Tenofovir Analogues.","Organic letters","2016","18","9","2260","2263","10.1021/acs.orglett.6b00869","","","0.71073","MoKα","","0.0318","0.0315","","","0.0821","0.0823","","","","","","1.119","","","","has coordinates","238888","2020-10-21","18:00:00",""
"1556260","10.5277","0.0003","18.7745","0.0006","16.6567","0.0007","90","","90","","90","","3292.2","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Zhang, Shanwen; Xie, Qing; Sun, Changli; Tian, Xin-Peng; Gui, Chun; Qin, Xiangjing; Zhang, Hua; Ju, Jianhua","Cytotoxic Kendomycins Containing the Carbacylic <i>Ansa</i> Scaffold from the Marine-Derived <i>Verrucosispora</i> sp. SCSIO 07399.","Journal of natural products","2019","","","","","10.1021/acs.jnatprod.9b00654","","x-ray","1.54184","CuKα","","0.0703","0.0593","","","0.1683","0.1776","","","","","","1.086","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1556569","22.86913","0.00011","10.48269","0.00004","8.06194","0.00003","90","","90","","90","","1932.69","0.014","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C40 H70 O13 -","- C40 H70 O13 -","- C80 H140 O26 -","2","0.5","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","x-ray","1.54184","CuKα","","0.0259","0.0258","","","0.0688","0.0688","","","","","","1.041","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556907","30.4605","0.0006","11.6596","0.0002","6.1159","0.0001","90","","90","","90","","2172.11","0.07","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C92 H96 N8 O20 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0386","0.0362","","","0.0887","0.0904","","","","","","1.073","","","","has coordinates,has disorder","250231","2020-10-21","18:00:00",""
"1557882","31.3214","0.0009","17.9026","0.0007","12.675","0.0006","90","","90","","90","","7107.3","0.5","100","6","100","6","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C54 H75 N9 O13 -","- C54 H75 N9 O13 -","- C216 H300 N36 O52 -","4","1","","Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying","Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00151","","x-ray","1.54184","CuKα","","0.0796","0.0576","","","0.1587","0.1727","","","","","","1.026","","","","has coordinates","251097","2020-10-21","18:00:00",""
"1557883","26.0693","0.0002","25.2634","0.0002","19.77155","0.00018","90","","90","","90","","13021.5","0.19","100","8","100","8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C54 H75 N9 O13 -","- C54 H75 N9 O13 -","- C432 H600 N72 O104 -","8","2","","Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying","Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00151","","","1.54184","CuKα","","0.0596","0.0494","","","0.1273","0.1335","","","","","","1.008","","","","has coordinates,has disorder","251098","2020-10-21","18:00:00",""
"1558568","14.5716","0.0003","30.3441","0.0007","12.135","0.0003","90","","90","","90","","5365.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C232 H320 O80 -","8","2","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0448","0.0398","","","0.0998","0.1041","","","","","","0.958","","","","has coordinates,has disorder","254778","2020-10-21","18:00:00",""
"1558879","12.7945","0.0018","26.092","0.004","11.4869","0.0016","90","","90","","90","","3834.7","1","297","2","297","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C160 H256 O32 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0679","0.0539","","","0.1447","0.1565","","","","","","1.056","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558891","7.1184","0.0008","28.602","0.003","5.6452","0.0007","90","","90","","90","","1149.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione hemihydrate","","- C10 H15 N2 O6.5 -","- C10 H15 N2 O6.5 -","- C40 H60 N8 O26 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0314","0.0309","","","0.0809","0.0814","","","","","","1.109","","","","has coordinates","255565","2020-10-21","18:00:00",""
"1559227","12.1733","0.0005","13.4935","0.0009","14.5012","0.0009","90","","90","","90","","2382","0.2","","","105","","","","","","","","","3","P 21 21 2","P 2 2ab","18","Isoethuliacoumarin A","","","- C25 H30 O6 -","- C25 O6 -","- C100 O24 -","4","1","","Larsen, I. Kjoller; Lemmich, E.; Thiilborg, S. T.; Nielsen, H. M.; Piedade, Fatima M.; Kady, M. M.; Christensen, S. Brogger","The Absolute and Relative Configuration of the Molluscicides Ethuliacoumarin A and Isoethuliacoumarin A","Acta Chemica Scandinavica","1992","46","","750","756","10.3891/acta.chem.scand.46-0750","","x-ray","1.5418","CuKα","","","0.05","","","0.073","","","","","","","","","","","has coordinates","256861","2020-10-21","18:00:00",""
"1559507","28.0904","0.0007","6.9424","0.0002","11.1265","0.0003","90","","90","","90","","2169.83","0.1","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C104 H128 O20 -","4","1","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.038","0.0354","","","0.0922","0.0944","","","","","","1.04","","","","has coordinates","259527","2020-12-04","02:26:11",""
"1559787","34.8531","0.0017","45.172","0.002","20.9243","0.001","90","","90","","90","","32943","3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H521 Ce4 Mo124 N16 Na3 O616 -","- C36 H60 Ce4 Mo124 N16 O512.6 -","- C72 H120 Ce8 Mo248 N32 O1025.2 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0891","0.0593","","","0.1424","0.1622","","","","","","1.028","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559788","34.884","0.005","45.668","0.006","20.929","0.003","90","","90","","90","","33342","8","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H531 Ce4 Mo124 N16 Na3 O617 -","- C36 H60 Ce4 Mo124 N16 O486.4 -","- C72 H120 Ce8 Mo248 N32 O972.8 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0959","0.0686","","","0.1726","0.2051","","","","","","1.093","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559790","34.6572","0.0014","45.43","0.0018","20.9741","0.0008","90","","90","","90","","33023","2","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C40 H516 Ce4 Mo124 N20 Na2 O610 -","- C32 H52 Ce4 Mo124 N16 O452 -","- C64 H104 Ce8 Mo248 N32 O904 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0336","0.0285","","","0.0678","0.0714","","","","","","1.022","","","","has coordinates","267090","2021-07-05","16:56:20",""
"1559806","20.7302","0.0008","27.0653","0.0011","8.4653","0.0004","90","","90","","90","","4749.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H40 O3 -","- C25 H40 O3 -","- C200 H320 O24 -","8","2","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.1207","0.063","","","0.1285","0.1516","","","","","","1.033","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559858","17.5213","0.0007","20.1284","0.0007","12.3444","0.0005","90","","90","","90","","4353.6","0.3","193","","193","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H55 B2 N3 Ni O4 P2 -","- C36 H55 B2 N3 Ni O4 P2 -","- C144 H220 B8 N12 Ni4 O16 P8 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0479","0.0377","","","0.0884","0.0931","","","","","","1.005","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1560205","23.069","0.0011","24.5839","0.0012","9.5501","0.0004","90","","90","","90","","5416.1","0.4","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H56 F9 N4 O16 S3 Yb -","- C38 H56 F9 N4 O16 S3 Yb -","- C152 H224 F36 N16 O64 S12 Yb4 -","4","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","0.71073","MoKα","","0.0222","0.0215","","","0.0565","0.0572","","","","","","1.125","","","","has coordinates,has disorder","263714","2021-04-05","14:29:42",""
"1561201","20.869","0.006","11.705","0.003","14.449","0.004","90","","90","","90","","3529.5","1.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H28 Cu F6 N12 O8 -","- C32 H28 Cu F6 N12 O8 -","- C128 H112 Cu4 F24 N48 O32 -","4","1","","Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties","Journal of Solid State Chemistry","2018","259","","19","27","10.1016/j.jssc.2017.12.029","","","0.71073","MoKα","","0.0982","0.0616","","","0.1355","0.1564","","","","","","1.027","","","","has coordinates","263246","2021-03-23","08:42:22",""
"1561221","12.534","0.003","6.5368","0.0013","8.5337","0.0017","90","","90","","90","","699.2","0.3","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H12 N10 O4 Zn -","- C8 H12 N10 O4 Zn -","- C16 H24 N20 O8 Zn2 -","2","0.5","","Zhai, Chun; Yang, Zhan Yong; Xu, Duo; Wang, Zhi Kang; Hao, Xin Yu; Shi, Yu Jie; Yang, Gao Wen; Li, Qiao Yun","pH dependent synthesis of two zinc(II) compounds derived from 5-aminotetrazole-1-isopropanoic acid for treatment of cancer cells","Journal of Solid State Chemistry","2018","258","","156","162","10.1016/j.jssc.2017.10.013","","","0.71073","MoKα","","0.0305","0.0297","","","0.0809","0.0815","","","","","","1.003","","","","has coordinates","263258","2021-03-23","10:41:16",""
"1561398","37.196","0.004","4.8441","0.0004","5.584","0.0004","90","","90","","90","","1006.13","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","0.5","BT4110","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Baashen, Mohammed A.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","IUCrData","2021","6","3","x210314","","10.1107/S241431462100314X","","","1.54184","CuKα","","0.0912","0.0624","","","0.1523","0.1715","","","","","","1.046","","","","has coordinates,has Fobs","263512","2021-04-01","05:32:34",""
"1562204","5.2312","0.001","5.055","0.001","8.8079","0.0018","90","","90","","90","","232.91","0.08","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Co Mo O6 Te -","- Co Mo O6 Te -","- Co2 Mo2 O12 Te2 -","2","0.5","","Mączka, Mirosław; Hermanowicz, Krzysztof; Majchrowski, Andrzej; Kroenke, Łukasz; Pietraszko, Adam; Ptak, Maciej","Growth and characterization of nonlinear optical telluromolybdate CoTeMoO 6 single crystals","Journal of Solid State Chemistry","2014","220","","142","148","10.1016/j.jssc.2014.08.023","","","0.71073","MoKα","","0.0445","0.0437","","","0.1","0.1003","","","","","","1.44","","","","has coordinates","264632","2021-04-28","08:21:54",""
"1562205","5.2427","0.001","5.0621","0.0011","8.8464","0.0018","90","","90","","90","","234.78","0.08","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Co Mo O6 Te -","- Co Mo O6 Te -","- Co2 Mo2 O12 Te2 -","2","0.5","","Mączka, Mirosław; Hermanowicz, Krzysztof; Majchrowski, Andrzej; Kroenke, Łukasz; Pietraszko, Adam; Ptak, Maciej","Growth and characterization of nonlinear optical telluromolybdate CoTeMoO 6 single crystals","Journal of Solid State Chemistry","2014","220","","142","148","10.1016/j.jssc.2014.08.023","","","0.71073","MoKα","","0.0426","0.0416","","","0.0929","0.0935","","","","","","1.223","","","","has coordinates","264632","2021-04-28","08:21:55",""
"1562749","12.1025","0.0003","16.7657","0.0004","7.1219","0.0002","90","","90","","90","","1445.08","0.06","140","","140","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0318","0.031","","","0.0832","0.0839","","","","","","1.076","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1563355","24.65475","0.00012","20.81653","0.00009","8.55464","0.00004","90","","90","","90","","4390.47","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H32 N2 O2 S -","- C25 H32 N2 O2 S -","- C200 H256 N16 O16 S8 -","8","2","","Zhu, Xin-Qi; Hong, Pan; Zheng, Yan-Xin; Zhen, Ying-Ying; Hong, Feng-Lin; Lu, Xin; Ye, Long-Wu","Copper-catalyzed asymmetric cyclization of alkenyl diynes: method development and new mechanistic insights","Chemical Science","2021","","","","","10.1039/D1SC02773E","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0702","0.0707","","","","","","0.983","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1563592","10.349","0.0002","43.8716","0.0009","7.7286","0.0002","90","","90","","90","","3508.99","0.13","170","2","170.02","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C39 H50 O7 -","- C39 H50 O7 -","- C156 H200 O28 -","4","1","","Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min","Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC02710G","","","1.34139","GaKα","","0.0416","0.0384","","","0.0971","0.0998","","","","","","1.013","","","","has coordinates","266581","2021-06-20","00:47:31",""
"1563820","10.9212","0.0003","25.0232","0.0009","12.2054","0.0004","90","","90","","90","","3335.53","0.19","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H40 N2 O8 Ti -","- C36 H40 N2 O8 Ti -","- C144 H160 N8 O32 Ti4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0303","0.0252","","","0.0611","0.0631","","","","","","1.006","","","","has coordinates","266846","2021-07-01","07:01:07",""
"1563842","18.158","0.006","9.728","0.004","9.402","0.004","90","","90","","90","","1660.8","1.1","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H26 Cl N2 O4 P Pd -","- C10 H26 Cl N2 O4 P Pd -","- C40 H104 Cl4 N8 O16 P4 Pd4 -","4","1","","Skarżyńska, Anna; Gniewek, Andrzej","From bidentate H-spirophosporane ligand to tridentate phosphonate ligand in palladium chemistry","Inorganica Chimica Acta","2018","483","","248","251","10.1016/j.ica.2018.08.033","","","0.71073","MoKα","","0.0511","0.0474","","","0.118","0.1198","","","","","","1.034","","","","has coordinates","266863","2021-07-01","08:42:54",""
"1564538","24.6363","0.0015","16.8157","0.0008","10.0197","0.0004","90","","90","","90","","4150.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","'2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-phenylpropanoate propan-1-ol solvate'","","- C19.8 H24.8 N2 O3.6 -","- C19.8 H24.8 N2 O3.6 -","- C158.4 H198.4 N16 O28.8 -","8","2","","Chaker, Ziyad; Chervy, Pierre; Boulard, Yves; Bressanelli, Stéphane; Retailleau, Pascal; Paternostre, Maité; Charpentier, Thibault","Systematic Method for the Exploration, Representation, and Classification of the Diphenylalanine Solvatomorphic Space.","The journal of physical chemistry. B","2021","125","33","9454","9466","10.1021/acs.jpcb.1c04203","","x-ray","0.71073","MoKα","","0.11","0.0854","","","0.239","0.266","","","","","","1.03","","","","has coordinates","268461","2021-09-04","01:21:22",""
"1564600","17.8982","0.0005","41.8156","0.0012","5.6166","0.0002","90","","90","","90","","4203.6","0.2","120","2","120","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C47 H64.5 Cl0.5 N6 -","- C47 H64.5 Cl0.5 N6 -","- C188 H258 Cl2 N24 -","4","1","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","1.54178","CuKα","","0.0678","0.0616","","","0.1566","0.1612","","","","","","1.091","","","","has coordinates,has disorder","269067","2021-09-09","22:16:20",""
"1565508","23.336","0.002","25.356","0.003","6.3309","0.0007","90","","90","","90","","3746","0.7","170","","170","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C40 H62 O9 -","- C40 H62 O9 -","- C160 H248 O36 -","4","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.1413","0.0842","","","0.1982","0.2301","","","","","","0.967","","","","has coordinates,has disorder","271085","2021-12-04","01:28:25",""
"1565521","15.0046","0.0003","30.297","0.0005","6.7685","0.0001","90","","90","","90","","3076.92","0.09","273.15","","273.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","AT2911_Re_A1","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","2","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0336","0.0318","","","0.081","0.0826","","","","","","1.026","","","","has coordinates","271099","2021-12-04","01:33:37",""
"1565735","20.518","0.004","9.241","0.002","15.071","0.003","90","","90","","90","","2857.6","1","173","2","173.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H34 Co N4 O6 -","- C28 H34 Co N4 O6 -","- C112 H136 Co4 N16 O24 -","4","1","","Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.","Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies","Inorganica Chimica Acta","2019","498","","119087","","10.1016/j.ica.2019.119087","","","0.71073","MoKα","","0.138","0.1025","","","0.2582","0.28","","","","","","1.045","","","","has coordinates,has disorder","271388","2021-12-14","09:31:44",""
"1566082","15.7659","0.0006","15.7712","0.0005","21.2815","0.0007","90","","90","","90","","5291.6","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21.99 H35.67 Co N10 -","- C21.9867 H35.665 Co N10.0016 -","- C175.893 H285.32 Co8 N80.0132 -","8","2","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","","1.54178","CuKα","","0.1507","0.1093","","","0.2309","0.2542","","","","","","1.039","","","","has coordinates,has disorder","272167","2022-01-20","23:12:47",""
"1566083","15.7971","0.0007","15.8093","0.0009","21.4138","0.0011","90","","90","","90","","5347.9","0.5","240","","240","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22.01 H35.86 Fe N10 -","- C22.0066 H35.8681 Fe N10 -","- C176.053 H286.945 Fe8 N80 -","8","2","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","","1.54178","CuKα","","0.1405","0.1063","","","0.2999","0.3279","","","","","","1.048","","","","has coordinates,has disorder","272167","2022-01-20","23:12:47",""
"1566405","15.0488","0.0007","25.2228","0.0012","8.6864","0.0004","90","","90","","90","","3297.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H34 O8 -","- C38 H34 O8 -","- C152 H136 O32 -","4","1","","Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin","Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes","Chemical Science","2022","","","","","10.1039/D1SC06364B","","","1.54178","CuKα","","0.0271","0.0271","","","0.071","0.071","","","","","","1.062","","","","has coordinates","273131","2022-02-23","23:10:16",""
"1567229","6.1423","0.0003","23.2488","0.0014","4.0149","0.0002","90","","90","","90","","573.33","0.05","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H8 F2 O2 -","- C14 H8 F2 O2 -","- C28 H16 F4 O4 -","2","0.5","","Divya, Indira S.; Saravanan, Kandasamy; Haseba, Shodai; Sasaki, Toshiyuki; Koshima, Hideko; Wozniak, Krzysztof; Varughese, Sunil","Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending","Chemical Science","2022","","","","","10.1039/D2SC02969C","","","0.71073","MoKα","","0.0598","0.0411","","","0.0944","0.1053","","","","","","1.117","","","","has coordinates","276575","2022-07-05","22:08:19",""
"1568124","13.6795","0.0003","17.7174","0.0003","9.9143","0.0002","90","","90","","90","","2402.88","0.08","179.99","0.1","179.99","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H36 Br2 Eu N2 O6 -","- C18 H36 Br2 Eu N2 O6 -","- C72 H144 Br8 Eu4 N8 O24 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0218","0.0196","","","0.0382","0.0387","","","","","","1.01","","","","has coordinates","281623","2023-03-04","18:51:23",""
"1568454","14.3154","0.0003","26.4615","0.0006","6.2605","0.0002","90","","90","","90","","2371.52","0.11","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C25 H28 B F4 N O2 -","- C25 H28 B F4 N O2 -","- C100 H112 B4 F16 N4 O8 -","4","1","","Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng","Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes","Chemical Science","2023","14","9","2342","2347","10.1039/D2SC06472C","","","1.54178","CuKα","","0.0399","0.0395","","","0.1032","0.1038","","","","","","1.066","","","","has coordinates,has disorder","281387","2023-03-04","18:01:48",""
"1568687","14.2116","0.0014","19.3311","0.0019","9.9202","0.0009","90","","90","","90","","2725.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27.5 H35 N O2 Si -","- C27.5 H35 N O2 Si -","- C110 H140 N4 O8 Si4 -","4","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0722","0.0542","","","0.1481","0.1602","","","","","","1.025","","","","has coordinates","283182","2023-05-05","01:10:54",""
"1568892","10.4362","0.0004","22.443","0.0008","18.2762","0.0007","90","","90","","90","","4280.6","0.3","230","0.1","230","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36.5 H31 Cl3 F6 N2 O9 S2 -","- C35.8285 H30.172 Cl1.657 F6 N2 O9 S2 -","- C143.314 H120.688 Cl6.628 F24 N8 O36 S8 -","4","1","","Pham, Quoc Hoang; Tague, Andrew J.; Richardson, Christopher; Gardiner, Michael G.; Pyne, Stephen G.; Hyland, Christopher J. T.","Palladium-catalysed enantio- and regioselective (3 + 2) cycloaddition reactions of sulfamidate imine-derived 1-azadienes towards spirocyclic cyclopentanes.","Chemical science","2023","14","18","4893","4900","10.1039/d3sc01510f","","x-ray","0.71073","MoKα","","0.0876","0.0636","","","0.1717","0.1937","","","","","","1.032","","","","has coordinates,has disorder","284232","2023-06-05","04:06:37",""
"1569085","24.891","0.002","7.3061","0.0007","11.7772","0.0011","90","","90","","90","","2141.8","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","ndi-cd-water","","- C40 H30 Cd N4 O19 -","- C40 H30 Cd N4 O19 -","- C80 H60 Cd2 N8 O38 -","2","0.5","","Hussain, Wajid; Khan, Maroof Ahmad; Li, Zhongkui; Iqbal, Muhammad Javed; Ilyas, Mubashar; Li, Hui","The Electronic Properties of Cadmium Naphthalene Diimide Coordination Complex","Molecules","2023","28","9","3709","","10.3390/molecules28093709","","","0.71073","MoKα","","0.0326","0.0305","","","0.0803","0.0822","","","","","","1.027","","","","has coordinates,has disorder","283559","2023-05-06","01:40:49",""
"1569731","13.5549","0.0015","18.4613","0.0018","8.6468","0.0009","90","","90","","90","","2163.8","0.4","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C58 H44 P2 -","- C58 H44 P2 -","- C116 H88 P4 -","2","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0873","0.0598","","","0.147","0.1638","","","","","","1.027","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1570229","26.056","0.003","20.996","0.003","17.747","0.002","90","","90","","90","","9709","2","100","2","100.01","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Co4 Fe2 Na14 O97 W18 -","- Co4 Fe2 Na14 O95 W18 -","- Co16 Fe8 Na56 O380 W72 -","4","1","","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","","0.1452","0.0934","","","0.241","0.2896","","","","","","1.032","","","","has coordinates","288749","2024-01-06","07:24:29",""
"1570254","12.4675","0.0009","21.6679","0.0015","9.6367","0.0006","90","","90","","90","","2603.3","0.3","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0393","0.0369","","","0.1008","0.1031","","","","","","1.045","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570261","12.2867","0.0014","21.497","0.003","9.6289","0.0011","90","","90","","90","","2543.3","0.5","173","2","172.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0282","0.0278","","","0.0728","0.0733","","","","","","1.086","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570409","17.9065","0.0003","15.4002","0.0003","7.3943","0.0001","90","","90","","90","","2039.08","0.06","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H20 Cl4 O7 S8 -","- C40 H20 Cl4 O7 S8 -","- C80 H40 Cl8 O14 S16 -","2","0.5","","Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang","NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.","Chemical science","2024","15","5","1692","1699","10.1039/d3sc03532h","","x-ray","1.3405","GaKα","","0.0592","0.0555","","","0.1774","0.1827","","","","","","1.07","","","","has coordinates","289400","2024-02-04","11:27:17",""
"1570704","13.6947","0.0012","23.467","0.002","5.2287","0.0006","90","","90","","90","","1680.4","0.3","100","0.5","100","0.5","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole","","- C9 H10 O Te -","- C9 H10 O Te -","- C72 H80 O8 Te8 -","8","2","HB4459","Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas","5,6-Dimethylbenzo[d][1,3]oxatellurole","IUCrData","2024","9","1","","","10.1107/S2414314623010763","","","0.56086","AgKα","","0.0424","0.033","","","0.0585","0.0609","","","","","","1.054","","","","has coordinates","288715","2024-01-06","02:46:18",""
"1571123","13.7518","0.0006","19.5095","0.001","4.7253","0.0003","90","","90","","90","","1267.75","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H20 N2 O4 Se -","- C32 H20 N2 O4 Se -","- C64 H40 N4 O8 Se2 -","2","0.5","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0451","0.0325","","","0.0558","0.0598","","","","","","1.043","","","","has coordinates","290305","2024-03-05","13:42:08",""
"1571335","25.8699","0.0002","14.53966","0.00015","7.44906","0.00008","90","","90","","90","","2801.89","0.05","100","0.11","100","0.11","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C136 H128 N16 -","8","2","","Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme","Axially-chiral boramidine for detailed (chir)optical studies.","Chemical science","2024","15","17","6530","6535","10.1039/d4sc00870g","","x-ray","1.54184","CuKα","","0.0301","0.0292","","","0.0752","0.0759","","","","","","1.074","","","","has coordinates","291558","2024-05-05","01:32:27",""
"1571359","24.616","0.0007","13.0934","0.0005","9.9979","0.0003","90","","90","","90","","3222.39","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C34 H37 N9 O4 -","- C34 H37 N9 O4 -","- C136 H148 N36 O16 -","4","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","","x-ray","1.54184","CuKα","","0.0468","0.042","","","0.1057","0.114","","","","","","1.116","","","","has coordinates,has disorder","290771","2024-04-04","00:51:19",""
"1571523","14.9504","0.0003","16.4998","0.0003","19.5731","0.0003","90","","90","","90","","4828.27","0.15","83","2","83","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C54 H121 N8 O49 V18 -","- C54 H121 N8 O49 V18 -","- C108 H242 N16 O98 V36 -","2","0.5","","Yoshida, Isshin; Kikukawa, Yuji; Mitsuhashi, Ryoji; Hayashi, Yoshihito","Reactivity Control of Nitrate-Incorporated Octadecavanadates by the Oxidation-State and Metal-Substitution","Nanoscale","2024","","","","","10.1039/D4NR01243G","","","0.71073","MoKα","","0.0424","0.0362","","","0.0977","0.102","","","","","","1.053","","","","has coordinates,has disorder","291450","2024-05-02","00:07:33",""
"2000366","13.327","0.005","19.277","0.008","6.361","0.002","90","","90","","90","","1634.2","1","","","","","","","","","","","","4","P 21 21 2","","","","","","- C17 H22 O3 S -","- C17 H21 O3 S -","- C68 H84 O12 S4 -","4","1","AL0533","Rambaud, J.; Pauvert, B.; Boussab, A.; Terol, A.; Chevallet, P.; Declercq, J.-P.","Structure of polymorph II of (1<i>R</i>,3<i>S</i>)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)cyclopentanecarboxylic acid","Acta Crystallographica Section C","1992","48","12","2174","2177","10.1107/S010827019200338X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000400","15.6464","0.0012","23.027","0.003","6.932","0.0008","90","","90","","90","","2497.5","0.5","","","","","","","","","","","","3","P 21 21 2","","","","","","- C16 H16 O2 -","- C16 H15.5 O2 -","- C128 H124 O16 -","8","2","HA0104","Jones, P. G.","9,10-Dihydrophenanthrene-4,5-dimethanol","Acta Crystallographica Section C","1992","48","12","2245","2247","10.1107/S0108270192003962","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001390","13.484","0.003","22.325","0.003","6.987","0.001","90","","90","","90","","2103.3","0.6","293","","","","","","","","","","","4","P 21 21 2","P 2 2ab","","","","","- C10 H8 N2 O6 -","- C10 H8 N2 O6 -","- C80 H64 N16 O48 -","8","2","CR1046","Ammon, H. L.; Bashir-Hashemi, A.","Structure of 2-methoxycarbonyl-1,4-dinitrocubane","Acta Crystallographica Section C","1993","49","9","1641","1643","10.1107/S0108270193001489","","","1.5418","CuKα","","","0.05","","","0.066","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001736","7","0.004","16.853","0.009","3.8986","0.0007","90","","90","","90","","459.9","0.4","300","","","","","","","","","","","3","P 21 21 2","P 2 2ab","","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C20 H20 N8 -","2","0.5","DU1007","Gourdon, A.","3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine","Acta Crystallographica Section C","1993","49","5","1011","1013","10.1107/S0108270192012460","","","0.71069","MoKα","","","0.026","","","0.026","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001773","10.52","0.006","13.442","0.006","8.996","0.005","90","","90","","90","","1272.1","1.2","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C2 H4 Na2 O7 P -","- C2 H4 Na2 O6.5 P -","- C16 H32 Na16 O52 P8 -","8","2","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001972","10.342","0.001","13.51","0.001","8.693","0.001","90","","90","","90","","1214.6","0.2","","","","","","","","","","","","5","P 21 21 2","","","","","","- C8 H32 Bi Cl7 N4 -","- C8 H32 Bi Cl7 N4 -","- C16 H64 Bi2 Cl14 N8 -","2","0.5","SE1009","Herdtweck, E.; Kreusel, U.","Structure of tetrakis(dimethylammonium) chloride hexachlorobismuthate(III), {[(CH~3~)~2~NH~2~]^+^}~4~.Cl^{‒^}.[BiCl~6~]^3{‒^}","Acta Crystallographica Section C","1993","49","2","318","320","10.1107/S0108270192007017","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003334","9.987","0.004","12.937","0.004","8.921","0.002","90","","90","","90","","1152.6","0.6","295","","","","","","","","","","benzene-acetic acid (9:1)","3","P 21 21 2","P 2 2ab","18","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","FG1008","Parvez, M.; Simion, D.; Lario, P.; Sorensen, T. S.","Absolute Configuration of (<i>S</i>,<i>S</i>)-1,2-Dihydro-1,2-<i>trans</i>-acenaphthylenedicarboxylic Acid","Acta Crystallographica Section C","1995","51","4","644","646","10.1107/S0108270194011480","","","0.71069","MoKα","","","0.0414","","","0.0457","","","","","1.97","1.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003480","11.332","0.006","22.406","0.011","5.783","0.003","90","","90","","90","","1468.3","1.3","","","85","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Cyclohexylammonium D-3-phosphoglycerate monohydrate","","- C9 H22 N O8 P -","- C9 H22 N O8 P -","- C36 H88 N4 O32 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","","0.0433","","","0.1037","","","","","1.061","1.061","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004031","17.067","0.007","8.425","0.003","9.597","0.004","90","","90","","90","","1379.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(3S,4R,7S,8R,9R)-4-methyl-7-(2-propyl)-4,5,6,7,8,9-hexahydro-2-oxo- 3-benzofuranoic acid","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","MU1174","Adovasio, V.; Nardelli, M.; Chelucci, G.; Saba, A.","Configuration and Conformation of (3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>)-4-Methyl-7-(2-propyl)-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-3-benzofurancarboxylic Acid","Acta Crystallographica Section C","1995","51","10","2166","2169","10.1107/S0108270195005361","","","1.54178","Cu-Kα","","0.0977","0.038","","0.1298","0.0891","","","","0.817","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004260","12.658","0.001","14.186","0.002","9.527","0.001","90","","90","","90","","1710.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","[2(E)-1-amino-3-dimethylamino-3-phenylpropen-1-ylidene]pentacarbonyl","","- C16 H14 Cr N2 O5 -","- C16 H14 Cr N2 O5 -","- C64 H56 Cr4 N8 O20 -","4","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0639","0.0405","","0.1055","0.092","","","","1.033","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004357","5.392","0.002","67.18","0.08","5.374","0.003","90","","90","","90","","1947","3","288","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H76 Br N -","- C36 H76 Br N -","- C72 H152 Br2 N2 -","2","0.5","BM1031","Nyburg, S. C.","Di-<i>n</i>-octadecylammonium Bromide","Acta Crystallographica Section C","1996","52","1","192","194","10.1107/S0108270195012777","","","1.54184","CuKα","","","0.109","","","0.114","","","","","8.22","8.22","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004702","12.552","0.003","19.18","0.003","9.997","0.002","90","","90","","90","","2406.8","0.8","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","octacaesium decatungstosilicate nonahydrate","","- Cs8 H18 O43 Si W10 -","- Cs8 O45 Si W10 -","- Cs16 O90 Si2 W20 -","2","0.5","BR1104","Hartl, H.; Hubert, V.","Octacaesium Decatungstosilicate Nonahydrate","Acta Crystallographica Section C","1996","52","4","757","759","10.1107/S0108270195014284","","","0.7107","MoKα","","0.073","0.07","","0.07","0.07","","","","4.142","4.232","4.232","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005454","20.38","0.006","32.683","0.009","8.37","0.007","90","","90","","90","","5575","5","173","1","173","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","(1R*,3S*,4R*,7S*,8S*,13R*)-7-isocyanoamphilecta-11,14-diene","","","- C21 H31 N -","- C21 H31 N -","- C252 H372 N12 -","12","3","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1569","0.0573","","0.0538","0.0459","","","","","1.711","1.711","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005818","20.568","0.004","9.057","0.002","7.295","0.002","90","","90","","90","","1358.9","0.5","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Sodium Inosinate(1-) 2.5 Water, Na(inosineH~-1~) . 2.5 H~2~O","","- C10 H16 N4 Na O7.5 -","- C10 H16 N4 Na O7.5 -","- C40 H64 N16 Na4 O30 -","4","1","SK1041","Klüfers, P.; Mayer, P.","The Sodium Salt of N1-Deprotonated Inosine, Na^+^.C~10~H~11~N~4~O~5~^{-^}.2.5H~2~O","Acta Crystallographica Section C","1996","52","12","2970","2972","10.1107/S0108270196009043","","","0.71069","MoKa","","0.0248","0.0233","","0.0614","0.0605","","","","1.058","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005847","13.62","0.005","12.088","0.005","4.115","0.002","90","","90","","90","","677.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(2-nitrophenyl)trisulphide","","- C12 H8 N2 O4 S3 -","- C12 H8 N2 O4 S3 -","- C24 H16 N4 O8 S6 -","2","0.5","BM1114","Cox, P. J.; Wardell, J. L.","A Polymorph of Bis(2-nitrophenyl) Trisulfide","Acta Crystallographica Section C","1997","53","1","122","124","10.1107/S0108270196012838","","","0.71069","MoKα","","0.0496","0.0478","","0.1105","0.1098","","","","1.089","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005971","16.8089","0.0009","38.7649","0.001","7.887","0.005","90","","90","","90","","5139","3","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Sesquihydrate","","- C25 H46 N O5.5 -","- C25 H46 N O5.5 -","- C200 H368 N8 O44 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.165","0.065","","0.237","0.165","","","","1.2","1.224","1.224","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005972","16.565","0.003","39.504","0.004","7.824","0.008","90","","90","","90","","5120","5","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N-dimethyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Hemihydrate","","- C26 H49 N O5.5 -","- C26 H46 N O4.5 -","- C208 H368 N8 O36 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.233","0.07","","0.256","0.163","","","","1.057","1.236","1.236","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006378","7.122","0.002","18.113","0.004","10.389","0.004","90","","90","","90","","1340.2","0.7","293","","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","FG1253","Audette, Gerald F.; Zoghaib, Wajdi M.; Tourigny, Guy; Gupta, Sagar V.; Delbaere, Louis T. J.","3,4-Etheno-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1997","53","8","1099","1101","10.1107/S0108270197003880","","","0.71069","MolybdenumKα","","0.095","0.094","","0.076","0.076","","","","","1.43","1.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006600","12.1443","0.0006","19.2794","0.0008","15.8815","0.0009","90","","90","","90","","3718.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis[acetatotriphenylphosphinesilver(I)] hemihydrate","","- C40 H37 Ag2 O4.5 P2 -","- C40 H37 Ag2 O4.5 P2 -","- C160 H148 Ag8 O18 P8 -","4","1","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0418","0.033","","0.08","0.0755","","","","1.048","1.065","1.065","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006741","10.231","0.004","22.752","0.007","4.817","0.002","90","","90","","90","","1121.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","VJ1055","P. Karthe; N. Gautham; Anil Kumar; S.B. Katti","β-<small>D</small>-3'-Deoxyadenosine (Cordycepin)","Acta Crystallographica Section C","1997","53","11","1694","1696","10.1107/S0108270197007361","","","0.7107","MoKα","","0.1311","0.0539","","0.1281","0.091","","","","0.844","0.841","0.841","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006899","13.1891","0.0009","10.5406","0.0008","8.0819","0.0008","90","","90","","90","","1123.55","0.16","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","8,8'-bis(dimethylsulphido)-commo-3,3'-ferra- bis(3,1,2-closo-ferradicarbadodecaborane(10))","","- C8 H32 B18 Fe S2 -","- C8 H32 B18 Fe S2 -","- C16 H64 B36 Fe2 S4 -","2","0.5","AB1497","Plešek, Jaromír; Štíbr, Bohumil; Cooke, Paul A.; Kennedy, John D.; McGrath, Thomas D.; Thornton-Pett, Mark","An Additional Isomer of the Neutral Dicarbollide Analogue of Ferrocene [Fe{C~2~B~9~H~10~(SMe~2~)}~2~]","Acta Crystallographica Section C","1998","54","1","36","38","10.1107/S0108270197012742","","","0.71073","MoKα","","0.0168","0.0165","","0.0452","0.045","","","","1.127","1.126","1.126","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007406","28.048","0.002","7.9501","0.0014","13.6096","0.001","90","","90","","90","","3034.7","0.6","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H52 Cl4 N4 O12 Pd4 S7 -","- C22 H52 Cl4 N4 O12 Pd4 S7 -","- C44 H104 Cl8 N8 O24 Pd8 S14 -","2","0.5","BM1182","Chen, Xiao-hua; Zhu, Long-gen; Duan, Chun-ying; Liu, Yong-jiang; Kostic, Nenad M.","A Tetranuclear Complex of Palladium(II) with Cysteine","Acta Crystallographica Section C","1998","54","7","909","911","10.1107/S0108270198001012","","","0.71073","MoKα","","0.1136","0.0668","","0.2384","0.1713","","","","1.204","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007579","16.031","0.002","17.942","0.003","11.25","0.003","90","","90","","90","","3235.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","trans-2,3,5,7,15-pentaacetoxy jatroph 6(17),11-DIENE-9,14-DIONE","E-(-)-(2R,3R,4R,5S,7R,13R,15R)- 2,3,5,7,15-Pentaacetoxy-2,10,10,13-tetramethyl- 6-methylene-bicyclo[10.3.0] pentadec-11-en-9,14-dione","","- C30 H40 O12 -","- C30 H40 O12 -","- C120 H160 O48 -","4","1","BM1208","Kar, Tanusree; Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Hohmann, Judit","<i>trans</i>-2,3,5,7,15-Pentaacetoxyjatropha-6(17),11-diene-9,14-dione, a Diterpene Oligoester","Acta Crystallographica Section C","1998","54","9","1287","1289","10.1107/S010827019800393X","","","1.5418","CuKα","","0.1067","0.0765","","0.2801","0.2228","","","","1.037","1.258","1.258","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007674","6.7954","0.0008","16.1594","0.0013","5.6307","0.001","90","","90","","90","","618.3","0.14","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","trimethylenediammonium bis(monohydrogenoxalate) monohydrate (β-form)","","- C7 H16 N2 O9 -","- C7 H16 N2 O9 -","- C14 H32 N4 O18 -","2","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","","","0.71073","MoKα","","0.052","0.0356","","","","0.1019","","","","","","1.005","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008238","10.735","0.002","13.31","0.002","5.205","0.001","90","","90","","90","","743.7","0.2","296","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Co N4 O6 -","- C12 H14 Co N4 O6 -","- C24 H28 Co2 N8 O12 -","2","0.5","DA1037","Okabe, Nobuo; Adachi, Yukari","Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]cobalt(II)","Acta Crystallographica Section C","1999","55","3","302","304","10.1107/S0108270198013614","","","0.71069","MoKα","","","0.032","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008976","9.4742","0.0002","16.6161","0.0004","10.8918","0.0007","90","","90","","90","","1714.63","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Glutathione","γ-L-Glutamyl-L-cysteinyl-glycine","","- C20 H40 N6 O20 S2 -","- C20 H40 N6 O20 S2 -","- C40 H80 N12 O40 S4 -","2","0.5","SX1077","Jelsch, Christian; Didierjean, Claude","The oxidized form of glutathione","Acta Crystallographica Section C","1999","55","9","1538","1540","10.1107/S0108270199007039","","","0.56087","AgKα","","0.04","0.038","","","","0.1","","","","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009148","18.864","0.008","14.476","0.004","5.473","0.001","90","","90","","90","","1494.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Carpaine","Carpaine","","- C28 H50 N2 O4 -","- C28 H50 N2 O4 -","- C56 H100 N4 O8 -","2","0.5","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0462","0.0413","","","","0.1363","","","","","","1.438","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009484","9.973","0.001","20.718","0.003","7.541","0.002","90","","90","","90","","1558.1","0.5","293","","","","","","","","","","","4","P 21 21 2","P 2 2ab","","","","","- C30 H50 Br2 N4 -","- C30 H50 Br2 N4 -","- C60 H100 Br4 N8 -","2","0.5","OH1033","Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.","HBF~4~ and HBr salts of new chiral cyclens","Acta Crystallographica Section C","1994","50","2","306","312","10.1107/S0108270193007139","","","0.71073","MoKα","","","0.06","","","0.068","","","","","2.18","2.18","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009763","29.868","0.007","12.567","0.004","14.705","0.005","90","","90","","90","","5520","3","293","","","","","","","","","","","3","P 21 21 2","P 2 2ab","","","","","- C29 H43 O11 -","- C29 H39.5 O10.75 -","- C232 H316 O86 -","8","2","CD1053","Hernández-Quiroz, T.; Soriano-García, M.; Rodríguez-Romero, A.; Valencia, C.; Hernández, L.; Aguirre-García, F.","[2α(2<i>S</i>,3<i>S</i>,4<i>R</i>,6<i>R</i>),3β,5α]-14-Hydroxy-19-oxo-3,2-[(tetrahydro-3,4-dihydroxy-6-methyl-2<i>H</i>-pyran-2,3-diyl)bis(oxy)]card-20(22)-enolide dihydrate (calactin), C~29~H~39~O~9~.2H~2~O, a cardenolide from <i>Asclepias linaria</i>","Acta Crystallographica Section C","1994","50","6","935","938","10.1107/S0108270193010790","","","1.5418","CuKα","","","0.064","","","0.081","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009886","23.446","0.003","9.39","0.002","11.13","0.002","90","","90","","90","","2450.4","0.8","173","1","173","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","2,2',3,3'-tetra-O-acetyl-4,4',6,6'-tetradeoxy-α,α-xylotrehalose (I), 2,2',3,3'-tetra-O-acetyl-6-chloro-4,4',6,6'-tetradeoxy-α,α-xylotrehalose, (II)","2,3-di-O-acetyl-4,6-dideoxy-α-D-xylohexopyranosyl 2,3-di-O-acetyl-4,6- dideoxy-α-D-xylohexopyranoside (I), 2,3-di-O-acetyl-6-chloro-4,6-dideoxy-α-D- xylohexopyranosyl 2,3-di-O-acetyl-4,6-dideoxy-α-D-xylohexopyranoside (II)","","- C20 H29.841 Cl0.159 O11 -","- C20 H29.841 Cl0.159 O11 -","- C80 H119.364 Cl0.636 O44 -","4","1","NA1072","Linden, Anthony; Lee, C.-Kuan","2,2',3,3'-Tetra-<i>O</i>-acetyl-4,4',6,6'-tetradeoxy-α,α-<i>xylo</i>-trehalose","Acta Crystallographica Section C","1994","50","7","1108","1112","10.1107/S010827019400082X","","","0.71069","MoKα","","0.0929","0.0506","","0.0505","0.0477","","","","","2.688","2.688","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2009929","9.208","0.001","32.454","0.002","5.495","0.003","90","","90","","90","","1642.1","0.9","293","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 Na2 O15 S2 -","- C24 N2 Na2 O15 S2 -","- C48 N4 Na4 O30 S4 -","2","0.5","AS1108","Oyama, Yoshiaki; Imajo, Seiichi; Tanaka, Rie; Ishiguro, Masaji","A hydrate of the sodium salt of a penem carboxylic acid","Acta Crystallographica Section C","1994","50","8","1254","1256","10.1107/S0108270194002532","","","1.5418","CuKα","","","0.059","","","0.11","","","","","1.92","1.92","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2010448","19.874","0.001","23.935","0.002","9.496","0.001","90","","90","","90","","4517.1","0.6","290","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H52 N2 O15 -","- C48 H52 N2 O15 -","- C192 H208 N8 O60 -","4","1","CR1123","Gao, Q.; Golik, J.","2'-Carbamate Taxol","Acta Crystallographica Section C","1995","51","2","295","298","10.1107/S0108270194005317","","","1.5418","CuKα","","","0.041","","","0.041","","","","","1.149","1.149","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010474","11.358","0.002","25.591","0.005","13.497","0.002","90","","90","","90","","3923.1","1.2","295","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C39 H50 N5 O10 -","- C39 H50 N5 O10 -","- C156 H200 N20 O40 -","4","1","LI1098","Pakhomova, S.; Ondrack, M.; Kratochvil, B.; Jegporov, A.; Stuchlik, J.","Ergotamine Tartrate Bis(ethanol) Solvate","Acta Crystallographica Section C","1995","51","2","308","311","10.1107/S0108270194004233","","","0.71073","MoKα","","","0.047","","","0.047","","","","","0.8386","0.8386","","","","","has coordinates","190659","2020-10-21","18:00:00",""
"2011052","12.426","0.003","29.446","0.01","7.45","0.009","90","","90","","90","","2726","3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Dysobinin","6β-acetoxyazadirone","","- C30 H38 O6 -","- C30 H38 O6 -","- C120 H152 O24 -","4","1","QB0200","Sarkhel, Sanjay; Jain, Girish K.; Singh, Satywan; Subramanya, Hosahalli. S.; Maulik, Prakas R.","Dysobinin, a tetranortriterpenoid","Acta Crystallographica Section C","2000","56","6","e253","e254","10.1107/S0108270100006041","","","0.7093","MoKα","","0.094","0.045","","","","0.127","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011926","15.6","0.004","20.764","0.006","5.826","0.003","90","","90","","90","","1887.1","1.2","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(2S)-N-[5-(4-chlorophenyl)-2,3-dihydro-6H-1,3,4-thiadiazin-2-ylidene]-2- (phenylsulfonyl)amino]propanamide","","- C18 H17 Cl N4 O3 S2 -","- C18 H17 Cl N4 O3 S2 -","- C72 H68 Cl4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.074","0.051","","","","0.123","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012427","9.684","0.003","27.325","0.007","7.281","0.004","90","","90","","90","","1926.7","1.3","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","(+)-4-Pregnen-3-one-20β-carboxylic acid","(+)-4-Pregnen-3-one-20β-carboxylic acid","","- C22 H32 O3 -","- C22 H32 O3 -","- C88 H128 O12 -","4","1","FR1353","Thompson, Hugh W.; Lalancette, Roger A.","(+)-3-Oxo-4-pregnene-20β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","2002","58","1","o22","o23","10.1107/S0108270101018601","","","0.71073","MoKα","","0.078","0.05","","","0.103","0.114","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012960","13.343","0.005","7.832","0.002","8.27","0.002","90","","90","","90","","864.2","0.4","298","2","298","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H5 Ag Cl N3 O3 -","- C5 H5 Ag Cl N3 O3 -","- C20 H20 Ag4 Cl4 N12 O12 -","4","1","TA1379","Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng","Polymeric (3-amino-2-chloropyridine)nitratosilver(I)","Acta Crystallographica Section C","2002","58","9","m481","m482","10.1107/S0108270102013872","","","0.71073","MoKα","","0.043","0.034","","","0.079","0.083","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013203","25.247","0.002","4.0827","0.001","8.764","0.002","90","","90","","90","","903.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Strontium hexabromodicadmate(II) octahydrate","","- Br6 Cd2 H16 O8 Sr -","- Br6 Cd2 H16 O8 Sr -","- Br12 Cd4 H32 O16 Sr2 -","2","0.5","SK1605","Yahyaoui, Samia; Ben Hassen, Rached; Petříček, Vaclav; Dušek, Michal; Ben Salah, Abdelhamid","Strontium hexabromodicadmate(II) octahydrate","Acta Crystallographica Section C","2003","59","3","i24","i26","10.1107/S0108270103002221","","","0.71069","MoKα","","0.065","0.029","","","0.063","0.07","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013325","8.448","0.001","19.938","0.001","6.428","0.001","90","","90","","90","","1082.7","0.2","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","austdiol","(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro- 6H-isochromene-5-carbaldehyde","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","NA1600","Lo Presti, Leonardo; Soave, Raffaella; Destro, Riccardo","The fungal metabolite austdiol","Acta Crystallographica Section C","2003","59","4","o199","o201","10.1107/S0108270103005031","","","0.71073","MoKα","","0.0431","0.0356","","","0.0962","0.1021","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013362","19.4182","0.001","6.942","0.001","9.0534","0.001","90","","90","","90","","1220.4","0.2","120","2","120","0.2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H13 N5 O6 -","- C10 H13 N5 O6 -","- C40 H52 N20 O24 -","4","1","SK1626","Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-glutamic acid: a three-dimensional framework structure built from O—H···O, N—H···O and O—H···N hydrogen bonds","Acta Crystallographica Section C","2003","59","4","o210","o212","10.1107/S0108270103005754","","","0.71073","MoKα","","0.1357","0.0566","","","0.1235","0.1527","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013887","14.667","0.0003","34.0857","0.0008","6.3334","0.0001","90","","90","","90","","3166.29","0.11","293","2","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","<i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","0.71073","MoKα","","","0.0473","","","","0.1347","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014840","16.74","0.005","19.173","0.005","6.632","0.002","90","","90","","90","","2128.6","1.1","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(+)-(αS,1S,4R)-α,4-dimethyl-2-oxocyclohexaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C80 H128 O24 -","8","2","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.152","0.059","","","0.074","0.093","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014949","11.8543","0.0008","5.7221","0.0002","10.6312","0.0006","90","","90","","90","","721.13","0.07","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1,3-Dibenzoyl-4,5-dihydro-1H-imidazole-2(3H)-thione","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C34 H28 N4 O4 S2 -","2","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0266","0.0239","","","0.058","0.0591","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015013","18.6288","0.0008","19.1956","0.0008","10.8885","0.0003","90","","90","","90","","3893.6","0.3","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","10-methyl-8-phenyl-11-(4-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","2","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.1002","0.0647","","","0.1372","0.1519","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015044","7.633","0.003","15.272","0.006","5.744","0.002","90","","90","","90","","669.6","0.4","98","2","98","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Poly[sodium(I)-μ~2~-tetraethoxyborato]","","- C8 H20 B Na O4 -","- C8 H20 B Na O4 -","- C16 H40 B2 Na2 O8 -","2","0.5","SF1008","Gainsford, Graeme J.; Kemmitt, Tim","<i>catena</i>-Poly[sodium(I)-μ-tetraethoxyborato]","Acta Crystallographica Section C","2005","61","9","m417","m418","10.1107/S0108270105024121","","","0.71073","MoKα","","0.0826","0.0555","","","0.0972","0.1052","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015628","17.623","0.001","7.2451","0.0006","11.3957","0.0008","90","","90","","90","","1455.01","0.18","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","","- C22 H32 N2 O15 S2 Zn -","- C22 H32 N2 O15 S2 Zn -","- C44 H64 N4 O30 S4 Zn2 -","2","0.5","AV3042","Yu-Ling Wang","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","Acta Crystallographica Section C","2006","62","11","m522","m524","10.1107/S0108270106038844","","","0.71073","MoKα","","0.0351","0.0305","","","0.0705","0.0735","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016039","11.2488","0.0005","14.6091","0.0007","10.6711","0.0005","90","","90","","90","","1753.63","0.14","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","cis-Dicarbonyl-cis-dichlorido-trans-bis(triphenylphosphine-κP)iridium(III) tetrafluoroborate","","- C38 H30 B Cl2 F4 Ir O2 P2 -","- C38 H30 B Cl2 F4 Ir O2 P2 -","- C76 H60 B2 Cl4 F8 Ir2 O4 P4 -","2","0.5","GD3114","Harding, Duncan A. J.; Hope, Eric G.; Solan, Gregory A.; Fawcett, John","<i>cis</i>-Dicarbonyl-<i>cis</i>-dichlorido-<i>trans</i>-bis(triphenylphosphine-κ<i>P</i>)iridium(III) tetrafluoridoborate, formed by reaction of (cycloocta-1,5-diene)bis(triphenylphosphine)iridium tetrafluoridoborate with carbonyl fluoride in dichloromethane solution","Acta Crystallographica Section C","2007","63","7","m321","m322","10.1107/S0108270107025358","","","0.71073","MoKα","","0.0232","0.0222","","","0.0455","0.0458","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016355","8.3263","0.0003","22.8436","0.0007","7.494","0.0002","90","","90","","90","","1425.38","0.08","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","hexaaquamanganese(II) 5-aminonaphthalene-1-sulfonate trihydrate","hexaaquamanagnese(II) bis(5-aminonaphthalene-1-sulfonate) trihydrate","","- C20 H34 Mn N2 O15 S2 -","- C20 H34 Mn N2 O15 S2 -","- C40 H68 Mn2 N4 O30 S4 -","2","0.5","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0284","0.0275","","","0.0736","0.074","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016356","8.1031","0.0006","22.9375","0.0018","7.4607","0.0006","90","","90","","90","","1386.68","0.19","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","hexaaquanickel(II) 5-aminonaphthalene-1-sulfonate trihydrate","hexaaquanickel(II) bis(5-aminonaphthalene-1-sulfonate) trihydrate","","- C20 H34 N2 Ni O15 S2 -","- C20 H34 N2 Ni O15 S2 -","- C40 H68 N4 Ni2 O30 S4 -","2","0.5","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0267","0.0252","","","0.0585","0.0589","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016491","15.348","0.0009","17.8805","0.0011","4.7728","0.0003","90","","90","","90","","1309.8","0.14","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-Seryl-L-tyrosine monohydrate","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C48 H72 N8 O24 -","4","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0521","0.0379","","","0.088","0.1016","","","","","","1.136","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016714","11.9764","0.0004","14.3836","0.0003","6.22447","0.00016","90","","90","","90","","1072.25","0.05","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Rubidium sodium (+)-(2R,3R)-tartrate tetrahydrate","","- C4 H12 Na O10 Rb -","- C4 H12 Na O10 Rb -","- C16 H48 Na4 O40 Rb4 -","4","1","GD3231","Lutz, Martin; Schreurs, Antoine M. M.","Was Bijvoet right? Sodium rubidium (+)-tartrate tetrahydrate revisited","Acta Crystallographica Section C","2008","64","8","m296","m299","10.1107/S0108270108022415","","","0.71073","MoKα","","0.0229","0.0188","","","0.0397","0.041","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017025","17.549","0.003","7.0981","0.001","10.9242","0.0019","90","","90","","90","","1360.8","0.4","100","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","<i>N</i>^1^-(2'-deoxyribofuranoside) of 3-iodo-5-nitroindole","1-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-3-iodo-5-nitro-1<i>H</i>-indole","","- C13 H13 I N2 O5 -","- C13 H13 I N2 O5 -","- C52 H52 I4 N8 O20 -","4","1","TR3054","Budow, Simone; Leonard, Peter; Eickmeier, Henning; Reuter, Hans; Seela, Frank","The <i>N</i>^1^-(2'-deoxyribofuranoside) of 3-iodo-5-nitroindole: a universal nucleoside forming nitro‒iodo interactions","Acta Crystallographica Section C","2009","65","3","o100","o102","10.1107/S0108270109004673","","","0.71073","MoKα","","0.0191","0.0171","","","0.0334","0.0341","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017097","11.931","0.002","12.157","0.002","6.2921","0.0013","90","","90","","90","","912.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Diphenyldipyridinezinc(II)","","- C22 H20 N2 Zn -","- C22 H20 N2 Zn -","- C44 H40 N4 Zn2 -","2","0.5","GG3194","Lennartson, Anders; Håkansson, Mikael","Diphenyldipyridinezinc(II): partial spontaneous resolution of an organometallic reagent","Acta Crystallographica Section C","2009","65","5","m205","m207","10.1107/S0108270109014127","","","0.71073","MoKα","","0.0179","0.0172","","","0.0453","0.0455","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017263","9.7566","0.0005","12.7626","0.0006","9.3138","0.0004","90","","90","","90","","1159.75","0.09","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3,3'-[1,4-phenylene-bis-(methylene)]-bis-[6-(chloromethyl)- 1,4-dimethyl-2,5-piperazinedione]","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","0.5","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.0507","0.0365","","","0.0938","0.1017","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017507","10.1264","0.001","28.487","0.003","11.3835","0.0011","90","","90","","90","","3283.8","0.6","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Poly[[<i>trans</i>-diaquabis(μ~2~-biphenyl-2,2'-dicarboxylato)bis(μ~2~-4,4'- bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]","","- C76 H56 Co2 N4 O18 -","- C38 H28 Co N2 O9 -","- C152 H112 Co4 N8 O36 -","4","1","FN3036","Zhan, Ge; Li, Xin-Hua","Poly[[<i>trans</i>-diaquabis(μ~2~-biphenyl-2,2'-dicarboxylato)bis(μ~2~-4,4'-bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]","Acta Crystallographica Section C","2010","66","2","m29","m31","10.1107/S0108270109044205","","","0.71073","MoKα","","0.052","0.0452","","","0.0971","0.1003","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018369","14.4531","0.0004","34.6885","0.0008","8.7114","0.0002","90","","90","","90","","4367.52","0.19","300","","298","","","","","","","","","4","P 21 21 2","P 2 2ab","18","clarithromycin","(3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>,11<i>S</i>, 12<i>R</i>,13<i>S</i>,14<i>S</i>)-6-{[(2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)- 4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-hydroxy-4-methoxy-4,6- dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","CU3008","Noguchi, Shuji; Miura, Keiko; Fujiki, Sadahiro; Iwao, Yasunori; Itai, Shigeru","Clarithromycin form I determined by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2012","68","2","o41","o44","10.1107/S0108270111054230","powder diffraction","","1.3","synchrotron","","0.04213","","","","","","","","3.703","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018549","14.2076","0.0002","15.9721","0.0003","11.392","0.0002","90","","90","","90","","2585.13","0.08","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>R</i>,8a<i>R</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.33-hydrate","","- C32 H30.65 N2 O3.33 -","- C32 H30.655 N2 O3.3275 -","- C128 H122.62 N8 O13.31 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0891","0.0531","","","0.1165","0.1468","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018550","14.2212","0.0002","15.9917","0.0002","11.392","0.0002","90","","90","","90","","2590.78","0.07","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>S</i>,8a<i>S</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.39-hydrate","","- C32 H30.8 N2 O3.4 -","- C32 H30.784 N2 O3.392 -","- C128 H123.136 N8 O13.568 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0609","0.0486","","","0.1336","0.1432","","","","","","1.14","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019458","11.209","0.003","20.221","0.005","4.9699","0.0012","90","","90","","90","","1126.5","0.5","142","2","142","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1'-Deoxy-1'-(2,4,6-trifluorophenyl)-β-<i>D</i>-ribofuranose","","- C11 H11 F3 O4 -","- C11 H11 F3 O4 -","- C44 H44 F12 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0341","0.0313","","","0.0797","0.0815","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019595","9.7082","0.0002","8.9123","0.0003","8.482","0.0002","90","","90","","90","","733.88","0.03","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","L-Aspartate chloride","<i>L</i>-Aspartic acid hydrochloride","","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","- C16 H32 Cl4 N4 O16 -","4","1","SK3547","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride","Acta Crystallographica Section C","2014","70","7","689","692","10.1107/S2053229614013163","","","0.71073","MoKα","","0.0464","0.0368","","","0.0831","0.0903","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019874","10.193","0.003","23.924","0.002","7.284","0.003","90","","90","","90","","1776.3","0.9","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","<i>catena</i>-Poly[[[triaquamagnesium(II)]-μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^5^] hemi{bis[μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^]bis[triaquamagnesium(II)]} monohydrate]","","","- C4 H16 Mg2 N18 O7 -","- C4 H16 Mg2 N18 O7 -","- C16 H64 Mg8 N72 O28 -","4","1","","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane","Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002727","","","0.71073","MoKα","","0.0599","0.0468","","","0.0779","0.0819","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020024","19.7273","0.0013","7.6749","0.0003","9.3882","0.0003","90","","90","","90","","1421.42","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4<i>S</i>)-<i>N</i>'-[(<i>E</i>)-2,6-Dichlorobenzylidene]-<i>N</i>,3-dimethyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71073","MoKα","","0.0238","0.0228","","","0.0576","0.058","","","","","","1.061","","","","has coordinates,has Fobs","140984","2020-10-21","18:00:00",""
"2021173","11.7555","0.0014","20.224","0.002","8.0385","0.0011","90","","90","","90","","1911.1","0.4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","3β,6β,16-Trihydroxy-7-pimaren-19,20β-olide monohydrate","5-(1,2-Dihydroxyethyl]-9,17-dihydroxy-5,11-dimethyl-13-\ oxatetracyclo[9.3.3.0^1,10^.0^2,7^]heptadec-7-en-12-one monohydrate","","- C20 H32 O7 -","- C20 H32 O7 -","- C80 H128 O28 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","1.54178","CuKα","","0.0648","0.0455","","","0.1222","0.1369","","","","","","1.052","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2022765","7.89079","0.00013","16.499","0.0003","13.1394","0.0003","90","","90","","90","","1710.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-Amino-6-[(1-phenylethyl)amino]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile","","- C19 H15 N5 S -","- C19 H15 N5 S -","- C76 H60 N20 S4 -","4","1","VM2282","Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenyl-eth-yl)amino]-4-(thio-phen-2-yl)pyridine-3,5-dicarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","526","530","10.1107/S2056989023003845","","","1.54184","CuKα","","0.0366","0.0358","","","0.0952","0.0958","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","285056","2023-07-06","18:19:46",""
"2100541","23.518","0.001","23.518","0.001","5.0263","0.0003","90","","90","","90","","2780","0.2","190","1","190","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca36 Co16.2 O126 Si36 Zn1.8 -","18","4.5","CK5015","Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut","Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals","Acta Crystallographica, Section B","2006","62","4","547","555","10.1107/S0108768106016612","","","0.71073","MoKα","","0.0717","0.0526","","","0.1053","0.1137","","","","","","1.098","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101050","10.35","","13.99","","3.774","","90","","90","","90","","546.462","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","","","","","- O8 W3 -","- O8 W3 -","- O32 W12 -","4","1","AB0311","Sundberg, M.; Zakharov, N. D.; Zibrov, I. P.; Barabanenkov, Yu. A.; Filonenko, V. P.; Werner, P.","Two high-pressure tungsten oxide structures of W~3~O~8~ stoichiometry deduced from high-resolution electron microscopy images","Acta Crystallographica Section B","1993","49","6","951","958","10.1107/S0108768193005701","","","0.71069","electron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101074","12.112","0.001","14.31","0.02","6.2043","0.0005","90","","90","","90","","1075.3","1.5","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0306","Brożek, Z.; Stadnicka, K.","Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K","Acta Crystallographica Section B","1994","50","1","59","68","10.1107/S0108768193005105","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101075","12.088","0.002","14.28","0.03","6.192","0.001","90","","90","","90","","1069","2","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0306","Brożek, Z.; Stadnicka, K.","Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K","Acta Crystallographica Section B","1994","50","1","59","68","10.1107/S0108768193005105","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101076","12.065","0.006","14.346","0.007","6.182","0.003","90","","90","","90","","1070","0.9","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0306","Brożek, Z.; Stadnicka, K.","Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K","Acta Crystallographica Section B","1994","50","1","59","68","10.1107/S0108768193005105","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101161","12.0762","0.0004","14.3621","0.0006","6.1829","0.0002","90","","90","","90","","1072.36","0.07","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0318","Brożek, Z.; Mucha, D.; Stadnicka, K.","X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase)","Acta Crystallographica Section B","1994","50","4","465","472","10.1107/S0108768194000479","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","206187","2020-10-21","18:00:00",""
"2101256","27.266","0.004","13.865","0.002","7.237","0.001","90","","90","","90","","2735.9","0.7","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","","","","","- C29 H48 O4.5 -","- C44 H69 O6 -","- C176 H276 O24 -","4","1","NA0055","Candeloro De Sanctis, S.; Coiro, V. M.; Mazza, F.; Pochetti, G.","The inclusion compound of deoxycholic acid with (‒)-camphor: a structural and energetic study","Acta Crystallographica Section B","1995","51","1","81","89","10.1107/S0108768194008359","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101500","12.206","0.007","14.451","0.006","6.25","0.004","90","","90","","90","","1102.4","1.1","294","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0054","Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.","Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions","Acta Crystallographica Section B","1996","52","2","296","302","10.1107/S0108768195010822","","","0.70926","MoKα~1~","","","0.038","","","0.032","","","","","1.2116","1.2116","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101501","12.172","0.004","14.421","0.004","6.239","0.002","90","","90","","90","","1095.2","0.6","294","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H15.76 K0.06 N0.94 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0054","Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.","Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions","Acta Crystallographica Section B","1996","52","2","296","302","10.1107/S0108768195010822","","","0.70926","MoKα~1~","","","0.0398","","","0.0298","","","","","0.7314","0.7314","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2101502","12.165","0.009","14.42","0.007","6.239","0.004","90","","90","","90","","1094","1","294","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H15.6 K0.1 N0.9 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0054","Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.","Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions","Acta Crystallographica Section B","1996","52","2","296","302","10.1107/S0108768195010822","","","0.70926","MoKα~1~","","","0.0355","","","0.0272","","","","","0.8604","0.8604","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2101634","16.419","0.003","15.309","0.003","4.708","0.001","90","","90","","90","","1183.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-valyl-L-glutamine","","- C10 H19 N3 O4 -","- C10 H19 N3 O4 -","- C40 H76 N12 O16 -","4","1","HA0146","Görbitz, C. H.; Backe, P. H.","Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine","Acta Crystallographica Section B","1996","52","6","999","1006","10.1107/S0108768196006817","","","0.71069","MoKα","","0.0858","0.0502","","0.0999","0.0906","","","","1.004","1.091","1.091","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101646","11.899","0.002","14.273","0.002","6.211","0.001","90","","90","","90","","1054.8","0.3","213","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H13.12 K0.72 N0.28 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0056","Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.","Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase","Acta Crystallographica Section B","1996","52","6","976","981","10.1107/S0108768196005502","","","0.70926","MoKα~1~","","","0.0424","","","0.0399","","","","","1.1155","1.1155","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101647","11.929","0.001","14.297","0.001","6.221","0.001","90","","90","","90","","1061","0.2","253","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H13.12 K0.72 N0.28 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0056","Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.","Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase","Acta Crystallographica Section B","1996","52","6","976","981","10.1107/S0108768196005502","","","0.70926","MoKα~1~","","","0.0498","","","0.0442","","","","","1.1732","1.1732","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101648","11.955","0.001","14.317","0.001","6.231","0.001","90","","90","","90","","1066.5","0.2","293","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H13.12 K0.72 N0.28 Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","OH0056","Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.","Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase","Acta Crystallographica Section B","1996","52","6","976","981","10.1107/S0108768196005502","","","0.70926","MoKα~1~","","","0.0473","","","0.0392","","","","","0.92","0.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102569","8.8385","0.0002","21.8363","0.0008","8.0831","0.0002","90","","90","","90","","1560.04","0.08","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2,2',3,3'-Tetraacetato-6,6'-bis(N-acetylamino)-α,α'-trehalose dihydrate","","- C24 H40 N2 O17 -","- C24 H40 N2 O17 -","- C48 H80 N4 O34 -","2","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0706","0.0546","","","0.1381","0.1475","","","","","","1.12","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102616","16.2957","0.0019","23.426","0.002","9.5842","0.0009","90","","90","","90","","3658.7","0.6","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-Isoleucyl-L-isoleucine L-Isoleucyl-L-isoleucinium nitrate acetonitrile solvate","","- C13.8 H27.2 N3.4 O4.7 -","- C13.812 H27.218 N3.399 O4.674 -","- C110.496 H217.744 N27.192 O37.392 -","8","2","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.0545","0.0472","","","0.1238","0.129","","","","","","1.14","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2103260","10.282","0.002","18.024","0.004","5.136","0.001","90","","90","","90","","951.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N'-dimethyldiamide","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C40 H40 N4 O12 -","2","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","0.71073","MoKα","","0.0813","0.0452","","","0.1253","0.135","","","","","","1.083","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103262","9.462","0.001","17.653","0.003","5.662","0.001","90","","90","","90","","945.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Dimethyl (R,R)-(-)-O,O'-Dibenzoyltartrate","","- C20 H18 O8 -","- C20 H18 O8 -","- C40 H36 O16 -","2","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","1.54178","CuKα","","0.0265","0.0252","","","0.0703","0.0718","","","","","","1.146","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103263","9.898","0.002","17.756","0.004","5.264","0.001","90","","90","","90","","925.1","0.3","160","2","160","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N-methylamide) monomethylester","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C40 H38 N2 O14 -","2","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","0.71073","MoKα","","0.0837","0.0832","","","0.1677","0.1679","","","","","","1.135","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103683","23.51","0.004","23.51","0.004","5.025","0.001","90","","90","","90","","2777.4","0.9","170","0.5","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca36 Co18 O126 Si36 -","18","4.5","SN0009","Hagiya, Kenji; Kusaka, Katsuhiro; Ohmasa, Masaaki; Iishi, Kazuaki","Commensurate structure of Ca~2~CoSi~2~O~7~, a new twinned orthorhombic structure","Acta Crystallographica Section B","2001","57","3","271","277","10.1107/S010876810100101X","","","0.71073","MoKα","","0.084","0.084","","0.139","","0.139","","","","","","1.21","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103847","19.9172","0.0008","6.7515","0.0003","10.6272","0.0004","90","","90","","90","","1429.05","0.1","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1R,3S)-Camphoric acid‒hexamethylenetetramine (2/1)","","- C26 H44 N4 O8 -","- C26 H44 N4 O8 -","- C52 H88 N8 O16 -","2","0.5","NA0144","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines","Acta Crystallographica Section B","2003","59","1","118","131","10.1107/S0108768102022358","","","0.71073","MoKα","","0.0408","0.0327","","","0.0757","0.0796","","","","","","1.023","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103848","19.1277","0.0004","7.5743","0.0006","10.692","0.0012","90","","90","","90","","1549","0.2","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1R,3S)-Camphoric acid‒piperazine (1/1)","","- C14 H26 N2 O4 -","- C14 H26 N2 O4 -","- C56 H104 N8 O16 -","4","1","NA0144","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines","Acta Crystallographica Section B","2003","59","1","118","131","10.1107/S0108768102022358","","","0.71073","MoKα","","0.0786","0.0587","","","0.1409","0.1494","","","","","","1.201","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103849","13.573","0.0004","22.05","0.0008","6.8417","0.0002","90","","90","","90","","2047.62","0.11","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1R,3S)-Camphoric acid‒N,N'-dimethylpiperazine‒water (3/1/2)","","- C36 H66 N2 O14 -","- C36 H66 N2 O14 -","- C72 H132 N4 O28 -","2","0.5","NA0144","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines","Acta Crystallographica Section B","2003","59","1","118","131","10.1107/S0108768102022358","","","0.71073","MoKα","","0.0584","0.0394","","","0.0898","0.0994","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103853","25.51","0.003","5.2248","0.0008","7.6494","0.0009","90","","90","","90","","1019.5","0.2","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 2","P 2 2ab","18","","R-(+)-2-phenoxypropionic acid (n-alkanes)","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","OS0103","Sørensen, Henning Osholm; Larsen, Sine","Hydrogen bonding in enantiomeric <i>versus</i> racemic mono-carboxylic acids; a case study of 2-phenoxypropionic acid","Acta Crystallographica Section B","2003","59","1","132","140","10.1107/S0108768102022085","","","1.54184","CuKα","","0.0414","0.0402","","","0.1175","0.1189","","","","","","1.131","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103957","11.714","0.003","11.784","0.003","5.8265","0.0009","90","","90","","90","","804.3","0.3","150","1","150","5","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Tetramethylammonium perchlorate","","- C4 H12 Cl N O4 -","- C4 H12 Cl N O4 -","- C16 H48 Cl4 N4 O16 -","4","1","BS0018","Palacios, Elías; Burriel, Ramón; Ferloni, Paolo","The phases of [(CH~3~)~4~N](ClO~4~) at low temperature","Acta Crystallographica Section B","2003","59","5","625","633","10.1107/S0108768103019013","","","0.71073","MoKα","","0.0983","0.0867","","","0.2334","0.2477","","","","","","1.877","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103959","11.566","0.002","11.806","0.002","5.7292","0.0011","90","","90","","90","","782.3","0.2","30","1","30","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","tetramethylammonium perchlorate","","- C4 H12 Cl N O4 -","- C4 H12 Cl N O4 -","- C16 H48 Cl4 N4 O16 -","4","1","BS0018","Palacios, Elías; Burriel, Ramón; Ferloni, Paolo","The phases of [(CH~3~)~4~N](ClO~4~) at low temperature","Acta Crystallographica Section B","2003","59","5","625","633","10.1107/S0108768103019013","","","1.54056","CuKα~1~","","","","","","","","","","1.49","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103960","11.639","0.003","11.798","0.003","5.779","0.0013","90","","90","","90","","793.6","0.3","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","tetramethylammonium perchlorate","","- C4 H12 Cl N O4 -","- C4 H12 Cl N O4 -","- C16 H48 Cl4 N4 O16 -","4","1","BS0018","Palacios, Elías; Burriel, Ramón; Ferloni, Paolo","The phases of [(CH~3~)~4~N](ClO~4~) at low temperature","Acta Crystallographica Section B","2003","59","5","625","633","10.1107/S0108768103019013","","","1.54056","CuKα~1~","","","","","","","","","","1.4","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104733","24.814","0.013","18.458","0.005","10.2575","0.0018","90","","90","","90","","4698","3","293","2","293","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C24 H86 F7 Ga14 N8 O72 P16 Zn2 -","- C24 H72 F7 Ga16 N8 O72 P16 -","- C48 H144 F14 Ga32 N16 O144 P32 -","2","0.5","HW5009","Helliwell, M.; Helliwell, J. R.; Kaucic, V.; Zabukovec Logar, N.; Teat, S. J.; Warren, J. E.; Dodson, E. J.","Determination of zinc incorporation in the Zn-substituted gallophosphate ZnULM-5 by multiple wavelength anomalous dispersion techniques","Acta Crystallographica Section B","2010","66","3","345","357","10.1107/S0108768110011237","","","0.6787","synchrotron","","0.0368","0.0366","","","0.094","0.0941","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105329","10.8522","0.0006","4.9102","0.0003","4.5766","0.0003","90","","90","","90","","243.87","0.03","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1,3-dimethylurea","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C6 H16 N4 O2 -","2","0.5","PS5022","Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina","Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea","Acta Crystallographica Section B","2013","69","1","70","76","10.1107/S0108768112049324","","","0.71073","MoKα","","0.029","0.0288","","","0.0768","0.0771","","","","","","1.144","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105742","6.5088","0.0002","18.1788","0.0006","9.6194","0.0002","90","","90","","90","","1138.19","0.06","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","RbDDQx2H2O","","","- C8 H4 Cl2 N2 O4 Rb -","- C8 H4 Cl2 N2 O4 Rb -","- C32 H16 Cl8 N8 O16 Rb4 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0441","0.0419","","","0.1165","0.119","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105743","6.4217","0.0002","18.0295","0.0006","9.574","0.0002","90","","90","","90","","1108.48","0.06","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","RbDDQx2H2O","","","- C8 H4 Cl2 N2 O4 Rb -","- C8 H4 Cl2 N2 O4 Rb -","- C32 H16 Cl8 N8 O16 Rb4 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0428","0.0413","","","0.1168","0.1182","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105744","6.6462","0.0001","18.2212","0.0003","9.7758","0.0002","90","","90","","90","","1183.87","0.04","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","CsDDQx2H2O","","","- C8 H4 Cl2 Cs N2 O4 -","- C8 H4 Cl2 Cs N2 O4 -","- C32 H16 Cl8 Cs4 N8 O16 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0373","0.0365","","","0.0918","0.0926","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105745","6.5601","0.0003","18.152","0.001","9.7345","0.0004","90","","90","","90","","1159.17","0.1","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","CsDDQx2H2O","","","- C8 H4 Cl2 Cs N2 O4 -","- C8 H4 Cl2 Cs N2 O4 -","- C32 H16 Cl8 Cs4 N8 O16 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0609","0.0589","","","0.1568","0.1591","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105818","10.9169","0.0009","33.039","0.003","7.9038","0.0006","90","","90","","90","","2850.8","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","BMS-927711-0.5H2SO4 H1.5-1 sesquihydrate CGRP","","- C28 H32 F2 N6 O6.5 S0.5 -","- C28 H32 F2 N6 O6.5 S0.5 -","- C112 H128 F8 N24 O26 S2 -","4","1","WF5109","Chan, E. J.; Gao, Q.; Dabros, M.","Understanding the structure details when drying hydrate crystals of pharmaceuticals ‒ interpretations from diffuse scattering and inter-modulation satellites of a partially dehydrated crystal","Acta Crystallographica Section B","2014","70","3","555","567","10.1107/S2052520614005125","","","1.54178","CuKα","","0.0417","0.0376","","","0.0975","0.1","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106500","11.116","","12.981","","5.354","","90","","90","","90","","772.565","","","","","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","K2 (Co (N C S)4) (H2 O)3","","- C4 H6 Co K2 N4 O3 S4 -","- C4 H6 Co K2 N4 O3 S4 -","- C8 H12 Co2 K4 N8 O6 S8 -","2","0.5","","Drew, M.G.B.; Othman, A.H.","Potassium tetrakis(isothiocyanato)cobaltate(II) trihydrate; a redetermination","Acta Crystallographica B (24,1968-38,1982)","1975","31","","613","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","189076","2020-10-21","18:00:00",""
"2106506","11.24","","7.65","","6.52","","90","","90","","90","","560.629","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Rb (Bi (S C N)4)","","- C4 Bi N4 Rb S4 -","- C4 Bi N4 Rb S4 -","- C8 Bi2 N8 Rb2 S8 -","2","0.5","","Galdecki, Z.; Glovka, M.L.; Golinski, B.","Crystal and molecular structure of rubidium tetrathiocyanato bismuthate(III)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2319","2321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106811","9.691","","8.017","","7.828","","90","","90","","90","","608.179","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ba S4 (H2 O)","","- Ba H2 O S4 -","- Ba H2 O S4 -","- Ba4 H8 O4 S16 -","4","1","","Abrahams, S. C.; Bernstein, J. L.","Measurement of the Structure of Piezoelectric Ba S4 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1969","25","11","2365","2370","10.1107/S0567740869005711","","","","","","","","","","","","","","","","","","","","","has coordinates","189185","2020-10-21","18:00:00",""
"2107186","8.027","","10.298","","3.816","","90","","90","","90","","315.438","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(N D4)2 (C2 O4) (D2 O)","","- C2 D10 N2 O5 -","- C2 D10 N2 O5 -","- C4 D20 N4 O10 -","2","0.5","","Taylor, J.C.; Sabine, T.M.","Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3340","3351","","","","","","","","","","","","","","","","","","","","","","has coordinates","167968","2020-10-21","18:00:00",""
"2107394","16.912","","13.946","","4.079","","90","","90","","90","","962.052","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","La3 In S6","","- In La3 S6 -","- In La3 S6 -","- In4 La12 S24 -","4","1","","Carre, D.; Guittard, M.; Adolphe, C.","Structure cristalline du sulfure de lanthane et d'indium La3 In S6","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3499","3501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107468","23.52","0.01","23.52","0.01","5.03","0.01","90","","90","","90","","2783","6","10","","10","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca36 Co18 O126 Si36 -","18","4.5","BP5083","Sazonov, Andrew; Hutanu, Vladimir; Meven, Martin; Roth, Georg; Kézsmárki, István; Murakawa, Hiroshi; Tokura, Yoshinori; Náfrádi, Bálint","The low-temperature crystal structure of the multiferroic melilite Ca~2~CoSi~2~O~7~","Acta Crystallographica Section B","2016","72","1","126","132","10.1107/S2052520615023057","","","1.1695","neutron","","0.0428","0.0428","","","0.0988","0.0988","","","","","","3.17","","","","has coordinates,has Fobs","176611","2020-10-21","18:00:00",""
"2108049","19.7808","0.0013","8.9659","0.0006","6.0713","0.0004","90","","90","","90","","1076.76","0.12","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C8 H11 N2 O7.5 -","- C8 H11 N2 O7.5 -","- C32 H44 N8 O30 -","4","1","BP5095","Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Singh, Budhendra; Bdikin, Igor; Saini, Anupama; Gopalaiah, Kovuru; Kumar, Binay","Crystal structure of bis(L-asparaginium hydrogensquarate) monohydrate","Acta Crystallographica, Section B","2017","73","3","347","359","10.1107/S2052520617002906","","","0.71073","MoKα","","0.0381","0.0347","","","0.0842","0.086","","","","","","1.089","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2108293","6.7573","0.0004","19.5874","0.001","5.7344","0.001","90","","90","","90","","758.99","0.15","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H22 Ca O12 -","- C12 H22 Ca O12 -","- C24 H44 Ca2 O24 -","2","0.5","","Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.","Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013720","","","0.7749","Synchrotron","","0.0333","0.0333","","","0.0819","0.0819","","","","","","1.072","","","","has coordinates,has Fobs","212029","2020-10-21","18:00:00",""
"2108677","30.3989","0.0002","16.1024","0.00015","9.66944","0.00007","90","","90","","90","","4733.14","0.06","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H54.5 F2 N6 O17.25 -","- C46 H54.5 F2 N6 O17.25 -","- C184 H218 F8 N24 O69 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0454","0.0443","","","0.1322","0.1339","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","256764","2020-10-21","18:00:00",""
"2108680","29.1612","0.0004","9.207","0.0001","4.7387","0.0001","90","","90","","90","","1272.28","0.03","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-ascorbic acid picolinic acid cocrystal","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","PX5026","Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.","A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012421","","","0.71073","MoKα","","0.0351","0.0324","","","0.084","0.0863","","","","","","1.047","","","","has coordinates,has Fobs","258720","2020-11-04","05:00:56",""
"2108681","29.0583","0.0002","9.15479","0.00008","4.70223","0.00004","90","","90","","90","","1250.9","0.018","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-ascorbic acid picolinic acid cocrystal","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","","Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.","A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012421","","","0.71073","MoKα","","0.0289","0.0276","","","0.0765","0.0778","","","","","","1.066","","","","has coordinates,has Fobs","258720","2020-11-04","05:00:57",""
"2200057","11.7629","0.0002","34.5731","0.0006","5.3477","0.0002","90","","90","","90","","2174.8","0.1","120","","120","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N^α^(2-nitrobenzenesulfonyl)-N^ε^-benzyloxycarbonyl-L-lysine","","- C20 H23 N3 O8 S -","- C20 H23 N3 O8 S -","- C80 H92 N12 O32 S4 -","4","1","NA6015","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","<i>N</i>^{ε^}-Benzyloxycarbonyl-<i>N</i>^{α^}-(2-nitrobenzenesulfonyl)-<small>L</small>-lysine","Acta Crystallographica Section E","2001","57","1","o48","o49","10.1107/S1600536800018961","","","0.71073","MoKα","","0.058","0.039","","","","0.077","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200085","7.056","0.001","16.376","0.003","5.585","0.001","90","","90","","90","","645.34","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Dieuropium(III) silicodimonophosphatediphosphate","Dieuropium(III) silicodimonophosphatediphosphate","","- Eu2 O15 P4 Si -","- Eu2 O15 P4 Si -","- Eu4 O30 P8 Si2 -","2","0.5","BR6001","Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M.","Dieuropium(III) silicodimonophosphatediphosphate","Acta Crystallographica Section E","2001","57","2","i12","i14","10.1107/S1600536801001519","","","0.71073","MoKα","","0.026","0.025","","","","0.064","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200917","10.631","0.003","13.283","0.003","5.214","0.003","90","","90","","90","","736.3","0.5","296.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 N4 Ni O6 -","- C12 H14 N4 Ni O6 -","- C24 H28 N8 Ni2 O12 -","2","0.5","NA6112","Odoko, Mamiko; Adachi, Yukari; Okabe, Nobuo","Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]nickel(II)","Acta Crystallographica Section E","2002","58","1","m7","m9","10.1107/S1600536801020335","","","0.7107","MoKα","","","0.0194","","","","0.0573","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200952","13.1983","0.0018","19.015","0.003","8.8486","0.0012","90","","90","","90","","2220.7","0.6","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoyl]-5,5',6,6',7,7',8,8'-Octahydro -1,1'-Binaphthyl","","- C52 H56 O2 P2 -","- C52 H56 O2 P2 -","- C104 H112 O4 P4 -","2","0.5","OB6106","Guo, Rongwei; Wu, Jing; Kowk, Waihim; Chen, Jian; Choi, Michael C. K.; Zhou, Zhongyuan","(<i>S</i>)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl","Acta Crystallographica Section E","2002","58","3","o270","o271","10.1107/S1600536802001010","","","0.71073","MoKα","","0.0904","0.0487","","","0.1126","0.1278","","","","","","0.925","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201055","15.0595","0.0004","17.1977","0.0006","10.8465","0.0004","90","","90","","90","","2809.12","0.16","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","α,α-trehalose ditrityl hexaacetate","2,3,4-tri-O-acetyl-6-O-trityl-1-O-(2,3,4-tri-O-acetyl-6-O-tritylα-D- glucopyranosyl)-α-D-glucopyranose","","- C62 H62 O17 -","- C62 H62 O17 -","- C124 H124 O34 -","2","0.5","CF6162","Baddeley, Thomas C.; Clow, Simon M.; Cox, Philip J.; Davidson, Iain G.; Howie, R. Alan; Wardell, James L.","Ditrityl α,α-trehalose hexaacetate","Acta Crystallographica Section E","2002","58","5","o476","o477","10.1107/S1600536802005408","","","0.71073","MoKα","","0.0744","0.0435","","","0.0895","0.101","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201209","15.23","0.004","5.789","0.001","9.415","0.002","90","","90","","90","","830.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(1R,2R)-Bis(4-pyridylmethyleneamino)cyclohexane","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","WW6018","Xue-Jun Yuan; Yi-Zhi Li; Yong-Jiang Liu; Yun-Qi Tian; Xiao-Zeng You","(1<i>R</i>,2<i>R</i>)-Bis(4-pyridylmethyleneamino)cyclohexane","Acta Crystallographica Section E","2002","58","6","o640","o641","10.1107/S160053680200822X","","","0.71073","MoKα","","0.0585","0.0532","","","0.1391","0.1432","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201806","12.1097","0.0015","24.311","0.003","9.209","0.0015","90","","90","","90","","2711.1","0.6","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5,11,17,23-Tetrakis(diphenylphosphinoyl)-25,26,27,28-tetrapropoxycalix[4]arene","","- C64 H66 O6 P2 -","- C64 H66 O6 P2 -","- C128 H132 O12 P4 -","2","0.5","BT6246","Jeunesse, Cathérine; Matt, Dominique; Jones, Peter G.; Thönnessen, Holger","5,17-Bis(diphenylphosphinoyl)-25,26,27,28-tetrapropoxycalix[4]arene","Acta Crystallographica Section E","2003","59","4","o428","o429","10.1107/S160053680300494X","","","0.71073","MoKα","","0.04","0.034","","","0.0831","0.0851","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201892","17.917","0.001","18.126","0.001","7.668","0.001","90","","90","","90","","2490.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Mansonone H","4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","2","CI6209","Xin-Dong Guo; Cheng-Zhu Liao; Lin Ma; Lian-Quan Gu","4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[<i>de</i>]chromene-7,8-dione","Acta Crystallographica Section E","2003","59","4","o558","o560","10.1107/S1600536803006366","","","0.71073","MoKα","","0.0927","0.0529","","","0.1256","0.1477","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202860","10.1341","0.0013","16.168","0.002","6.9249","0.0009","90","","90","","90","","1134.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N'-Bis(salicylidene)-1,2-(1S,2S)-(-)-diphenyl-1,2-ethanediamine","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","0.5","OM6169","Korendovych, Ivan V.; Rybak-Akimova, Elena V.","(‒)-(1<i>S</i>,2<i>S</i>)-<i>N,N</i>'-Bis(salicylidene)-1,2-diphenyl-1,2-ethanediamine","Acta Crystallographica Section E","2003","59","10","o1498","o1500","10.1107/S1600536803019603","","","0.71073","MoKα","","0.0458","0.0416","","","0.1123","0.1172","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203265","5.5919","0.0005","9.2507","0.001","7.9146","0.0009","90","","90","","90","","409.41","0.07","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H10 O3 S2 -","- C6 H10 O3 S2 -","- C12 H20 O6 S4 -","2","0.5","BT6407","Brewer, A. David; Ferguson, George; Lough, Alan J.; Strunk, Richard J.","2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4-trioxide","Acta Crystallographica Section E","2004","60","3","o392","o394","10.1107/S1600536804003356","","","0.71073","MoKα","","0.0674","0.0562","","","0.1363","0.1432","","","","","","1.159","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203551","10.3879","0.0002","11.5449","0.0003","5.7426","0.0001","90","","90","","90","","688.69","0.03","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-acetyl-L-alanine","","- C5 H9 N O3 -","- C5 H9 N O3 -","- C20 H36 N4 O12 -","4","1","BT6448","Görbitz, Carl Henrik; Sagstuen, Einar","<i>N</i>-Acetyl-<small>L</small>-alanine","Acta Crystallographica Section E","2004","60","5","o860","o862","10.1107/S1600536804009353","","","0.71073","MoKα","","0.0413","0.0367","","","0.0975","0.0999","","","","","","1.123","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204481","9.7007","0.0009","20.774","0.002","8.9149","0.0009","90","","90","","90","","1796.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(S)-(-)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi- 1,3-benzodioxole","","- C42 H36 O4 P2 -","- C42 H36 O4 P2 -","- C84 H72 O8 P4 -","2","0.5","CV6394","Jiang Cheng; Yan-Hui Sun; Yi Pan; Jian-Hua Xu","(<i>S</i>)-(‒)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-benzodioxole","Acta Crystallographica Section E","2004","60","11","o2133","o2134","10.1107/S1600536804026510","","","0.71073","MoKα","","0.0394","0.0345","","","0.0789","0.0809","","","","","","0.989","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204595","16.396","0.004","31.633","0.008","7.1438","0.0019","90","","90","","90","","3705.2","1.6","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1-Benzylsulfanyl-2-(benzylsulfanylmethyl)propanaminium chloride","","- C18 H24 Cl N S2 -","- C18 H24 Cl N S2 -","- C144 H192 Cl8 N8 S16 -","8","2","YA6215","Cline, Daniel J.; Schnieder, Joel P.; Thorpe, Colin; Yap, Glenn P. A.","1-Benzylsulfanyl-2-(benzylsulfanylmethyl)propanaminium chloride","Acta Crystallographica Section E","2004","60","11","o1972","o1974","10.1107/S1600536804024924","","","0.71073","MoKα","","0.05","0.048","","","0.125","0.127","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204659","18.99","0.006","5.829","0.002","8.839","0.003","90","","90","","90","","978.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(R,R)-N,N'-Bis(5-chloro-salicylidene)-1,2-cyclohexanediamine","(R,R)-4,4'-dichloro-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol","","- C20 H20 Cl2 N2 O2 -","- C20 H20 Cl2 N2 O2 -","- C40 H40 Cl4 N4 O4 -","2","0.5","CV6411","Yang, Ming-Hua; Li, Yi-Zhi; Zhu, Cheng-Jian; Pan, Yi; Liu, Shan-Hui","(<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(5-chlorosalicylidene)-1,2-cyclohexanediamine","Acta Crystallographica Section E","2004","60","12","o2397","o2398","10.1107/S1600536804029319","","","0.71073","MoKα","","0.0628","0.0538","","","0.1492","0.1549","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204718","9.833","0.008","18.994","0.017","6.713","0.008","90","","90","","90","","1254","2","173.1","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(2R)-2-N-(tert-Butoxycarbonyl)-Amino-3-Methyl-1,3-Butanediol","","- C10 H21 N O4 -","- C10 H21 N O4 -","- C40 H84 N4 O16 -","4","1","IS6014","Oku, Hiroyuki; Naito, Ryo; Yamada, Keiichi; Katakai, Ryoichi","A synthetic intermediate of enantiopure <i>N</i>-protected β-hydroxyvaline, (2<i>R</i>)-2-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)amino]-3-methylbutane-1,3-diol","Acta Crystallographica Section E","2004","60","12","o2462","o2464","10.1107/S1600536804030363","","","1.5418","CuKα","","","0.085","","","","0.244","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2204868","13.269","0.002","16.085","0.002","5.7278","0.0004","90","","90","","90","","1222.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","cis-3-bromo-2,2-dimethyl-5-phenyltetrahydropyran","cis-(3R,5R)-3-Bromo-2,2-dimethyl-5-phenyltetrahydropyran","","- C13 H17 Br O -","- C13 H17 Br O -","- C52 H68 Br4 O4 -","4","1","CV6419","Hartung, Jens; Svoboda, Ingrid; Schmidt, Philipp; Pfeiffer, Matthias","<i>cis</i>-(3<i>R</i>,5<i>R</i>)-3-Bromo-2,2-dimethyl-5-phenyltetrahydropyran","Acta Crystallographica Section E","2005","61","1","o15","o16","10.1107/S1600536804030995","","","0.71073","MoKα","","0.0434","0.0308","","","0.0684","0.0726","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206425","19.06","0.003","6.6887","0.0011","9.3752","0.0016","90","","90","","90","","1195.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(1S,3aR,4S,6aR)-1-(4-Hydroxy-3-methoxyphenyl)-4-(4-hydroxy-3- methylphenyl)perhydrofuro[3,4-c]furan-3a,6a-diol hexahydrate","","- C20 H34 O14 -","- C20 H26 O14 -","- C40 H52 O28 -","2","0.5","GH6022","Ying-Qian Xu; Bing Zhao; Li-Xin Yang","(1<i>S</i>,3a<i>R</i>,4<i>S</i>,6a<i>R</i>)-1-(4-Hydroxy-3-methoxyphenyl)-4-(4-hydroxy-3-methylphenyl)perhydrofuro[3,4-<i>c</i>]furan-3a,6a-diol hexahydrate","Acta Crystallographica Section E","2005","61","8","o2559","o2560","10.1107/S1600536805022117","","","0.71073","MoKα","","0.0618","0.0428","","","0.1182","0.1287","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206642","7.8212","0.0016","46.154","0.004","6.7885","0.0008","90","","90","","90","","2450.5","0.6","295","2","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N'-Diethyl-4,4'-dinitrohydrazobenzene","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C96 H108 N24 O24 -","6","1.5","BT6721","Liu, Wei; Ma, Yuan; Wang, Ru-Ji; Yin, Ying-Wu; Zhao, Yu-Fen","<i>N</i>,<i>N</i>'-Diethyl-4,4'-dinitrohydrazobenzene","Acta Crystallographica Section E","2005","61","9","o3069","o3070","10.1107/S1600536805026863","","","0.71073","MoKα","","0.0859","0.047","","","0.0888","0.1071","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206903","14.458","0.003","21.356","0.004","9.874","0.002","90","","90","","90","","3048.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","cryptotanshinone","1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione","","- C19 H20 O3 -","- C19 H20 O3 -","- C152 H160 O24 -","8","2","CI6603","Zhang, Lei; Wang, Jingkang; Qu, Yi","1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione","Acta Crystallographica Section E","2005","61","10","o3127","o3128","10.1107/S1600536805027303","","","0.71073","MoKα","","0.0761","0.0466","","","0.12","0.1315","","","","","","0.906","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207402","13.1701","0.0008","10.4625","0.0006","10.6961","0.0007","90","","90","","90","","1473.84","0.16","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-4,5-dihydro- 1H-imidazole]nitratocobalt(II) nitrate","","- C20 H30 Co N8 O8 S2 -","- C20 H30 Co N8 O8 S2 -","- C40 H60 Co2 N16 O16 S4 -","2","0.5","XU6046","Li-Ya Wang; Jiu-Li Chang; Kai Jiang; Lu-Fang Ma; Yu-Fang Wang","Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-4,5-dihydro-1<i>H</i>-imidazole]nitratocobalt(II) nitrate","Acta Crystallographica Section E","2005","61","11","m2230","m2231","10.1107/S1600536805031508","","","0.71073","MoKα","","0.036","0.028","","","0.073","0.078","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207676","8.7778","0.0016","24.029","0.004","4.7259","0.0009","90","","90","","90","","996.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","3-Ethoxy-4-[3-(2-ethoxy-4-formylphenoxy)propoxy]benzaldehyde","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","0.5","TK6284","Han, Jian-Rong; Zhen, Xiao-Li","3-Ethoxy-4-[3-(2-ethoxy-4-formylphenoxy)propoxy]benzaldehyde","Acta Crystallographica Section E","2005","61","12","o4069","o4070","10.1107/S1600536805036299","","","0.71073","MoKα","","0.054","0.037","","","0.088","0.1","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208164","15.371","0.004","23.889","0.006","8.94","0.003","90","","90","","90","","3282.7","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl- (E)-α,β-dehydrophenylalanyl]glycine methyl ester dihydrate","","- C30 H39 N5 O10 -","- C30 H39 N5 O10 -","- C120 H156 N20 O40 -","4","1","SG6057","Makowski, Maciej; Lisowski, Marek; Maciąg, Anna; Lis, Tadeusz","<i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>Z</i>)-α,β-dehydrophenylalanylglycyl-(<i>E</i>)-α,β-dehydrophenylalanyl]glycine methyl ester dihydrate","Acta Crystallographica Section E","2006","62","2","o807","o810","10.1107/S1600536806002273","","","1.5418","CuKα","","0.1433","0.0721","","","0.0952","0.1142","","","","","","1.177","","","","has coordinates,has Fobs","204125","2020-10-21","18:00:00",""
"2208595","12.456","0.0009","29.3559","0.0019","8.002","0.0005","90","","90","","90","","2926","0.3","130","2","130","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","brucinium hydrogen isophthalate trihydrate","2,3-dimethoxy-10-oxostrychnidinium 3-carboxybenzoate trihydrate","","- C31 H38 N2 O11 -","- C31 H38 N2 O11 -","- C124 H152 N8 O44 -","4","1","FL2011","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","2,3-Dimethoxy-10-oxostrychnidinium 3-carboxybenzoate trihydrate: the 1:1 proton-transfer compound of brucine with isophthalic acid","Acta Crystallographica Section E","2006","62","4","o1553","o1555","10.1107/S1600536806010026","","","0.71073","MoKα","","0.0866","0.0536","","","0.0869","0.0948","","","","","","0.854","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208651","10.4213","0.0016","22.729","0.004","6.3769","0.001","90","","90","","90","","1510.5","0.4","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1R,2R)-(+)-4,4'-Di-tert-butyl-2,2'-[1,2-diphenylethane-1,2- diylbis(nitrilomethylidyne)]diphenol","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C72 H80 N4 O4 -","2","0.5","KP6083","Korendovych, Ivan V.; Makhlynets, Olga V.; Buzak, Sara K.; Flook, Margaret; Kryatov, Sergey V.; Haas, Terry E.; Rybak-Akimova, Elena V.","(1<i>R</i>,2<i>R</i>)-(+)-4,4'-Di-<i>tert</i>-butyl-2,2'-[1,2-diphenylethane-1,2-diylbis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2006","62","4","o1240","o1242","10.1107/S1600536806007136","","","0.71073","MoKα","","0.141","0.0476","","","0.101","0.1263","","","","","","0.878","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208750","12.609","0.002","13.235","0.003","9.689","0.002","90","","90","","90","","1616.9","0.6","299","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(R)-1-Phenylethanaminium‒(S,S)-2,3-dibromosuccinate‒ (R,R)-2,3-dibromosuccinic acid‒water (2/1/1/2)","","- C12 H17 Br2 N O5 -","- C12 H17 Br2 N O5 -","- C48 H68 Br8 N4 O20 -","4","1","WN2006","Andreas Fischer","(<i>R</i>)-1-Phenylethanaminium‒(<i>S</i>,<i>S</i>)-2,3-dibromosuccinate‒(<i>R</i>,<i>R</i>)-2,3-dibromosuccinic acid‒water (2/1/1/2)","Acta Crystallographica Section E","2006","62","4","o1281","o1283","10.1107/S1600536806007628","","","0.71073","MoKα","","0.104","0.059","","","0.099","0.12","","","","","","1.21","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208769","8.718","0.002","20.264","0.006","7.882","0.002","90","","90","","90","","1392.4","0.6","294","2","294","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(2S,3S,5R)-3,5-dimethyl-2-(3-chlorophenyl)-2-morpholinolium chloride","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","XU2012","Ai-Xi Hu; Gao Cao; Xin-Rong Xiao; Hong-Yan Wu","(2<i>S</i>,3S,5<i>R</i>)-2-(3-Chlorophenyl)-2-hydroxy-3,5-dimethyl-2-morpholinium chloride","Acta Crystallographica Section E","2006","62","4","o1584","o1585","10.1107/S1600536806010361","","","0.71073","MoKα","","0.054","0.035","","","0.073","0.081","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208852","8.0357","0.0018","10.545","0.002","4.3613","0.001","90","","90","","90","","369.56","0.14","293","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Bis(imidazol-1-yl)methane","","- C7 H8 N4 -","- C7 H8 N4 -","- C14 H16 N8 -","2","0.5","CV2026","Li, Jian","Bis(imidazol-1-yl)methane","Acta Crystallographica Section E","2006","62","5","o1798","o1799","10.1107/S1600536806011512","","","0.71073","MoKα","","0.0505","0.0483","","","0.1211","0.1225","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208881","24.509","0.003","4.9846","0.0005","5.8103","0.0006","90","","90","","90","","709.83","0.13","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1,5-Bis(4-chlorophenyl)penta-1,4-dien-3-one","","- C17 H12 Cl2 O -","- C17 H12 Cl2 O -","- C34 H24 Cl4 O2 -","2","0.5","FL2017","Butcher, Ray J.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Vijaya Raj, K. K.","1,5-Bis(4-chlorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2006","62","5","o1973","o1975","10.1107/S1600536806014024","","","0.71073","MoKα","","0.0951","0.0794","","","0.2283","0.2446","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209447","20.2212","0.0005","18.0889","0.0004","5.1003","0.0001","90","","90","","90","","1865.58","0.07","100","0.1","297","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","4-Methyl-3H-pyrrolo[2,3-c]quinoline","4-Methyl-3H-pyrrolo[2,3-c]quinoline","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","CI2069","Akkharawit Kanjana-opas; Somrak Panphon; Hoong-Kun Fun; Suchada Chantrapromma","4-Methyl-3<i>H</i>-pyrrolo[2,3-<i>c</i>]quinoline","Acta Crystallographica Section E","2006","62","7","o2728","o2730","10.1107/S1600536806021088","","","0.71073","MoKα","","0.0417","0.037","","","0.0896","0.0994","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2211684","16.082","0.003","23.602","0.005","9.71","0.002","90","","90","","90","","3685.6","1.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(4-formylbenzoato-<i>κ</i>^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-\ <i>κ</i>^2^<i>N</i>,<i>N</i>')cadmium(II)‒bis(<i>μ</i>~2~-4-\ formylbenzoato-<i>κ</i>^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-\ <i>κ</i>^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>κ</i>^2^<i>N</i>,\ <i>N</i>')cadmium(II)] (1/1)","","- C84 H54 Cd3 N6 O18 -","- C84 H54 Cd3 N6 O18 -","- C168 H108 Cd6 N12 O36 -","2","0.5","XU2164","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Bis(4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')cadmium(II)‒bis(<i>{μ</i>}~2~-4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')cadmium(II)] (1/1)","Acta Crystallographica Section E","2006","62","12","m3432","m3434","10.1107/S1600536806048082","","","0.71073","MoKα","","0.051","0.033","","","0.064","0.069","","","","","","0.99","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211983","12.818","0.003","27.883","0.007","7.921","0.002","90","","90","","90","","2831","1.2","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","schisantherin A sesquihydrate","5,6-Dihydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8- tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate sesquihydrate","","- C30 H35 O10.5 -","- C30 H35 O10.5 -","- C120 H140 O42 -","4","1","XU2184","Ying Xiong; Wen-Yuan Gao; Ke-Zhong Deng; Hai-Xia Chen; Shu-Jun Wang","5,6-Dihydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-<i>f</i>][1,3]benzodioxol-5-yl benzoate sesquihydrate","Acta Crystallographica Section E","2007","63","1","o333","o334","10.1107/S1600536806053359","","","0.71073","MoKα","","0.102","0.048","","","0.109","0.131","","","","","","0.998","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212691","10.297","0.002","13.107","0.003","8.7121","0.0017","90","","90","","90","","1175.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Tetrakis(dimethylammonium) hexachloridotungsten(III) chloride","","- C8 H32 Cl7 N4 W -","- C8 H32 Cl7 N4 W -","- C16 H64 Cl14 N8 W2 -","2","0.5","SI2001","Wei Xu; Jian-Li Lin","Tetrakis(dimethylammonium) hexachlorotungstate(III) chloride","Acta Crystallographica Section E","2007","63","3","m767","m769","10.1107/S1600536807006769","","","0.71073","MoKα","","0.0195","0.0184","","","0.0482","0.0485","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212938","10.5044","0.0002","25.4158","0.0008","7.2779","0.0002","90","","90","","90","","1943.04","0.09","296.1","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","(L-Histidinato-κ^3^N,N,O)(L-histidine-κ^2^N,O)oxovanadium(IV) perchlorate monohydrate","(α-amino-4-imidazolepropionato-κ^3^N,N,O)[α-amino-3-(1H-imidazol-3-ium- 5-yl)propionato-κ^2^N,O]oxovanadium(IV) perchlorate monohydrate","","- C12 H19 Cl N6 O10 V -","- C12 H19 Cl N6 O10 V -","- C48 H76 Cl4 N24 O40 V4 -","4","1","IS2151","Mohammad K. Islam; Chieko Tsuboya; Yoshitaro Miyashita; Ken-ichi Okamoto; Kan Kanamori","(<small>L</small>-Histidinato-κ^3^<i>N</i>,<i>N</i>,<i>O</i>)(<small>L</small>-histidine-κ^2^<i>N</i>,<i>O</i>)oxidovanadium(IV) perchlorate monohydrate","Acta Crystallographica Section E","2007","63","4","m1052","m1054","10.1107/S1600536807010744","","","0.7107","MoKα","","","0.0304","","","","0.0882","","","","","","1.011","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213979","11.284","0.003","14.918","0.004","4.5942","0.0011","90","","90","","90","","773.4","0.3","93","2","93","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N'-Di-1-naphthylurea","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C42 H32 N4 O2 -","2","0.5","TK2153","Slawin, Alexandra M. Z.; Lawson, Jeffrey; Storey, John M. D.; Harrison, William T. A.","<i>N</i>,<i>N</i>'-Di-1-naphthylurea revisited","Acta Crystallographica Section E","2007","63","6","o2925","o2927","10.1107/S1600536807016820","","","0.71073","MoKα","","0.069","0.059","","","0.144","0.15","","","","","","1.14","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214393","10.1731","0.0002","14.1431","0.0002","6.4862","0.0001","90","","90","","90","","933.23","0.03","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis{2-[(dimethylamino-κN)methyl]benzenethiolato-κS}zinc(II)","","- C18 H24 N2 S2 Zn -","- C18 H24 N2 S2 Zn -","- C36 H48 N4 S4 Zn2 -","2","0.5","SI2020","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.; Kleijn, Henk; van Koten, Gerard","Bis{2-[(dimethylamino-κ<i>N</i>)methyl]benzenethiolato-κ<i>S</i>}zinc(II)","Acta Crystallographica Section E","2007","63","7","m1847","m1847","10.1107/S1600536807027183","","","0.71073","MoKα","","0.0237","0.0203","","","0.0457","0.0469","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214443","13.5112","0.0005","18.0213","0.0006","7.5559","0.0002","90","","90","","90","","1839.78","0.1","293.5","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","1,1-Dichloro-3-(6,1,3-oxadithiaoctocan-2-ylidene)-3-nitro- 2-(4-methylphenylsulfanyl)propene","","- C15 H15 Cl2 N O3 S3 -","- C15 H15 Cl2 N O3 S3 -","- C60 H60 Cl8 N4 O12 S12 -","4","1","XU2259","Ibis, Cemil; Deniz, N.Gulsah","1,1-Dichloro-3-(6,1,3-oxadithiaoctocan-2-ylidene)-3-nitro-2-(4-methylphenylsulfanyl)propene","Acta Crystallographica Section E","2007","63","7","o3058","o3058","10.1107/S1600536807025731","","","0.7107","MoKα","","","0.037","","","","0.027","","","","","","1.131","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214794","12.189","0.003","29.983","0.005","7.3372","0.0011","90","","90","","90","","2681.5","0.9","297","2","297","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","6α-Acetoxyepoxyazadiradione","(8S*,10R*)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17- hexahydro-14,15-epoxy-5H-cyclopenta[a]phenanthrene-6α,7α-diyl diacetate","","- C30 H36 O8 -","- C30 H36 O8 -","- C120 H144 O32 -","4","1","LH2461","Wisanu Maneerat; Hoong-Kun Fun; Taweesak Buatip; Surat Laphookhieo; Suchada Chantrapromma","6α-Acetoxyepoxyazadiradione","Acta Crystallographica Section E","2007","63","8","o3583","o3584","10.1107/S1600536807035155","","","0.71073","MoKα","","0.0883","0.0513","","","0.1075","0.1247","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214839","14.4376","0.0011","15.2861","0.0012","8.0888","0.0006","90","","90","","90","","1785.2","0.2","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","cis-Bis(tricyanomethanido-κN)[tris(2-aminoethyl)amine-κ^4^N]nickel(II))","","- C14 H18 N10 Ni -","- C14 H18 N10 Ni -","- C56 H72 N40 Ni4 -","4","1","RK2024","Potočňák, Ivan; Lancz, Gábor; Růžička, Aleš; Jäger, Lothar","<i>cis</i>-Bis(tricyanomethanido-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]nickel(II)","Acta Crystallographica Section E","2007","63","8","m2072","m2073","10.1107/S1600536807031807","","","0.71073","MoKα","","0.0692","0.0406","","","0.0789","0.0906","","","","","","1.101","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214917","9.8941","0.0004","15.7201","0.0007","9.0288","0.0004","90","","90","","90","","1404.31","0.1","153","2","153","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","6β,10β-Cadinene-6,10-diol","(1S,6R,7S,10S)-7-isopropyl-10-methyl-4-methylenedecahydronaphthalene-6,10-diol","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","XU2295","Wei-Wei Dong; Kai-Bei Yu; Jian-Min Yue; Run-Hua Lu","6β,10β-Cadinene-6,10-diol: a sesquiterpenoid from the rhizome of <i>Acorus calamus</i> L.","Acta Crystallographica Section E","2007","63","8","o3579","o3579","10.1107/S1600536807035325","","","0.71073","MoKα","","0.031","0.031","","","0.089","0.09","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215670","16.221","0.003","8.4722","0.0018","10.136","0.002","90","","90","","90","","1393","0.5","292","2","292","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N'-[Methylenedi(3,5-dimethyl-o-phenylene)]diphthalimide","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C66 H52 N4 O8 -","2","0.5","SJ2357","Hai-Ling Xi; Jian-Ming Zhang; Yi-Tao Li","<i>N</i>,<i>N</i>'-[Methylenedi(3,5-dimethyl-<i>o</i>-phenylene)]diphthalimide","Acta Crystallographica Section E","2007","63","10","o4176","o4176","10.1107/S1600536807046624","","","0.71073","MoKα","","0.071","0.0486","","","0.125","0.1353","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215762","10.385","0.002","17.919","0.002","6.308","0.001","90","","90","","90","","1173.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Tetrakis[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']strontium(II) dibromide","Tetrakis[(<i>R</i>)-propionamide-κ^2^<i>O</i>,<i>O</i>']strontium(II) dibromide","","- C12 H28 Br2 N4 O8 Sr -","- C12 H28 Br2 N4 O8 Sr -","- C24 H56 Br4 N8 O16 Sr2 -","2","0.5","BG2119","Lemoine, Pascale; Viossat, Bernard; Brion, Jean Daniel; Bekaert, Alain","Tetrakis[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']strontium(II) dibromide","Acta Crystallographica Section E","2007","63","11","m2844","m2845","10.1107/S1600536807052646","","","0.71073","MoKα","","0.0906","0.0454","","","0.974","0.1108","","","","","","0.987","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216375","13.701","0.001","13.771","0.001","13.59","0.002","90","","90","","90","","2564.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(Methyl (S)-3-(imidazol-4-yl)-\ 2-{6-[(S)-2-(imidazol-4-yl)-1-(methoxycarbonyl)ethylaminocarbonyl]pyridine-\ 2-carbonylamino}propionato)copper(II) methanol sesquisolvate","","- C22.5 H25 Cu N7 O7.5 -","- C22.5 H25 Cu N7 O7.5 -","- C90 H100 Cu4 N28 O30 -","4","1","CS2055","Räisänen, Minna T.; Klinga, Martti; Leskelä, Markku; Repo, Timo","(Methyl (<i>S</i>)-3-(imidazol-4-yl)-2-{6-[(<i>S</i>)-2-(imidazol-4-yl)-1-(methoxycarbonyl)ethylaminocarbonyl]pyridine-2-carbonylamino}propionato)copper(II) methanol sesquisolvate","Acta Crystallographica Section E","2007","63","12","m3021","m3021","10.1107/S1600536807056863","","","0.71073","MoKα","","0.0821","0.0448","","","0.0891","0.1007","","","","","","0.923","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216465","13.7016","0.0005","23.168","0.0009","8.5695","0.0002","90","","90","","90","","2720.29","0.16","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethyl 3-phenyl-4-[(<i>Z</i>)-3-phenylacryloyl]5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2-carboxylate","","- C31 H33 N O6 -","- C31 H33 N O6 -","- C124 H132 N4 O24 -","4","1","GW2029","P. Ramesh; S. Murugavel; A. Subbiah Pandi; Ramalingam Murugan; S. Sriman Narayanan","Ethyl 3-phenyl-4-[(<i>Z</i>)-3-phenylacryloyl] 5-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxylate","Acta Crystallographica Section E","2007","63","12","o4873","o4873","10.1107/S1600536807059776","","","0.71073","MoKα","","0.0501","0.0358","","","0.0898","0.0986","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216480","10.1201","0.0001","23.7418","0.0003","7.3346","0.0001","90","","90","","90","","1762.28","0.04","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","catena-poly[μ-5,5'-iminoditetrazolato-κ^3^N,N':N''-bis[triaquazinc(II)] bis[[triaquazinc(II)]-μ-5,5'-iminoditetrazolato-κ^3^N,N':N''] dihydrate]","","- C8 H32 N36 O14 Zn4 -","- C8 H32 N36 O14 Zn4 -","- C16 H64 N72 O28 Zn8 -","2","0.5","HB2619","Liu, Zhao-Qing; Dong, Wen; Ng, Seik Weng","<i>catena</i>-Poly[[μ-5,5'-iminoditetrazolato-κ^3^<i>N</i>,<i>N</i>':<i>N</i>''-bis[triaquazinc(II)]] bis[[triaquazinc(II)]-μ-5,5'-iminoditetrazolato-κ^3^<i>N</i>,<i>N</i>':<i>N</i>''] dihydrate]","Acta Crystallographica Section E","2007","63","12","m2943","m2944","10.1107/S160053680705578X","","","0.71073","MoKα","","0.0213","0.0198","","","0.0536","0.0544","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216646","13.5581","0.0007","19.3022","0.0009","7.7028","0.0003","90","","90","","90","","2015.83","0.16","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4<i>R</i>,5<i>R</i>)-4,5-Bis{2-[3-(2,6-diisopropylphenyl)-2- thioxoimidazolidin-3-yl]ethyl}-2,2-dimethyl-1,3-dioxolane","","- C39 H58 N4 O2 S2 -","- C39 H58 N4 O2 S2 -","- C78 H116 N8 O4 S4 -","2","0.5","LW2040","Marshall, Colin; Harrison, William T. A.","(4<i>R</i>,5<i>R</i>)-4,5-Bis{2-[3-(2,6-diisopropylphenyl)-2-thioxoimidazolidin-3-yl]ethyl}-2,2-dimethyl-1,3-dioxolane","Acta Crystallographica Section E","2007","63","12","o4503","o4503","10.1107/S1600536807050349","","","0.71073","MoKα","","0.1394","0.0582","","","0.092","0.1103","","","","","","0.933","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217854","11.7859","0.0006","14.1972","0.0007","6.1875","0.0003","90","","90","","90","","1035.33","0.09","105","2","105","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle salt","Potassium sodium (2R,3R)-tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","BG2163","Görbitz, Carl Henrik; Sagstuen, Einar","Potassium sodium (2<i>R</i>,3<i>R</i>)-tartrate tetrahydrate: the paraelectric phase of Rochelle salt at 105 K","Acta Crystallographica Section E","2008","64","4","m507","m508","10.1107/S1600536808005266","","","0.71073","MoKα","","0.0355","0.0292","","","0.0668","0.0688","","","","","","1.063","","","","has coordinates,has Fobs","202022","2020-10-21","18:00:00",""
"2218122","11.671","0.002","27.465","0.003","5.889","0.0018","90","","90","","90","","1887.7","0.7","298","2","298","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","{2-[(3,5-Dichloro-2-oxidobenzylidene)amino-κ^2^N,O]-3-methylpentanoato- κO}(N,N'-dimethylformamide-κ<i>O</i>)copper(II)","","- C16 H20 Cl2 Cu N2 O4 -","- C16 H20 Cl2 Cu N2 O4 -","- C64 H80 Cl8 Cu4 N8 O16 -","4","1","GW2039","Xia, Jin Hong; Liu, Zheng; Wang, Yuan; Feng, Xiao Zhen","{2-[(3,5-Dichloro-2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]-3-methylpentanoato-κ<i>O</i>}(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2008","64","5","m660","m661","10.1107/S160053680800932X","","","0.71073","MoKα","","0.1239","0.0954","","","0.2265","0.2417","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218240","6.743","0.0002","8.9449","0.0002","15.4736","0.0004","90","","90","","90","","933.3","0.04","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Poly[bis(μ~2~-benzyloxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')cadmium(II)]","","- C18 H18 Cd O6 -","- C18 H18 Cd O6 -","- C36 H36 Cd2 O12 -","2","0.5","SG2235","Liu, Ji-Wei; Ng, Seik Weng","Poly[bis(μ~2~-benzyloxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')cadmium(II)]","Acta Crystallographica Section E","2008","64","5","m708","","10.1107/S1600536808010799","","","0.71073","MoKα","","0.0536","0.0437","","","0.1087","0.1245","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","194589","2020-10-21","18:00:00",""
"2218283","13.238","0.003","24.141","0.005","8.7349","0.0017","90","","90","","90","","2791.5","1","153","2","153","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Friedelan-3β-ol-17β-carboxylic Acid","3β-Hydroxyfriedelan-17β-carboxylic acid","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","XU2405","Chen, Hai-Yan; Lin, Cui-Wu; Chen, Guang-Ying; Ou, Guang-Chuan","3β-Hydroxyfriedelan-17β-carboxylic acid","Acta Crystallographica Section E","2008","64","5","o890","","10.1107/S1600536808010295","","","0.71073","MoKα","","0.0509","0.0418","","","0.1047","0.1124","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218669","13.734","0.003","15.376","0.003","7.9163","0.0016","90","","90","","90","","1671.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(±)-1-(1<i>H</i>-Benzimidazol-2-yl)ethanol","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C72 H80 N16 O8 -","8","2","DN2341","Xia, Rong; Xu, Hai-Jun","(±)-1-(1<i>H</i>-Benzimidazol-2-yl)ethanol","Acta Crystallographica Section E","2008","64","7","o1223","","10.1107/S1600536808013871","","","0.71073","MoKα","","0.1087","0.0586","","","0.1063","0.1234","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218997","6.5218","0.0007","28.586","0.003","4.512","0.0006","90","","90","","90","","841.18","0.17","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,2'-Dichloro-1,1'-[(propane-1,3-diyldioxy)bis(nitrilomethylidyne)]dibenzene","","- C17 H16 Cl2 N2 O2 -","- C17 H16 Cl2 N2 O2 -","- C34 H32 Cl4 N4 O4 -","2","0.5","FL2205","He, Xue-Ni; Dong, Wen-Kui; Bai, Wen-Juan; Yan, Hai-Bo; Lv, Zhong-Wu","2,2'-Dichloro-1,1'-[(propane-1,3-diyldioxy)bis(nitrilomethylidyne)]dibenzene","Acta Crystallographica Section E","2008","64","8","o1532","","10.1107/S1600536808021739","","","0.71073","MoKα","","0.0623","0.0419","","","0.0789","0.0861","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220080","11.58","0.0003","14.644","0.0011","4.271","0.0007","90","","90","","90","","724.27","0.13","200","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Methylene bis(dithiobenzoate)","","- C15 H12 S4 -","- C15 H12 S4 -","- C30 H24 S8 -","2","0.5","BI2313","Liang, Yao-Ren; Tong, Hung-Chun; Lo, Yih-Hsing; Lin, Chia-Her; Kuo, Ting Shen","Methylene bis(dithiobenzoate)","Acta Crystallographica Section E","2008","64","12","o2366","","10.1107/S1600536808037379","","","0.71073","MoKα","","0.1002","0.0564","","","0.1166","0.1574","","","","","","1.126","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220136","8.3781","0.0013","14.161","0.002","5.3186","0.0008","90","","90","","90","","631.01","0.16","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","1,4-Diphenylbutane-1,4-dione","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","0.5","CV2479","Wang, Zhigang","1,4-Diphenylbutane-1,4-dione","Acta Crystallographica Section E","2008","64","12","o2423","","10.1107/S1600536808038798","","","0.71073","MoKα","","0.0627","0.054","","","0.1251","0.1289","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220417","9.7799","0.0003","16.3879","0.0007","6.9771","0.0003","90","","90","","90","","1118.23","0.08","200","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","1,2-Di-<i>tert</i>-butylglycol","(1<i>S</i>*,2<i>S</i>*)-1,2-Di-<i>tert</i>-butylglycol","","- C10 H22 O2 -","- C10 H22 O2 -","- C40 H88 O8 -","4","1","BI2332","Kerscher, Tobias; Betz, Richard; Klüfers, Peter; Mayer, Peter","(1<i>S</i>*,2<i>S</i>*)-1,2-Di-<i>tert</i>-butylglycol","Acta Crystallographica Section E","2009","65","1","o211","","10.1107/S1600536808043560","","","0.71073","MoKα","","0.0514","0.041","","","0.1028","0.1089","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220683","17.733","0.002","17.293","0.0019","5.6051","0.0011","90","","90","","90","","1718.8","0.4","298","2","298","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Tetraaquabis(<i>N</i>-phenylsulfonyl-L-leucinato)cadmium(II) dihydrate","","- C24 H40 Cd N2 O12 S2 -","- C24 H40 Cd N2 O12 S2 -","- C48 H80 Cd2 N4 O24 S4 -","2","0.5","AT2702","Guan, Pei-Guo","Tetraaquabis(<i>N</i>-phenylsulfonyl-<small>L</small>-leucinato)cadmium(II) dihydrate","Acta Crystallographica Section E","2009","65","2","m172","","10.1107/S1600536809000683","","","0.71073","MoKα","","0.1067","0.0678","","","0.1794","0.2142","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220832","19.5045","0.0011","12.0182","0.0007","12.98","0.0008","90","","90","","90","","3042.6","0.3","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Dichlorido{[2-(diphenylphosphino)phenyliminomethyl]ferrocene- κ^2^<i>N</i>,<i>P</i>}platinum(II) dichloromethane hemisolvate","","- C29.5 H25 Cl3 Fe N P Pt -","- C29.5 H25 Cl3 Fe N P Pt -","- C118 H100 Cl12 Fe4 N4 P4 Pt4 -","4","1","HY2171","Xie, Yu; Wei, Ya; Hu, Jin-Gang; Zhao, Jin-Sheng; Jiang, Feng-Xing","Dichlorido{[2-(diphenylphosphino)phenyliminomethyl]ferrocene-κ^2^<i>N</i>,<i>P</i>}platinum(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2009","65","2","m138","","10.1107/S1600536808043493","","","0.71073","MoKα","","0.0559","0.0432","","","0.1094","0.1162","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220894","12.771","0.003","13.03","0.003","4.7635","0.001","90","","90","","90","","792.7","0.3","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Bis(2-bromobenzyl) trisulfide","","- C14 H12 Br2 S3 -","- C14 H12 Br2 S3 -","- C28 H24 Br4 S6 -","2","0.5","PV2135","Singh, Suneel. P.; Lough, Alan. J.; Schwan, Adrian. L.","Bis(2-bromobenzyl) trisulfide","Acta Crystallographica Section E","2009","65","2","o361","","10.1107/S1600536809001834","","","0.71073","MoKα","","0.0471","0.0337","","","0.0748","0.0805","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221345","25.3592","0.0004","16.1467","0.0002","6.0086","0.0001","90","","90","","90","","2460.33","0.06","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(7<i>R</i>,8<i>R</i>,8a<i>S</i>)-8-Hydroxy-7-phenylperhydroindolizin-3-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","2","FJ2203","Švorc, Ľubomír; Vrábel, Viktor; Žúžiová, Jozefína; Bobošíková, Mária; Kožíšek, Jozef","(7<i>R</i>,8<i>R</i>,8a<i>S</i>)-8-Hydroxy-7-phenylperhydroindolizin-3-one","Acta Crystallographica Section E","2009","65","4","o895","o896","10.1107/S160053680901085X","","","0.71073","MoKα","","0.1145","0.0334","","","0.085","0.0972","","","","","","0.975","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221519","15.479","0.002","7.1217","0.001","11.7802","0.0017","90","","90","","90","","1298.6","0.3","208","2","208","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","110649-0398-004","(<i>R</i>)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)- 1<i>H</i>-pyrazol-5-amine","","- C12 H15 N5 O S -","- C12 H15 N5 O S -","- C48 H60 N20 O4 S4 -","4","1","TK2382","Liu, Zhengyu; Liu, Kevin K.-C.; Elleraas, Jeff; Rheingold, Arnold L.; DiPasquale, Antonio; Yanovsky, Alex","(<i>R</i>)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2009","65","4","o697","","10.1107/S160053680900734X","","","0.71073","MoKα","","0.043","0.041","","","0.112","0.115","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221575","20.818","0.004","10.99","0.002","7.765","0.0016","90","","90","","90","","1776.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a- dodecahydrophenanthrene-1-carboxylic acid","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","AT2757","Chen, Yu-xiang; Zhao, Zhen-dong; Gu, Yan; Wang, Yu-min","1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid","Acta Crystallographica Section E","2009","65","5","o1117","","10.1107/S1600536809013233","","","0.71073","MoKα","","0.1016","0.0651","","","0.1621","0.1875","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221591","11.2481","0.0015","19.642","0.002","9.0668","0.0011","90","","90","","90","","2003.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","<i>N</i>-[(2<i>S</i>)-4-Chloro-2-(L-menthyloxy)-5-oxo- 2,5-dihydro-3-furyl]-L-alanine","","- C17 H26 Cl N O5 -","- C17 H26 Cl N O5 -","- C68 H104 Cl4 N4 O20 -","4","1","BQ2134","Li, Zhao-yang; Song, Xiu-mei; Wang, Zhao-yang; Yang, Kai","<i>N</i>-[(2<i>S</i>)-4-Chloro-2-(<small>L</small>-menthyloxy)-5-oxo-2,5-dihydro-3-furyl]-<small>L</small>-alanine","Acta Crystallographica Section E","2009","65","5","o1030","","10.1107/S1600536809012720","","","0.71073","MoKα","","0.0584","0.046","","","0.1117","0.12","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222002","8.55","0.002","20.706","0.006","7.972","0.003","90","","90","","90","","1411.3","0.7","298","1","298","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1,3-Bis{(+)-(<i>S</i>)-[1-(1-naphthyl)ethyl]iminomethyl}benzene dichloromethane solvate","","- C33 H30 Cl2 N2 -","- C33 H30 Cl2 N2 -","- C66 H60 Cl4 N4 -","2","0.5","FJ2198","Espinosa Leija, Armando; Hernández, Guadalupe; Cruz, Sandra; Bernès, Sylvain; Gutiérrez, René","1,3-Bis{(+)-(<i>S</i>)-[1-(1-naphthyl)ethyl]iminomethyl}benzene dichloromethane solvate","Acta Crystallographica Section E","2009","65","6","o1316","","10.1107/S1600536809017528","","","0.71073","MoKα","","0.1095","0.0596","","","0.1451","0.1863","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222124","11.779","0.004","27.996","0.01","6.361","0.002","90","","90","","90","","2097.6","1.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2'-Methylpyrazolo[4',3':16,17]androst-5-en-3β-ol","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","RK2148","Zheng, Hu-ling; Xia, Peng; Chen, Ying","2'-Methylpyrazolo[4',3':16,17]androst-5-en-3β-ol","Acta Crystallographica Section E","2009","65","6","o1436","","10.1107/S1600536809019539","","","0.71073","MoKα","","0.0908","0.065","","","0.1689","0.1781","","","","","","0.988","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222248","10.1261","0.0015","15.515","0.002","8.0467","0.0011","90","","90","","90","","1264.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","<i>cis</i>-[(7<i>R</i>,14<i>R</i>)-5,5,7,12,12,14-Hexamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>](oxalato- κ^2^<i>O</i>,<i>O</i>')nickel(II) oxalic acid solvate","","- C20 H38 N4 Ni O8 -","- C20 H38 N4 Ni O8 -","- C40 H76 N8 Ni2 O16 -","2","0.5","BT2961","Ou, Guang-Chuan; Dai, Yong-Qiang; Tang, Man-Sheng","<i>cis</i>-[(7<i>R</i>,14<i>R</i>)-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>](oxalato-κ^2^<i>O</i>,<i>O</i>')nickel(II) oxalic acid solvate","Acta Crystallographica Section E","2009","65","7","m723","","10.1107/S1600536809020042","","","0.71073","MoKα","","0.0347","0.0283","","","0.0611","0.0637","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223713","5.9323","0.0016","19.079","0.005","9.009","0.002","90","","90","","90","","1019.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(<i>R</i>,<i>R</i>)-4,4'-Dibromo-2,2'-[cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","DN2493","Yi, Jianhong; Hu, Shuangqi","(<i>R</i>,<i>R</i>)-4,4'-Dibromo-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2009","65","11","o2643","","10.1107/S1600536809039671","","","0.71073","MoKα","","0.0394","0.0316","","","0.085","0.0885","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224211","7.903","0.0019","27.862","0.007","3.9819","0.001","90","","90","","90","","876.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(<i>E</i>,<i>E</i>)-2,5-Bis(5-chloro-2-methoxyphenyl)-3,4-diazahexa-2,4-diene","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C36 H36 Cl4 N4 O4 -","2","0.5","FL2273","Chang, Jian-Guo; Lu, Jie; Zhao, Ren-Gao","(<i>E</i>,<i>E</i>)-2,5-Bis(5-chloro-2-methoxyphenyl)-3,4-diazahexa-2,4-diene","Acta Crystallographica Section E","2009","65","12","o3185","","10.1107/S1600536809048351","","","0.71073","MoKα","","0.0412","0.036","","","0.123","0.1293","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224598","18.62","0.002","11.963","0.011","5.024","0.0006","90","","90","","90","","1119.1","1","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1-[4-(3-Chloropropoxy)-2-hydroxyphenyl]ethanone","","- C11 H13 Cl O3 -","- C11 H13 Cl O3 -","- C44 H52 Cl4 O12 -","4","1","CV2661","Ma, Ya-Tuan; Wang, Jing-Jing; Liu, Xi-Wang; Yang, Sheng-Xiang; Gao, Jin-Ming","1-[4-(3-Chloropropoxy)-2-hydroxyphenyl]ethanone","Acta Crystallographica Section E","2010","66","1","o52","","10.1107/S1600536809051411","","","0.71073","MoKα","","0.0566","0.042","","","0.0937","0.1028","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224728","4.074","0.0014","21.3404","0.0007","7.395","0.006","90","","90","","90","","642.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethane-1,2-diyl bis(pyridine-3-carboxylate)","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","OM2303","Brito, Iván; Vallejos, Javier; López-Rodríguez, Matías; Cárdenas, Alejandro","Ethane-1,2-diyl bis(pyridine-3-carboxylate)","Acta Crystallographica Section E","2010","66","1","o114","","10.1107/S1600536809052106","","","0.71073","MoKα","","0.0704","0.0486","","","","0.1314","","","","","","1.271","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225055","19.7715","0.0017","8.7735","0.0007","9.3027","0.0008","90","","90","","90","","1613.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline","","- C20 H13 N3 S -","- C20.003 H13 N3 S1.001 -","- C80.012 H52 N12 S4.004 -","4","1","LH2984","Khan, F. Nawaz; Manivel, P.; Prabakaran, K.; Hathwar, Venkatesha R.; Ng, Seik Weng","5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline","Acta Crystallographica Section E","2010","66","2","o488","","10.1107/S1600536810003181","","","0.71073","MoKα","","0.0986","0.0565","","","0.1095","0.1279","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225187","8.7566","0.0006","22.9","0.002","6.9692","0.0007","90","","90","","90","","1397.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","<i>N</i>-(<i>p</i>-Tolylsulfonyl)-L-asparagine","","- C11 H14 N2 O5 S -","- C11 H14 N2 O5 S -","- C44 H56 N8 O20 S4 -","4","1","BV2133","Arshad, Muhammad Nadeem; Mubashar-ur-Rehman, Hafiz; Khan, Islam Ullah; Shafiq, Muhammad; Lo, Kong Mun","<i>N</i>-(<i>p</i>-Tolylsulfonyl)-<small>L</small>-asparagine","Acta Crystallographica Section E","2010","66","3","o541","","10.1107/S1600536810004034","","","0.71073","MoKα","","0.0616","0.0415","","","0.0902","0.0994","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226073","12.895","0.0003","33.7309","0.0008","6.5307","0.0001","90","","90","","90","","2840.59","0.1","100","0.1","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","koetjapic acid chloroform hemisolvate","(3<i>R</i>,4a<i>R</i>,4b<i>S</i>,7<i>S</i>,8<i>S</i>,10b<i>S</i>,12a<i>S</i>)- 7-(2-carboxyethyl)-3,4b,7,10b,12a-pentamethyl-8-(prop-1-en-2-yl)- 1,2,3,4,4a,4b,5,6,7,8,9,10,10b,11,12,12a-hexadecahydrochrysene-3-carboxylic acid chloroform hemisolvate","","- C30.5 H46.5 Cl1.5 O4 -","- C30.5 H46.5 Cl1.4995 O4 -","- C122 H186 Cl5.998 O16 -","4","1","CI5066","Nassar, Z. D.; Aisha, A. F. A.; Majid, A. M. S. Abdul; Yeap, Chin Sing; Fun, Hoong-Kun","Koetjapic acid chloroform hemisolvate","Acta Crystallographica Section E","2010","66","6","o1301","o1302","10.1107/S1600536810016430","","","1.54178","CuKα","","0.0675","0.0604","","","0.1588","0.1688","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2227179","11.2726","0.0017","12.0023","0.0018","9.5266","0.0014","90","","90","","90","","1288.9","0.3","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4-(4-Pyridyl)pyridinium pentaaqua(pyridazine-4,5-dicarboxylato)praseodymate(III)","","- C22 H23 N6 O13 Pr -","- C22 H23 N6 O13 Pr -","- C44 H46 N12 O26 Pr2 -","2","0.5","BQ2230","Zhang, Zhen-Qin; Xue, Xiao-Dong; Yao, Bi-Xia; Ji, Xing; Jiang, Hui-Jun","4-(4-Pyridyl)pyridinium pentaaqua(pyridazine-4,5-dicarboxylato)praseodymate(III)","Acta Crystallographica Section E","2010","66","10","m1288","","10.1107/S1600536810033477","","","0.7107","MoKα","","0.0241","0.0225","","","0.0513","0.0521","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227220","5.9529","0.0002","18.3846","0.0005","8.9704","0.0003","90","","90","","90","","981.74","0.05","120","","120","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4,4'-Dichloro-2,2'-[(3a<i>R</i>,7a<i>R</i>/3a<i>S</i>,7a<i>S</i>)- 2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3- diyl)bis(methylene)]diphenol","","- C21 H24 Cl2 N2 O2 -","- C21 H24 Cl2 N2 O2 -","- C42 H48 Cl4 N4 O4 -","2","0.5","BT5333","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","4,4'-Dichloro-2,2'-[(3a<i>R</i>,7a<i>R</i>/3a<i>S</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","Acta Crystallographica Section E","2010","66","10","o2643","","10.1107/S160053681003792X","","","1.54184","CuKα","","0.0231","0.0221","","","0.0676","0.0682","","","","","","1.5","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227255","10.9951","0.0002","17.2768","0.0003","9.1899","0.0002","90","","90","","90","","1745.71","0.06","130","2","130","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(4<i>S</i>)-(-)-4-Benzyl-2,2-dimethyl-3-<i>o</i>-toluoyl-1,3-oxazolidine","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","BT5373","Gzella, Andrzej K.; Chrzanowska, Maria; Dreas, Agnieszka; Meissner, Zofia","(4<i>S</i>)-({-})-4-Benzyl-2,2-dimethyl-3-<i>o</i>-toluoyl-1,3-oxazolidine","Acta Crystallographica Section E","2010","66","11","o2850","","10.1107/S1600536810040699","","","1.54184","CuKα","","0.027","0.0269","","","0.0728","0.0729","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227338","30.0265","0.0008","11.2297","0.0004","5.8931","0.0002","90","","90","","90","","1987.09","0.11","298","","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Trihexyphenidyl hydrochloride","1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)piperidinium chloride","","- C20 H32 Cl N O -","- C20 H32 Cl N O -","- C80 H128 Cl4 N4 O4 -","4","1","CV2721","Maccaroni, Elisabetta; Malpezzi, Luciana; Masciocchi, Norberto","Trihexyphenidyl hydrochloride: a powder diffraction study","Acta Crystallographica Section E","2010","66","10","o2511","","10.1107/S1600536810035294","powder diffraction","","1.5418","CuKα","","","","","","","","","","9.556","","","","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2227483","14.7253","0.0002","17.6696","0.0003","4.1689","0.0001","90","","90","","90","","1084.71","0.04","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","4-(dimethylamino)pyridinium tribromide","","- C7 H11 Br3 N2 -","- C7 H11 Br3 N2 -","- C28 H44 Br12 N8 -","4","1","HB5583","Ng, Seik Weng","Redetermination of 4-(dimethylamino)pyridinium tribromide","Acta Crystallographica Section E","2010","66","9","o2223","","10.1107/S1600536810030369","","","0.71073","MoKα","","0.023","0.0193","","","0.0386","0.0396","","","","","","0.979","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228094","9.0769","0.0003","29.6371","0.0007","9.3767","0.0002","90","","90","","90","","2522.45","0.12","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","N,N'-Bis[(S)-1-methoxycarbonyl-2phenylethyl]-2,5-thiophenedicarboxamide","Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5- diylbis(carbonylazanediyl)]dipropanoate","","- C26 H26 N2 O6 S -","- C26 H26 N2 O6 S -","- C104 H104 N8 O24 S4 -","4","1","XU5003","Xia, Guang-Ming; Liu, Jing; Li, Zhen; Ji, Mu-Wei; Sun, Guo-Xin","Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5-diylbis(carbonylazanediyl)]dipropanoate","Acta Crystallographica Section E","2010","66","9","o2385","","10.1107/S1600536810033210","","","0.71073","MoKα","","0.0838","0.0679","","","0.1785","0.1868","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228261","10.805","0.002","19.287","0.004","4.0738","0.0008","90","","90","","90","","849","0.3","113","2","113","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Bis[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]methane","","- C17 H12 N4 S4 -","- C17 H12 N4 S4 -","- C34 H24 N8 S8 -","2","0.5","CV2783","Wang, He-wen; Gao, Yan; Wang, Wei","Bis[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]methane","Acta Crystallographica Section E","2010","66","12","o3085","","10.1107/S1600536810044442","","","0.71073","MoKα","","0.0335","0.029","","","0.0832","0.1239","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229096","14.3095","0.0015","18.782","0.002","6.6986","0.0007","90","","90","","90","","1800.3","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2- oxidobenzylidene)phenylalaninato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","","- C18 H20 N O6 V -","- C18 H20 N O6 V -","- C72 H80 N4 O24 V4 -","4","1","HY2401","Bian, Lin; Li, Lianzhi","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2-oxidobenzylidene)phenylalaninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","Acta Crystallographica Section E","2011","67","2","m274","","10.1107/S1600536811003163","","","0.71073","MoKα","","0.0804","0.0544","","","0.1146","0.1288","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229170","11.359","0.003","14.258","0.004","7.923","0.003","90","","90","","90","","1283.2","0.7","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Tetrakis(benzylamino)phosphonium chloride","","- C28 H32 Cl N4 P -","- C28 H32 Cl N4 P -","- C56 H64 Cl2 N8 P2 -","2","0.5","NK2077","Gholivand, Khodayar; Mostaanzadeh, Hossein; Farshadian, Sedigheh","Tetrakis(benzylamino)phosphonium chloride","Acta Crystallographica Section E","2011","67","2","o311","","10.1107/S1600536810054401","","","0.71073","MoKα","","0.0495","0.036","","","0.0895","0.0935","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229767","5.9645","0.0002","18.5497","0.0004","9.0494","0.0002","90","","90","","90","","1001.22","0.05","120","","120","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4,4'-Dibromo-2,2'-{[(3a<i>S</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylidene)}diphenol","","- C21 H24 Br2 N2 O2 -","- C21 H24 Br2 N2 O2 -","- C42 H48 Br4 N4 O4 -","2","0.5","NG5118","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","4,4'-Dibromo-2,2'-{[(3a<i>S</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylidene)}diphenol","Acta Crystallographica Section E","2011","67","4","o753","","10.1107/S1600536811006489","","","1.54184","CuKα","","0.0146","0.0145","","","0.049","0.0493","","","","","","1.21","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2229812","9.145","0.006","10.716","0.007","8.292","0.005","90","","90","","90","","812.6","0.9","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2,2',2'',2'''-[Pyridine-2,6-diylbis(methylenenitrilo)]tetraethanol","","- C15 H27 N3 O4 -","- C15 H27 N3 O4 -","- C30 H54 N6 O8 -","2","0.5","RK2270","Cao, Shou-Ying; Zhou, Cheng-He","2,2',2'',2'''-[Pyridine-2,6-diylbis(methylenenitrilo)]tetraethanol","Acta Crystallographica Section E","2011","67","4","o1003","","10.1107/S1600536811010919","","","0.71073","MoKα","","0.0382","0.0361","","","0.0963","0.0981","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230782","9.615","0.008","14.132","0.014","3.991","0.004","90","","90","","90","","542.3","0.9","125","","125","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Bis(furan-2-ylcarbonyl) diselenide","","- C10 H6 O4 Se2 -","- C10 H6 O4 Se2 -","- C20 H12 O8 Se4 -","2","0.5","LH5259","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(furan-2-ylcarbonyl) diselenide","Acta Crystallographica Section E","2011","67","7","o1586","","10.1107/S160053681102085X","","","0.71075","MoKα","","","0.0502","","","","0.1312","","","","","","1.09","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230791","21.1309","0.0007","5.6572","0.0002","8.229","0.0003","90","","90","","90","","983.71","0.06","130","2","130","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","1,3-Bis[(-)-(<i>S</i>)-(1-phenylethyl)iminomethyl]benzene","","- C24 H24 N2 -","- C24 H24 N2 -","- C48 H48 N4 -","2","0.5","LR2012","García, Tania; Bernès, Sylvain; Flores-Alamo, Marcos; Hernández, Guadalupe; Gutiérrez, René","1,3-Bis[({-})-(<i>S</i>)-(1-phenylethyl)iminomethyl]benzene","Acta Crystallographica Section E","2011","67","7","o1648","o1649","10.1107/S1600536811021556","","","0.71073","MoKα","","0.0342","0.0294","","","0.0708","0.0726","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231528","10.7752","0.0011","15.869","0.0017","4.3272","0.001","90","","90","","90","","739.9","0.2","291","2","291","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Bis(2-bromo-5-methylphenoxy)methane","","- C15 H14 Br2 O2 -","- C15 H14 Br2 O2 -","- C30 H28 Br4 O4 -","2","0.5","HB6383","Niu, Jun-long; Wang, Xia; Zhang, Lin-bao; Song, Mao-ping","Bis(2-bromo-5-methylphenoxy)methane","Acta Crystallographica Section E","2011","67","9","o2539","","10.1107/S1600536811034805","","","1.54178","CuKα","","0.072","0.055","","","0.1048","0.1232","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231914","12.1437","0.0003","21.295","0.0005","5.7946","0.0001","90","","90","","90","","1498.48","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-(6-Phenyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-3-yl)-1,3- benzothiazole","","- C17 H11 N5 S2 -","- C17 H11 N5 S2 -","- C68 H44 N20 S8 -","4","1","HG5092","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(6-Phenyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-3-yl)-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","10","o2610","","10.1107/S1600536811036452","","","1.5418","CuKα","","0.0345","0.0321","","","0.081","0.0829","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232111","9.991","0.0009","18.91","0.0017","8.9747","0.0007","90","","90","","90","","1695.6","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(<i>R</i>~p~,<i>R</i>~p~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide","(<i>R</i>~P~,<i>R</i>~P~)-Bis[(2-isopropyl-5- methylcyclohexyloxy)(phenyl)phosphinoyl] disulfide","","- C32 H48 O4 P2 S2 -","- C32 H48 O4 P2 S2 -","- C64 H96 O8 P4 S4 -","2","0.5","XU5323","Xu, Zhong-Yuan; Zhao, Chang-Qiu","(<i>R</i>~P~,<i>R</i>~P~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide","Acta Crystallographica Section E","2011","67","10","o2802","","10.1107/S1600536811038165","","","0.71073","MoKα","","0.0627","0.0407","","","0.0736","0.0799","","","","","","0.908","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232157","10.296","0.002","23.503","0.005","7.906","0.0016","90","","90","","90","","1913.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","3-Methoxymethyl-16β,17β-epiestriol-16β,17β-diyl sulfate","","- C20 H26 O6 S -","- C20 H26 O6 S -","- C80 H104 O24 S4 -","4","1","BQ2303","Chen, Jian-Jun; Wang, Hai-Dong; Yao, Cheng","3-Methoxymethyl-16β,17β-epiestriol-16β,17β-diyl sulfate","Acta Crystallographica Section E","2011","67","11","o2910","","10.1107/S1600536811039213","","","0.71073","MoKα","","0.0998","0.0643","","","0.1606","0.1821","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232464","15.5268","0.0018","29.977","0.004","6.6207","0.0008","90","","90","","90","","3081.6","0.7","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","[(2<i>R</i>,3<i>S</i>,5<i>R</i>)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate","","- C14 H16 N2 O8 -","- C14 H16 N2 O8 -","- C112 H128 N16 O64 -","8","2","SU2320","Jia, Xue-Fei; Liu, Nan; Fang, Liang-Liang; Zhang, Xin-Ying","[(2<i>R</i>,3<i>S</i>,5<i>R</i>)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate","Acta Crystallographica Section E","2011","67","11","o2951","o2952","10.1107/S1600536811041304","","","0.71073","MoKα","","0.093","0.045","","","0.0896","0.1096","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233123","11.88","0.007","8.332","0.005","9.681","0.006","90","","90","","90","","958.3","1","273","2","273","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate","","- C10 H16 Cu K3 N2 O12 P -","- C10 H16 Cu K3 N2 O12 P -","- C20 H32 Cu2 K6 N4 O24 P2 -","2","0.5","CV5214","Liu, Liyan; Zhang, Rui; Fan, Ping; Yu, Zhan; Zhang, Xiangdong","Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate","Acta Crystallographica Section E","2012","68","1","m73","","10.1107/S1600536811053608","","","0.71073","MoKα","","0.0293","0.0252","","","0.0625","0.0645","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233209","18.2019","0.0009","10.4667","0.0005","11.0695","0.0006","90","","90","","90","","2108.89","0.18","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4-(butan-2-yl)-7,20-bis(1-hydroxyethyl)-10,23-bis(propan-2-yl)-12,25-dithia- 3,6,9,16,19,22,27,28-octaazatricyclo[22.2.1.1^11,14^]octacosa- 1(26),11(28),13,24(27)-tetraene-2,5,8,15,18,21-hexone acetonitrile monosolvate","","- C34 H51 N9 O8 S2 -","- C34 H51 N9 O8 S2 -","- C68 H102 N18 O16 S4 -","2","0.5","IS5015","Asano, Akiko; Doi, Mitsunobu","The desoxazoline asidiacyclamide analogue <i>cyclo</i>(Gly‒Thr‒D-Val‒Thz‒Ile‒Thr‒D-Val‒Thz) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","1","o54","o55","10.1107/S1600536811051543","","","0.71073","MoKα","","0.0773","0.0746","","","0.2101","0.213","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233494","14.2119","0.0001","14.7895","0.0001","12.0968","0.0001","90","","90","","90","","2542.59","0.03","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis{μ-2-[(dimethylamino)methyl]benzeneselenolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","","- C18.5 H25 Cl3 N2 Pd2 Se2 -","- C18 H24 Cl2 N2 Pd2 Se2 -","- C72 H96 Cl8 N8 Pd8 Se8 -","4","1","HG5157","Chakravorty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Bis{μ-2-[(dimethylamino)methyl]benzeneselenolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m113","m114","10.1107/S1600536811055322","","","0.71073","MoKα","","0.0535","0.0505","","","0.1289","0.1314","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233540","14.035","0.002","14.842","0.002","12.3188","0.0016","90","","90","","90","","2566.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","","- C18.5 H25 Cl3 N2 Pd2 Te2 -","- C18.5 H25 Cl3 N2 Pd2 Te2 -","- C74 H100 Cl12 N8 Pd8 Te8 -","4","1","JJ2116","Butcher, Ray J.; Chakravorty, Tapash; Singh, Harkesh B.","Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m141","m142","10.1107/S1600536812000104","","","0.71073","MoKα","","0.0426","0.0392","","","0.1005","0.102","","","","","","1.062","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2233811","10.4052","0.0007","53.019","0.003","10.0786","0.0006","90","","90","","90","","5560.1","0.6","118","2","118","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1D-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>- tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate)","tetrabenzyl (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-4-(<i>tert</i>- butyldiphenylsilyloxy)-3,5,6-tris(methoxymethoxy)cyclohexane-1,2-diyl bisphosphate","","- C56 H68 O15 P2 Si -","- C56 H68 O15 P2 Si -","- C224 H272 O60 P8 Si4 -","4","1","GK2443","Anderson, Regan J.; Gainsford, Graeme J.","1<small>D</small>-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>-tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate)","Acta Crystallographica Section E","2012","68","3","o900","","10.1107/S1600536812008069","","","0.71073","MoKα","","0.0791","0.0707","","","0.1754","0.1809","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233908","9.7438","0.0006","9.9953","0.0005","12.1342","0.0006","90","","90","","90","","1181.78","0.11","296","","296","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2-Chloro-4-{(<i>E</i>)-[(4-chlorophenyl)imino]methyl}phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","JJ2120","Şahin, Zarife Sibel; Işık, Şamil","2-Chloro-4-{(<i>E</i>)-[(4-chlorophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","3","o678","","10.1107/S1600536812005193","","","0.71073","MoKα","","0.0406","0.0306","","","0.0611","0.0637","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234081","11.8364","0.0012","32.598","0.003","3.7306","0.0004","90","","90","","90","","1439.4","0.3","291","2","291","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","2,3,4-Trihydroxybenzoic acid 0.25-hydrate","","- C7 H6.5 O5.25 -","- C7 H6.5 O5.25 -","- C56 H52 O42 -","8","2","ZS2181","Li, Jin-Hang; Dong, Fu-Yue; Cai, Fang; Yuan, Xiao-Feng; Jiang, Ren-Wang","2,3,4-Trihydroxybenzoic acid 0.25-hydrate","Acta Crystallographica Section E","2012","68","3","o825","o826","10.1107/S160053681200709X","","","0.71073","MoKα","","0.051","0.0358","","","0.0842","0.0904","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234271","15.9784","0.0003","30.6984","0.0008","8.7072","0.0002","90","","90","","90","","4270.98","0.17","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[Disulfanediylbis(ferrocenylthiophosphinato)- κ^2^<i>O</i>,<i>O</i>]titanocene tetrahydrofuran trisolvate","","- C42 H52 Fe2 O5 P2 S4 Ti -","- C42 H52 Fe2 O5 P2 S4 Ti -","- C168 H208 Fe8 O20 P8 S16 Ti4 -","4","1","IM2362","Karakus, Mehmet; Woollins, J. Derek; Lönnecke, Peter; Hey-Hawkins, Evamarie","[Disulfanediylbis(ferrocenylthiophosphinato)-κ^2^<i>O</i>,<i>O</i>]titanocene tetrahydrofuran trisolvate","Acta Crystallographica Section E","2012","68","4","m428","","10.1107/S1600536812010811","","","0.71073","MoKα","","0.0628","0.048","","","0.1015","0.1054","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234445","9.9844","0.0003","7.4059","0.0002","9.9046","0.0003","90","","90","","90","","732.38","0.04","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","pentacalcium trizirconium docosafluoride","","- Ca5 F22 Zr3 -","- Ca5 F22 Zr3 -","- Ca10 F44 Zr6 -","2","0.5","WM2595","Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel","Ca~5~Zr~3~F~22~","Acta Crystallographica Section E","2012","68","4","i23","","10.1107/S1600536812008495","","","0.71073","MoKα","","0.0481","0.0356","","","0.0534","0.0575","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234835","11.1952","0.0004","13.8545","0.0006","10.4651","0.0003","90","","90","","90","","1623.18","0.1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis{2-[(4-chlorophenyl)iminomethyl]pyrrol-1-ido- κ^2^<i>N</i>,<i>N</i>'}bis(dimethylamido-κ<i>N</i>)titanium(IV) toluene monosolvate","","- C33 H36 Cl2 N6 Ti -","- C33 H36 Cl2 N6 Ti -","- C66 H72 Cl4 N12 Ti2 -","2","0.5","WM2614","Chen, Zhou; Wu, Jian; Li, Yahong; Hu, Bin","Bis{2-[(4-chlorophenyl)iminomethyl]pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>'}bis(dimethylamido-κ<i>N</i>)titanium(IV) toluene monosolvate","Acta Crystallographica Section E","2012","68","5","m596","m597","10.1107/S1600536812014961","","","0.71073","MoKα","","0.0399","0.0348","","","0.0987","0.1031","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234946","8.5315","0.0003","15.1772","0.0006","5.6107","0.0002","90","","90","","90","","726.5","0.05","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3,3'-Carbonyldipyridinium diperchlorate","","- C11 H10 Cl2 N2 O9 -","- C11 H10 Cl2 N2 O9 -","- C22 H20 Cl4 N4 O18 -","2","0.5","BT5923","Zhang, Ya; Li, Ai-min; Wang, Zhi-wei; Wan, Chong-Qing","3,3'-Carbonyldipyridinium bis(perchlorate)","Acta Crystallographica Section E","2012","68","6","o1896","","10.1107/S1600536812022817","","","0.71073","MoKα","","0.029","0.0277","","","0.0722","0.0733","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238186","13.987","0.0004","15.7103","0.0004","8.5532","0.0003","90","","90","","90","","1879.48","0.1","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3-({[Bis(2-methylpropyl)carbamothioyl]amino}carbonyl)benzamide","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C68 H100 N12 O8 S4 -","4","1","HG5326","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-({[Bis(2-methylpropyl)carbamothioyl]amino}carbonyl)benzamide","Acta Crystallographica Section E","2013","69","7","o1183","","10.1107/S1600536813017455","","","0.71073","MoKα","","0.0439","0.0386","","","0.0934","0.0974","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238249","18.5417","0.0009","6.0597","0.0004","8.9415","0.0005","90","","90","","90","","1004.64","0.1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","4,4'-Dimethyl-2,2'-{[2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C46 H60 N4 O4 -","2","0.5","SJ5327","Rivera, Augusto; Osorio, Héctor Jairo; Maldonado, Mauricio; Ríos-Motta, Jaime; Bolte, Michael","4,4'-Dimethyl-2,2'-{[2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","7","o1059","","10.1107/S1600536813015237","","","0.71073","MoKα","","0.0364","0.0344","","","0.0886","0.0899","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238329","10.5508","0.0016","28.371","0.004","10.5228","0.0014","90","","90","","90","","3149.9","0.8","200","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Tenulin 0.25-hydrate","2-Hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2<i>H</i>- 1,4-dioxadicyclopent[<i>cd</i>,<i>f</i>]azulene-3,9-dione 0.25-hydrate","","- C17 H22.5 O5.25 -","- C17 H22.5 O5.25 -","- C136 H180 O42 -","8","2","CV5419","Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.; Noll, Bruce","Tenulin 0.25-hydrate, a sesquiterpene lactone isolated from <i>Helenium amarum</i>","Acta Crystallographica Section E","2013","69","8","o1237","o1238","10.1107/S1600536813018369","","","0.71073","MoKα","","0.0604","0.0493","","","0.1158","0.1206","","","","","","1.259","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238486","21.5802","0.0006","15.3758","0.0004","5.73626","0.00014","90","","90","","90","","1903.36","0.09","291","2","291","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","1,2:1',2'-Di-<i>O</i>-isopropylidenedifuranose","6-{5-Ethyl-6-hydroxy-2,2-dimethyltetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-6a-yl}-5-ethylidene-2,2-dimethyl-tetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-6-ol","","- C18 H28 O8 -","- C18 H28 O8 -","- C72 H112 O32 -","4","1","HB7100","Zhang, Qiurong; Zhou, Guangqiang; He, Peng; Chen, Xuebin; Liu, Hongmin","1,2:1',2'-Di-<i>O</i>-isopropylidenedifuranose-C12 higher carbon sugar","Acta Crystallographica Section E","2013","69","9","o1399","","10.1107/S1600536813021776","","","1.54184","CuKα","","0.0416","0.0371","","","0.094","0.0986","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238665","17.3582","0.0015","18.5489","0.0013","8.9213","0.0008","90","","90","","90","","2872.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethyl 1'-methyl-2-oxo-4'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-2<i>H</i>-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate","","- C30 H35 N O8 -","- C30 H35 N O8 -","- C120 H140 N4 O32 -","4","1","PV2644","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl 1'-methyl-2-oxo-4'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-2<i>H</i>-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2013","69","10","o1517","o1518","10.1107/S1600536813024586","","","0.71073","MoKα","","0.0635","0.0388","","","0.0872","0.0987","","","","","","1.033","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2239028","15.0686","0.0016","24.327","0.003","3.8986","0.0004","90","","90","","90","","1429.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-Methoxy-4,6-diphenylnicotinonitrile","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","LH5683","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Swaidan, Ibrahim A.","2-Methoxy-4,6-diphenylnicotinonitrile","Acta Crystallographica Section E","2014","70","2","o228","","10.1107/S1600536814001755","","","0.71073","MoKα","","0.0481","0.0404","","","0.088","0.0933","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239482","11.1482","0.0006","13.0903","0.0007","7.0432","0.0004","90","","90","","90","","1027.84","0.1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(Dimethylphosphoryl)methanaminium hydrogen oxalate; oxalic acid","","- C6 H13 N O7 P -","- C6 H13 N O7 P -","- C24 H52 N4 O28 P4 -","4","1","","Bialek, Sebastian; Clemens, Rebecca; Reiss, Guido J.","(Dimethylphosphoryl)methanaminium hydrogen oxalate‒oxalic acid (2/1)","Acta Crystallographica Section E","2014","70","3","o312","","10.1107/S1600536814002931","","","0.71073","MoKα","","0.0195","0.0194","","","0.052","0.0521","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240346","7.9337","0.0019","20.581","0.005","5.8405","0.0014","90","","90","","90","","953.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","γ-Ethyl-<i>L</i>-glutamate <i>N</i>-carboxy anhydride","(<i>S</i>)-4-[2-(Ethoxycarbonyl)ethyl]-1,3-oxazolidine-2,5-dione","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Kanazawa, Hitoshi; Inada, Aya","Crystal structure of γ-ethyl-<small>L</small>-glutamate <i>N</i>-carboxy anhydride","Acta Crystallographica Section E","2015","71","1","110","112","10.1107/S2056989014027170","","","0.71069","MoKα","","0.0364","0.0338","","","0.0801","0.0814","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240437","12.8472","0.0004","13.6212","0.0004","7.1972","0.0003","90","","90","","90","","1259.47","0.08","290","1","290","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Niobium vanadium phosphorus decasulfide","","- Nb1.18 P S10 V0.82 -","- Nb1.1745 P S10 V0.8255 -","- Nb4.698 P4 S40 V3.302 -","4","1","","Sun, Joobin; Heo, Jiyun; Yun, Hoseop","Crystal structure of the mixed-metal thiophosphate Nb~1.18~V~0.82~PS~10~","Acta Crystallographica Section E","2015","71","3","278","280","10.1107/S2056989015003072","","","0.71073","MoKα","","0.0725","0.0449","","","0.0864","0.1034","","","","","","1.127","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240978","23.3536","0.0005","9.0434","0.0002","4.9939","0.0001","90","","90","","90","","1054.69","0.04","139.9","0.6","140","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Potassium (1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate monohydrate","","- C5 H13 K O9 S -","- C5 H13 K O9 S -","- C20 H52 K4 O36 S4 -","4","1","LH5775","Haines, Alan H.; Hughes, David L.","Crystal structure of potassium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate monohydrate","Acta Crystallographica Section E","2015","71","8","993","996","10.1107/S2056989015014139","","","0.71073","Mo-Kα","","0.0186","0.0179","","","0.0476","0.0479","","","","","","1.123","","","","has coordinates,has Fobs","153035","2020-10-21","18:00:00",""
"2241060","8.895","0.001","17.676","0.002","4.436","0.0005","90","","90","","90","","697.46","0.14","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride","","- C12 H18 Cl2 N4 -","- C12 H18 Cl2 N4 -","- C24 H36 Cl4 N8 -","2","0.5","LH5782","Trischler, Aaron; Oshin, Kayode; Pintauer, Tomislav","Crystal structure of ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride","Acta Crystallographica Section E","2015","71","9","o692","o693","10.1107/S2056989015015753","","","0.71073","MoKα","","0.0251","0.0246","","","0.0659","0.0663","","","","","","1.06","","","","has coordinates,has Fobs","153797","2020-10-21","18:00:00",""
"2241257","7.271","0.003","41.901","0.015","5.952","0.002","90","","90","","90","","1813.3","1.2","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2-{(<i>R</i>)-[1-(4-Bromophenyl)ethyl]iminomethyl}-4-(phenyldiazenyl)phenol","","- C21 H18 Br N3 O -","- C21 H18 Br N3 O -","- C84 H72 Br4 N12 O4 -","4","1","CV5499","Moriwaki, Ryoji; Akitsu, Takashiro","Crystal structure of 2-{(<i>R</i>)-[1-(4-bromophenyl)ethyl]iminomethyl}-4-(phenyldiazenyl)phenol, a chiral photochromic Schiff base","Acta Crystallographica Section E","2015","71","11","o886","o887","10.1107/S2056989015019866","","","0.71073","MoKα","","0.0307","0.026","","","0.046","0.0467","","","","","","1.012","","","","has coordinates,has Fobs","169847","2020-10-21","18:00:00",""
"2241261","18.8408","0.0007","20.2263","0.0008","6.7923","0.0003","90","","90","","90","","2588.41","0.18","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-Butyl-2-[(<i>S</i>)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide","","- C24 H35 Cl N4 O5 -","- C24 H35 Cl N4 O5 -","- C96 H140 Cl4 N16 O20 -","4","1","PK2566","Maxson, Tucker; Bertke, Jeffery A.; Gray, Danielle L.; Mitchell, Douglas A.","Crystal structure and absolute configuration of (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-[(<i>S</i>)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide and (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-{(<i>S</i>)-2-[(<i>S</i>)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2015","71","11","1401","1407","10.1107/S2056989015020046","","","0.71073","MoKα","","0.0407","0.0351","","","0.0819","0.0854","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2241422","14.8766","0.0013","29.903","0.003","7.3102","0.0006","90","","90","","90","","3252","0.5","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(diethylammonium) tetrachloridocuprate","","- C8 H24 Cl4 Cu N2 -","- C8 H24 Cl4 Cu N2 -","- C64 H192 Cl32 Cu8 N16 -","8","2","PK2565","Aldrich, Emily P.; Bussey, Katherine A.; Connell, Jennifer R.; Reinhart, Erin F.; Oshin, Kayode D.; Mercado, Brandon Q.; Oliver, Allen G.","Crystal structure of the thermochromic bis(diethylammonium) tetrachloridocuprate(II) complex","Acta Crystallographica Section E","2016","72","1","40","43","10.1107/S2056989015023348","","","0.71073","MoKα","","0.0238","0.0204","","","0.0417","0.0429","","","","","","1.095","","","","has coordinates,has Fobs","176633","2020-10-21","18:00:00",""
"2241561","21.1153","0.0016","7.7846","0.0006","6.1343","0.0005","90","","90","","90","","1008.32","0.14","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,5-Bis{[(<i>R</i>)-(-)-1-(4-fluorophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 F2 N2 S -","- C22 H20 F2 N2 S -","- C44 H40 F4 N4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0704","0.0439","","","0.082","0.0918","","","","","","1.061","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241562","21.893","0.002","7.9212","0.0006","6.2315","0.0004","90","","90","","90","","1080.66","0.15","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,5-Bis{[(<i>S</i>)-(+)-1-(4-chlorophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 Cl2 N2 S -","- C22 H20 Cl2 N2 S -","- C44 H40 Cl4 N4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.1207","0.0517","","","0.0928","0.1173","","","","","","1.011","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241639","18.2226","0.0004","13.7954","0.0005","15.5594","0.0005","90","","90","","90","","3911.4","0.2","90","0.2","90","0.2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(<i>Z</i>)-5-[2-(Benzo[<i>b</i>]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole methanol monosolvate","","- C20 H20 N4 O3 S -","- C20 H20 N4 O3 S -","- C160 H160 N32 O24 S8 -","8","2","HG5472","Penthala, Narsimha Reddy; Yadlapalli, Jaishankar K. B.; Parkin, Sean; Crooks, Peter A.","Crystal structures of (<i>Z</i>)-5-[2-(benzo[<i>b</i>]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole and (<i>Z</i>)-5-[2-(benzo[<i>b</i>]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2016","72","5","652","655","10.1107/S2056989016005600","","","1.54178","CuKα","","0.0432","0.0419","","","0.1075","0.1085","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","181991","2020-10-21","18:00:00",""
"2241783","12.3075","0.0004","13.9332","0.0007","18.6716","0.0009","90","","90","","90","","3201.9","0.2","180","2","180","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>)-2,2-Dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","PK2583","Benzalim, Ahmed; Auhmani, Aziz; Bimoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>)-2,2-dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol","Acta Crystallographica Section E","2016","72","8","1163","1166","10.1107/S2056989016011166","","","0.71073","MoKα","","0.0592","0.0467","","","0.112","0.1211","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","184622","2020-10-21","18:00:00",""
"2241864","11.0786","0.0008","18.9529","0.0014","6.699","0.0005","90","","90","","90","","1406.6","0.18","154","","154","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV)","","- C7 H22 O4 Sn2 -","- C7 H22 O4 Sn2 -","- C28 H88 O16 Sn8 -","4","1","","Otte, Felix; Koller, Stephan G.; Golz, Christopher; Strohmann, Carsten","Crystal structures of diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV) and di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","Acta Crystallographica Section E","2016","72","10","1499","1502","10.1107/S2056989016014912","","","0.71073","MoKα","","0.0152","0.0135","","","0.0262","0.0266","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","186858","2020-10-21","18:00:00",""
"2242213","14.3568","0.0008","27.0628","0.0013","5.5212","0.0002","90","","90","","90","","2145.18","0.18","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","<i>catena</i>-Poly[[[bis(ethylenediamine)platinum(II)]-μ-bromido-[bis(ethylenediamine)platinum(IV)]-μ-bromido] tetrakis(2-bromoethanesulfonate) dihydrate]","","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C32 H104 Br12 N16 O28 Pt4 S8 -","2","0.5","WM5394","Matsushita, Nobuyuki; Taira, Ayako; Taoka, Yoshiya","A one-dimensional bromide-bridged Pt^II^/Pt^IV^ mixed-valence complex with a 2-bromoethanesulfonate counter-ion","Acta Crystallographica Section E","2017","73","8","1108","1112","10.1107/S2056989017009598","","","0.71069","MoKα","","0.0654","0.0424","","","0.0941","0.1026","","","","","","1.03","","","","has coordinates,has Fobs","199178","2020-10-21","18:00:00",""
"2242243","11.0921","0.001","14.8876","0.0014","7.207","0.0007","90","","90","","90","","1190.13","0.19","125","2","125.12","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(<i>S</i>)-<i>sec</i>-Butylammonium <i>L</i>-tartrate monohydrate","","- C8 H19 N O7 -","- C8 H19 N O7 -","- C32 H76 N4 O28 -","4","1","","Publicover, Ernlie A.; Kolwich, Jennifer; Stack, Darcie L.; Doué, Alyssa J.; Ylijoki, Kai E. O.","Crystal structure of (<i>S</i>)-<i>sec</i>-butylammonium <small>L</small>-tartrate monohydrate","Acta Crystallographica Section E","2017","73","5","716","719","10.1107/S2056989017005448","","","0.71073","MoKα","","0.0468","0.0403","","","0.0984","0.1036","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199204","2020-10-21","18:00:00",""
"2300046","24.30122","0.00017","20.57261","0.00014","4.86719","0.00003","90","","90","","90","","2433.3","0.03","293","","295","","","","","","","","","3","P 21 21 2","P 2 2ab","18","Gamma Sorbitol","","","- C6 H14 O6 -","- C6 H14 O6 -","- C72 H168 O72 -","12","3","","Rukiah, Mwaffak; Lefebvre, Jacques; Hernandez, Olivier; van Beek, Wouter; Serpelloni, Michel","Ab initiostructure determination of the Γ form of D-sorbitol (D-glucitol) by powder synchrotron X-ray diffraction","Journal of Applied Crystallography","2004","37","5","766","772","10.1107/s0021889804016206","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:47",""
"2310163","7.739","0.0001","12.803","0.0002","5.829","0.0001","90","","90","","90","","577.551","0.015","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C4 H16 Ca O12 -","- C4 H16 Ca O12 -","- C8 H32 Ca2 O24 -","2","0.5","BP5075","Ventruti, Gennaro; Scordari, Fernando; Bellatreccia, Fabio; Della Ventura, Giancarlo; Sodo, Armida","Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","68","73","10.1107/S2052520614027516","","","0.71073","MoKα","","0.0228","0.0214","","","0.0709","0.0748","","","","","","0.68","","","","has coordinates,has Fobs","201406","2020-10-21","18:00:00",""
"2310538","13.64","","9.67","","3.86","","90","","90","","90","","509.129","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","N2 H5 C N5 H2","","- C H7 N7 -","- C H7 N7 -","- C4 H28 N28 -","4","1","","Bryden, J. H.","The Crystal Structure of the Hydrazine Salt of 5-Aminotetrazol","Acta Crystallographica (1,1948-23,1967)","1958","11","1","31","37","10.1107/S0365110X58000062","","","","","","","","","","","","","","","","","","","","","has coordinates","189486","2020-10-21","18:00:00",""
"2310720","9.67","","7.99","","7.81","","90","","90","","90","","603.426","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ba S4 (H2 O)","","- Ba H2 O S4 -","- Ba H2 O S4 -","- Ba4 H8 O4 S16 -","4","1","","Abrahams, S. C.","The crystal structure of barium tetrasulfide monohydrate","Acta Crystallographica (1,1948-23,1967)","1954","7","5","423","429","10.1107/S0365110X54001272","","","","","","","","","","","","","","","","","","","","","has coordinates","189185","2020-10-21","18:00:00",""
"2310958","8.017","","10.309","","3.735","","90","","90","","90","","308.687","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(N H4)2 (C2 O4) (H2 O)","","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Robertson, J.H.","Ammonium oxalate monohydrate: structure refinement at 30 K","Acta Crystallographica (1,1948-23,1967)","1965","18","","410","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","167771","2020-10-21","18:00:00",""
"2311257","12.056","0.004","19.225","0.007","6.519","0.002","90","","90","","90","","1511","0.9","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0267","0.0267","","","0.068","0.068","","","","","","1.104","","","","has coordinates","245733","2020-10-21","18:00:00",""
"2311526","11.594","0.004","17.072","0.005","4.4739","0.0012","90","","90","","90","","885.5","0.5","150.01","","150.01","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Poly[[μ~3~-(<i>S</i>)-2-amino-3-hydroxypropanoato]-<i>cis</i>-di-μ-chlorido-caesiumpalladium(II)]","","- C3 H6 Cl2 Cs N O3 Pd -","- C3 H6 Cl2 Cs N O3 Pd -","- C12 H24 Cl8 Cs4 N4 O12 Pd4 -","4","1","IM2483","Bhadbhade, Mohan Madhav; Charlson, Alexander J.","Crystal structure of poly[[μ<sub>3</sub>-(<i>S</i>)-2-amino-3-hydroxy-propano-ato]-<i>cis</i>-di-μ-chlorido-caesium-palladium(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1898","1902","10.1107/S2056989017016164","","","0.71073","MoKα","","0.0642","0.0387","","","0.0655","0.0758","","","","","","0.834","","","","has coordinates","245957","2020-10-21","18:00:00",""
"2311790","13.2299","0.0002","22.2673","0.0003","9.0772","0.0002","90","","90","","90","","2674.09","0.08","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1AEP-SnS-1","","","- C14 H26 N4 S7 Sn3 -","- C14 H26 N4 S7 Sn3 -","- C56 H104 N16 S28 Sn12 -","4","1","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0826","0.0383","","","0.0499","0.0574","","","","","","0.958","","","","has coordinates,has disorder","246106","2020-10-21","18:00:00",""
"2311791","13.1724","0.0005","22.2035","0.0011","8.9383","0.0005","90","","90","","90","","2614.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1AEP-SnS-1","","","- C14 H26 N4 S7 Sn3 -","- C14 H26 N4 S7 Sn3 -","- C56 H104 N16 S28 Sn12 -","4","1","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0388","0.0291","","","0.0432","0.0446","","","","","","1.086","","","","has coordinates,has disorder","246106","2020-10-21","18:00:00",""
"2312349","9.27898","0.00012","32.3574","0.0004","9.96336","0.00012","90","","90","","90","","2991.44","0.06","130","2","130","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine chloroform monosolvate","","- C30 H26 Cl3 N O4 -","- C30 H26 Cl3 N O4 -","- C120 H104 Cl12 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0339","0.0323","","","0.0829","0.084","","","","","","1.015","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:08",""
"4000065","7.6251","0.0005","25.4296","0.0018","5.8625","0.0004","90","","90","","90","","1136.76","0.13","198","2","198","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 N2 O5 Zn -","- C28 H22 N2 O4.38 Zn -","- C56 H44 N4 O8.76 Zn2 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0582","0.0364","","","0.088","0.0966","","","","","","1.021","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000404","12.057","0.002","16.583","0.003","8.639","0.0016","90","","90","","90","","1727.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- Se5 Sn Sr2 -","- Se5 Sn Sr2 -","- Se40 Sn8 Sr16 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0571","0.0424","","","0.0821","0.0873","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002035","8.067","0.008","23.1","0.02","4.34","0.004","90","","90","","90","","808.7","1.3","110","2","110","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 F6 I4 -","- C12 F6 I4 -","- C24 F12 I8 -","2","0.5","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.027","0.0261","","","0.0706","0.0712","","","","","","1.161","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002437","11.6","","11.6","","5.2","","90","","90","","90","","699.712","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","18","","Si O2","","- O2 Si -","- O2 Si -","- O32 Si16 -","16","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002713","18.71","0.005","7.807","0.002","10.452","0.003","90","","90","","90","","1526.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Cu2 N12 O9 -","- C26 H36 Cu2 N12 O9 -","- C52 H72 Cu4 N24 O18 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0376","0.0347","","","0.0927","0.0973","","","","","","1.047","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4002714","18.7672","0.001","7.6504","0.0004","10.1885","0.0005","90","","90","","90","","1462.83","0.13","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 Cu2 N12 O6 -","- C26 H30 Cu2 N12 O6 -","- C52 H60 Cu4 N24 O12 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0608","0.043","","","0.0822","0.0941","","","","","","1.08","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4003345","24.2854","0.001","26.7805","0.0009","12.2991","0.0006","90","","90","","90","","7999","0.6","293","2","293","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C52 H88 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C52 H74 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C208 H296 Br8 Cu8 N8 O104 P8 S8 Ti24 -","4","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.1321","0.0924","","","0.2448","0.2949","","","","","","1.017","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003660","11.8809","0.0007","20.2321","0.0012","8.0349","0.0004","90","","90","","90","","1931.39","0.19","271.5","0.3","271.5","0.3","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0758","0.0533","","","0.1273","0.1337","","","","","","1.014","","","","has coordinates","255322","2020-10-21","18:00:00",""
"4004054","22.57","0.05","28.68","0.06","10.94","0.03","90","","90","","90","","7082","3","293","2","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H46 Co6 O34 -","- C45 H46 Co6 O34 -","- C180 H184 Co24 O136 -","4","1","","Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G.","Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving","Chemistry of Materials","2021","33","22","8886","8894","10.1021/acs.chemmater.1c03170","","","1.54178","CuKα","","0.1463","0.1107","","","0.2647","0.2985","","","","","","1.099","","","","has coordinates","271067","2021-12-03","23:13:11",""
"4020431","7.781","0.003","24.48","0.011","10.034","0.004","90","","90","","90","","1911.3","1.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020499","13.18","0.03","16.3","0.04","8.618","0.019","90","","90","","90","","1852","7","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020578","25.418","0.005","6.2412","0.0012","12.466","0.003","90","","90","","90","","1977.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C44 H44 O5 -","- C23 H19 O3 -","- C92 H76 O12 -","4","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020693","14.747","0.002","18.745","0.002","5.702","0.001","90","","90","","90","","1576.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 N2 O2 -","- C14 H26 N2 O2 -","- C56 H104 N8 O8 -","4","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020725","22.246","0.011","23.698","0.011","5.599","0.002","90","","90","","90","","2952","2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H20 O9 -","- C13 H20 O9 -","- C104 H160 O72 -","8","2","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020861","25.711","0.002","37.26","0.003","10.0841","0.0009","90","","90","","90","","9660.5","1.5","496","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C74 H119 N20 O21 S5 -","- C83 H86 N20 O13 S5 -","- C332 H344 N80 O52 S20 -","4","1","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of Pentaerythrityl Tetraphenyl Ether","Journal of Organic Chemistry","2004","69","","1776","1787","10.1021/jo035311h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4021126","20.4218","0.0002","12.1169","0.0003","8.5406","0.0006","90","","90","","90","","2113.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N3 O10 -","- C18 H27 N3 O10 -","- C72 H108 N12 O40 -","4","1","","Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman","Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes","Journal of Organic Chemistry","2004","69","","6996","7003","10.1021/jo048975f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021223","12.12","0.003","18.035","0.004","9.63","0.002","90","","90","","90","","2105","0.9","298","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H29 N O3 -","- C24 H27.5 N O3 -","- C96 H110 N4 O12 -","4","1","","Katsunori Tanaka; Toyoharu Kobayashi; Hajime Mori; Shigeo Katsumura","Development of Highly Stereoselective Asymmetric 6π-Azaelectrocyclization of Conformationally Flexible Linear 1-Azatrienes. From Determination of Multifunctional Chiral Amines, 7-Alkyl cis-1-Amino-2-indanols, to Application as a New Synthetic Strategy: Formal Synthesis of 20-Epiuleine","Journal of Organic Chemistry","2004","69","","5906","5925","10.1021/jo049381f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021351","18.3556","0.0013","11.4102","0.0008","11.9476","0.0009","90","","90","","90","","2502.3","0.3","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-[(2R,3S methyl),2-[(2'-benzyloxyl-1'S-hydroxyl) ethyl]pentanoyl] borane-10,2-sultam","","- C25 H37 N O5 S -","- C25 H37 N O5 S -","- C100 H148 N4 O20 S4 -","4","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0758","0.0584","","","0.1399","0.1514","","","","","","1.049","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021661","9.2088","0.001","35.387","0.004","6.2519","0.0007","90","","90","","90","","2037.3","0.4","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanediote","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanedioate","","- C20 H28 N2 O8 -","- C20 H28 N2 O8 -","- C80 H112 N8 O32 -","4","1","","Pothiappan Vairaprakash; Mariappan Periasamy","A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine","Journal of Organic Chemistry","2006","71","","3636","3638","10.1021/jo060083n","","","0.71073","MoKα","","0.0562","0.0483","","","0.1071","0.1108","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021925","19.6992","0.0013","29.454","0.002","6.1556","0.0002","90","","90","","90","","3571.6","0.4","298","","","","","","","","","","Synthesis","4","P 21 21 2","P 2 2ab","18","","","","- C35 H47 N5 O6 -","- C35 H47 N5 O6 -","- C140 H188 N20 O24 -","4","1","","Anna S. Norgren; Frank Büttner; Samran Prabpai; Palangpon Kongsaeree; Per I. Arvidsson","β^2^-Amino Acids in the Design of Conformationally Homogeneous cyclo-Peptide Scaffolds","Journal of Organic Chemistry","2006","71","","6814","6821","10.1021/jo060854n","","x-ray","0.71073","MoKα","","0.1532","0.1204","","","0.3076","0.3416","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022044","19.017","0.003","7.7976","0.0011","8.8937","0.0012","90","","90","","90","","1318.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Azasugar","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C48 H84 N4 O20 -","4","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0412","0.0385","","","0.0836","0.0845","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022478","7.9175","0.0008","19.677","0.002","6.93","0.0007","90","","90","","90","","1079.67","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H11 F2 N3 O4 -","- C9 H10 F2 N3 O4.093 -","- C36 H40 F8 N12 O16.372 -","4","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.068","0.0391","","","0.0609","0.0663","","","","","","0.865","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022985","32.158","0.009","8.977","0.003","11.478","0.003","90","","90","","90","","3313.7","1.6","108","2","108","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C37 H36 N3 O5 -","- C34 H29 N3 O5 -","- C136 H116 N12 O20 -","4","1","","Drew R. Bobeck; Don L. Warner; Edwin Vedejs","Internal Azomethine Ylide Cycloaddition Methodology for Access to the Substitution Pattern of Aziridinomitosene A","Journal of Organic Chemistry","2007","72","","8506","8518","10.1021/jo7013559","","","0.71073","MoKα","","0.1054","0.0928","","","0.2662","0.2744","","","","","","1.339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023172","27.759","0.004","7.6628","0.001","10.4877","0.0014","90","","90","","90","","2230.9","0.5","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C104 H116 N12 O4 -","4","1","","Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa","Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate","Journal of Organic Chemistry","2008","73","","133","141","10.1021/jo701923z","","","0.71073","MoKα","","0.0725","0.0468","","","0.118","0.1355","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023305","9.5277","0.0008","10.5566","0.0009","12.3874","0.001","90","","90","","90","","1245.93","0.18","163","2","163","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Rishi G. Vaswani; A. Richard Chamberlin","Stereocontrolled Total Synthesis of (-)-Kaitocephalin","Journal of Organic Chemistry","2008","73","","1661","1681","10.1021/jo702329z","","","0.71073","MoKα","","0.0358","0.0318","","","0.0821","0.0861","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023922","15.0063","0.001","19.0084","0.0014","6.7002","0.0005","90","","90","","90","","1911.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Amino Acids: Preparation and Alkylation of Monocyclic Iminolactones Derived from α-Methyl trans-Cinnamaldehyde","Journal of Organic Chemistry","2008","73","","9527","9534","10.1021/jo801514g","","","0.71073","MoKα","","0.0742","0.0429","","","0.0976","0.1101","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024147","23.419","0.004","11.296","0.002","12.658","0.002","90","","90","","90","","3348.5","1","165","2","165","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C34 H28 Ag F3 N O5 P S2 -","- C34 H28 Ag F3 N O5 P S2 -","- C136 H112 Ag4 F12 N4 O20 P4 S8 -","4","1","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.1412","0.1192","","","0.2748","0.2803","","","","","","1.984","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024236","14.1975","0.0019","14.937","0.002","8.9175","0.0012","90","","90","","90","","1891.2","0.4","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C26 H20 -","- C26 H20 -","- C104 H80 -","4","1","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","","0.71073","MoKα","","0.0435","0.0364","","","0.0967","0.0998","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024566","7.034","0.001","25.673","0.001","8.066","0.001","90","","90","","90","","1456.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1-[(3aS,4S,6aR)-2,2-Dimethyl-5-(trifluoroacetyl)tetrahydro-3aH- [1,3]dioxolo[4,5-c]pyrrol-4-yl]cyclopropanecarboxylic Acid","","- C13 H16 F3 N O5 -","- C13 H16 F3 N O5 -","- C52 H64 F12 N4 O20 -","4","1","","Franca M. Cordero; Maria Salvati; Carolina Vurchio; Armin de Meijere; Alberto Brandi","Synthesis of α-Cyclopropyl-β-homoprolines","Journal of Organic Chemistry","2009","74","","4225","4231","10.1021/jo9004684","","x-ray","1.54178","CuKα","","0.0643","0.0392","","","0.0961","0.1233","","","","","","0.893","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024615","34.192","","8.269","","11.228","","90","","90","","90","","3174.5","","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H33 Cl3 I N3 O5 -","- C27 H33 Cl3 I N3 O5 -","- C108 H132 Cl12 I4 N12 O20 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0503","0.0382","","","0.1071","0.1136","","","","","","1.03","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4025816","9.829","0.003","15.776","0.003","10.514","0.002","90","","90","","90","","1630.3","0.7","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.096","0.0464","","","0.0865","0.1237","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026133","6.9899","0.0002","22.4792","0.0007","6.8185","0.0003","90","","90","","90","","1071.37","0.07","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C40 H60 N4 O8 S4 -","4","1","","Donn G. Wishka; Marion Bédard; Katherine E. Brighty; Richard A. Buzon; Kathleen A. Farley; Michael W. Fichtner; Goss S. Kauffman; Jaap Kooistra; Jason G. Lewis; Hardwin O'Dowd; Ivan J. Samardjiev; Brian Samas; Geeta Yalamanchi; Mark C. Noe","An Asymmetric Synthesis of (2S,5S)-5-Substituted Azepane-2-Carboxylate Derivatives","Journal of Organic Chemistry","2011","76","","1937","1940","10.1021/jo102475s","","","1.54178","CuKα","","0.0789","0.0778","","","0.1612","0.1631","","","","","","1.175","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026360","14.2022","0.0011","14.2864","0.0009","11.7464","0.0011","90","","90","","90","","2383.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H0 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.0846","0.0527","","","0.1103","0.1255","","","","","","1.027","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026378","11.214","0.0005","11.4761","0.0006","9.396","0.0005","90","","90","","90","","1209.2","0.11","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.1099","0.0959","","","0.1798","0.1896","","","","","","1.142","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026411","9.8572","0.0008","23.3339","0.0018","5.9374","0.0005","90","","90","","90","","1365.64","0.19","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu","Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics","Journal of Organic Chemistry","2011","76","","5450","5456","10.1021/jo200546a","","","0.71073","MoKα","","0.0329","0.0316","","","0.0852","0.0864","","","","","","1.079","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4027042","11.2502","0.0011","22.633","0.002","5.7548","0.0005","90","","90","","90","","1465.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N O5 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Franklin A. Davis; Narendra V. Gaddiraju; Naresh Theddu; Joshua R. Hummel; Sandeep K. Kondaveeti; Michael J. Zdilla","Enantioselective Synthesis of Cocaine C-1 Analogues using Sulfinimines (N-Sulfinyl Imines)","Journal of Organic Chemistry","2012","77","","2345","2359","10.1021/jo202652f","","","1.54178","CuKα","","0.0488","0.0407","","","0.0972","0.1033","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027144","22.038","0.002","7.2524","0.0006","13.9045","0.0013","90","","90","","90","","2222.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23.5 H20 Cl N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","1","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.1013","0.0842","","","0.2394","0.2567","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027478","21.575","0.014","8.693","0.005","10.727","0.006","90","","90","","90","","2012","2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H25 N O9 -","- C19 H25 N O9 -","- C76 H100 N4 O36 -","4","1","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.7107","MoKα","","0.113","0.0714","","","0.1576","0.1881","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027609","10.3846","0.0002","20.5813","0.0004","4.71636","0.0001","90","","90","","90","","1008.02","0.03","95","2","95","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","TF-TF","2,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","1","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0581","0.0384","","","0.0706","0.101","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027643","18.9799","0.0018","28.093","0.003","6.3717","0.0006","90","","90","","90","","3397.4","0.6","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 2","P 2 2ab","18","","","","- C32 H32 Br N5 O7 -","- C32 H32 Br N5 O7 -","- C128 H128 Br4 N20 O28 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0689","0.0494","","","0.1128","0.1211","","","","","","0.876","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027952","15.398","0.002","26.204","0.003","10.6011","0.0014","90","","90","","90","","4277.4","0.9","300","2","300","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.1112","0.0596","","","0.1301","0.1467","","","","","","0.967","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028416","10.4","0.001","19.0495","0.0017","7.6075","0.0007","90","","90","","90","","1507.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H27 Li N2 O2 -","- C12 H27 Li N2 O2 -","- C48 H108 Li4 N8 O8 -","4","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Crystal Structure and Solution State Characterization of Lithium (S)-(1-(Bis(2-methoxyethyl)amino)-3-methylbutan-2-yl)(methyl)amide","Journal of Organic Chemistry","2013","78","","7288","7292","10.1021/jo400839q","","","0.71073","","","0.0448","0.0388","","","0.1005","0.1069","","","","","","1.054","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028546","12.571","0.007","20.299","0.011","4.706","0.003","90","","90","","90","","1200.9","1.2","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H4 F4 N8 -","- C10 H4 F4 N8 -","- C40 H16 F16 N32 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.0563","0.0441","","","0.0954","0.1006","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028731","13.01","0.017","18.68","0.02","7.224","0.009","90","","90","","90","","1756","4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H62 O4 -","- C38 H62 O4 -","- C76 H124 O8 -","2","0.5","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.0713","0.0455","","","0.094","0.1057","","","","","","1.02","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028765","15.326","0.003","18.541","0.004","11.368","0.003","90","","90","","90","","3230.3","1.3","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4'R,5'R,3E)-4-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-2-methyl-but-3-en-2-ol","","- C36 H38.5 B N0.5 O5 -","- C36 H38.5 B N0.5 O5 -","- C144 H154 B4 N2 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0841","0.0467","","","0.1042","0.1145","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028922","10.2156","0.0011","14.1494","0.0012","9.4788","0.0008","90","","90","","90","","1370.1","0.2","130","2","130","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(S)-1,4-Dimethyl-5-benzyl-2,3-piperazinedithone","","- C13 H16 N2 S2 -","- C13 H16 N2 S2 -","- C52 H64 N8 S8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0376","0.0288","","","0.0591","0.0616","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029452","16.598","0.006","11.093","0.004","13.208","0.004","90","","90","","90","","2431.9","1.4","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0324","0.0287","","","0.0688","0.0709","","","","","","1.044","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029453","11.046","0.005","16.939","0.007","13.237","0.006","90","","90","","90","","2476.8","1.9","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0456","0.0369","","","0.097","0.1075","","","","","","1.076","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029532","7.5685","0.0002","28.8622","0.0005","8.1132","0.0001","90","","90","","90","","1772.28","0.06","291","2","291","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H17 F3 O2 -","- C20 H17 F3 O2 -","- C80 H68 F12 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","1.54184","CuKα","","0.0526","0.0453","","","0.1242","0.133","","","","","","1.023","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029849","14.8863","0.0002","25.4284","0.0004","6.6202","0.0001","90","","90","","90","","2505.98","0.06","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H44 O3 Si -","- C24 H44 O3 Si -","- C96 H176 O12 Si4 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","0.71073","MoKα","","0.048","0.0444","","","0.1221","0.1261","","","","","","1.066","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029965","28.0291","0.0006","25.3002","0.0005","13.8427","0.0004","90","","90","","90","","9816.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H66 Br2 O9 Si2 -","- C48 H66 Br2 O9 Si2 -","- C384 H528 Br16 O72 Si16 -","8","2","","Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk","Total synthesis of the proposed structure of trichodermatide a.","The Journal of organic chemistry","2014","79","20","9812","9817","10.1021/jo501206k","","","0.71073","MoKα","","0.0784","0.0405","","","0.0688","0.073","","","","","","0.816","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029972","20.891","0.0004","16.1795","0.0003","10.0364","0.0003","90","","90","","90","","3392.36","0.14","291","2","291.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H38.25 Cl N2 O2.13 P Pd -","- C38 H28 Cl N2 O2.125 P Pd -","- C152 H112 Cl4 N8 O8.5 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.7107","MoKα","","0.0529","0.0428","","","0.0911","0.0968","","","","","","1.044","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4031075","17.1991","0.0006","32.3567","0.0012","5.9359","0.0002","90","","90","","90","","3303.4","0.2","158","2","158","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H57 O7 -","- C34 H56.992 O7 -","- C136 H227.968 O28 -","4","1","","Jastrzębska, Izabella; Morawiak, Maja; Rode, Joanna E.; Seroka, Barbara; Siergiejczyk, Leszek; Morzycki, Jacek W.","Oxidation of Olefins with Benzeneseleninic Anhydride in the Presence of TMSOTf.","The Journal of organic chemistry","2015","80","12","6052","6061","10.1021/acs.joc.5b00410","","","1.54178","CuKα","","0.0705","0.0576","","","0.16","0.1647","","","","","","1.04","","","","has coordinates,has disorder","141368","2020-10-21","18:00:00",""
"4031363","18.848","0.004","25.98","0.005","10.209","0.002","90","","90","","90","","4999.1","1.7","93","2","93","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C33.25 H25.5 Cl0.5 P -","- C33.25 H25.5 Cl0.5 P -","- C266 H204 Cl4 P8 -","8","2","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.1053","0.0796","","","0.2041","0.2199","","","","","","0.944","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031369","9.474","","10.065","","8.409","","90","","90","","90","","801.847","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(Np O2 S O4)2 (H2 S O4) (H2 O)4","","- H10 Np2 O20 S3 -","- Np2 O20 S3 -","- Np4 O40 S6 -","2","0.5","","Alcock, N.W.; Roberts, M.M.; Brown, D.","Actinide structural studies. Part 3. The crystal and molecular structures of (U O2 S O4) (H2 S O4) (H2 O)5 and (Np O2 S O4)2 (H2 S O4) (H2 O)4","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","869","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","153985","2020-10-21","18:00:00",""
"4032068","16.7086","0.0005","21.6694","0.0008","8.223","0.0003","90","","90","","90","","2977.26","0.18","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H90 N2 O38 -","- C46 H42 N2 O38 -","- C92 H84 N4 O76 -","2","0.5","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.0761","","","","0.23","","","","","","1.099","","","","has coordinates","188628","2020-10-21","18:00:00",""
"4032210","16.865","0.007","24.087","0.01","6.115","0.003","90","","90","","90","","2484.1","1.9","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H27 N2 O5 S2 -","- C25 H27 N2 O5 S2 -","- C100 H108 N8 O20 S8 -","4","1","","Zhao, Senzhi; Andrade, Rodrigo B.","Development and Scope of the Arene-Fused Domino Michael/Mannich Reaction: Application to the Total Syntheses of Aspidosperma Alkaloids (-)-Aspidospermidine, (-)-Tabersonine, and (-)-Vincadifformine.","The Journal of organic chemistry","2017","82","1","521","531","10.1021/acs.joc.6b02551","","","0.71073","MoKα","","0.0742","0.045","","","0.1004","0.116","","","","","","1.059","","","","has coordinates","193212","2020-10-21","18:00:00",""
"4032216","11.1118","0.0009","21.422","0.0018","10.2188","0.0009","90","","90","","90","","2432.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H29 N O6 S Si -","- C23 H29 N O6 S Si -","- C92 H116 N4 O24 S4 Si4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.0744","0.0445","","","0.0704","0.0788","","","","","","1.022","","","","has coordinates","193218","2020-10-21","18:00:00",""
"4032660","18.3637","0.0001","14.1093","0.0001","12.0122","0.0001","90","","90","","90","","3112.35","0.04","150","","150","","","","","","","","local","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 O2 Si -","- C14 H26 O2 Si -","- C112 H208 O16 Si8 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.025","0.0248","","0.0668","0.0666","0.0668","","","","","","1.01","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4033141","11.6324","0.0006","26.0858","0.0014","6.4645","0.0004","90","","90","","90","","1961.59","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 Cl3 N2 O3 -","- C15 H23 Cl3 N2 O3 -","- C60 H92 Cl12 N8 O12 -","4","1","","Martinez-Alsina, Luis A; Murray, John C.; Buzon, Leanne M.; Bundesmann, Mark W.; Young, Joseph M.; O'Neill, Brian T","Spiropiperidine Sultam and Lactam Templates: Diastereoselective Overman Rearrangement and Metathesis followed by NH Arylation.","The Journal of organic chemistry","2017","82","23","12246","12256","10.1021/acs.joc.7b02096","","","1.54178","CuKα","","0.0858","0.0812","","","0.2214","0.2256","","","","","","1.133","","","","has coordinates","204838","2020-10-21","18:00:00",""
"4033347","16.6532","0.0003","21.5744","0.0004","6.152","0.0001","90","","90","","90","","2210.31","0.07","301","2","301.02","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H24 F N O -","- C28 H24 F N O -","- C112 H96 F4 N4 O4 -","4","1","","Li, Lin-Zhi; Wang, Cong-Shuai; Guo, Wei-Feng; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric [4+2] Cycloaddition of in Situ Generated o-Quinone Methide Imines with o-Hydroxystyrenes: Diastereo- and Enantioselective Construction of Tetrahydroquinoline Frameworks.","The Journal of organic chemistry","2018","83","2","614","623","10.1021/acs.joc.7b02533","","","1.54178","CuKα","","0.0441","0.0409","","","0.1044","0.1088","","","","","","1.052","","","","has coordinates","227569","2020-10-21","18:00:00",""
"4033729","9.5866","0.0005","24.3205","0.0011","9.5513","0.0004","90","","90","","90","","2226.89","0.18","205","","205","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","1","","Yang, Min; Li, Xiao-Lu; Wang, Jian-Rong; Lei, Xinxiang; Tang, Wei; Li, Xu-Wen; Sun, Han; Guo, Yue-Wei","Sarcomililate A, an Unusual Diterpenoid with Tricyclo[11.3.0.0<sup>2,16</sup>]hexadecane Carbon Skeleton, and Its Potential Biogenetic Precursors from the Hainan Soft Coral Sarcophyton mililatensis.","The Journal of organic chemistry","2019","84","5","2568","2576","10.1021/acs.joc.8b03020","","","1.54178","CuKα","","0.0428","0.0394","","","0.1099","0.1126","","","","","","1.063","","","","has coordinates","222304","2020-10-21","18:00:00",""
"4033785","20.1905","0.0009","15.9988","0.0006","9.2004","0.0003","90","","90","","90","","2971.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H28 N6 O3 -","- C36 H28 N6 O3 -","- C144 H112 N24 O12 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.0483","0.0417","","","0.0964","0.1015","","","","","","1.044","","","","has coordinates","222360","2020-10-21","18:00:00",""
"4033901","13.5577","0.0005","14.5611","0.0005","6.8904","0.0002","90","","90","","90","","1360.27","0.08","304","2","303.95","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0358","0.0324","","","0.0765","0.079","","","","","","1.044","","","","has coordinates","222477","2020-10-21","18:00:00",""
"4034048","18.9017","0.0016","26.689","0.003","6.9776","0.0006","90","","90","","90","","3520","0.6","152","2","152","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C44 H52 -","- C44 H52 -","- C176 H208 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","1.54178","CuKα","","0.0598","0.0347","","","0.0789","0.0829","","","","","","1.016","","","","has coordinates,has disorder","222608","2020-10-21","18:00:00",""
"4034239","20.2062","0.0003","13.294","0.0002","10.06784","0.0002","90","","90","","90","","2704.44","0.08","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H23 Cl N2 O6 S -","- C30 H23 Cl N2 O6 S -","- C120 H92 Cl4 N8 O24 S4 -","4","1","","Zhou, Xiao-Jian; Zhao, Jian-Qiang; Chen, Xin-Meng; Zhuo, Jun-Rui; Zhang, Yan-Ping; Chen, Yong-Zheng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalyzed Asymmetric Dearomative Aza-Michael/Michael Addition Cascade of 2-Nitrobenzofurans and 2-Nitrobenzothiophenes with 2-Aminochalcones.","The Journal of organic chemistry","2019","84","7","4381","4391","10.1021/acs.joc.9b00401","","x-ray","1.54184","CuKα","","0.0467","0.0407","","","0.1091","0.1152","","","","","","1.043","","","","has coordinates","222782","2020-10-21","18:00:00",""
"4034297","19.6655","0.0019","38.468","0.004","12.8796","0.001","90","","90","","90","","9743.3","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","zyh_wzd3651","","","- C24 H35 N O4 -","- C24 H35 N O4 -","- C384 H560 N16 O64 -","16","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54178","CuKα","","0.0742","0.0619","","","0.1828","0.1987","","","","","","0.967","","","","has coordinates","222840","2020-10-21","18:00:00",""
"4034425","14.1638","0.0003","14.8141","0.0003","7.77","0.0002","90","","90","","90","","1630.33","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H25 N O3 S -","- C15 H25 N O3 S -","- C60 H100 N4 O12 S4 -","4","1","","Kralt, Braden; Moreira, Ryan; Palmer, Michael; Taylor, Scott D.","Total Synthesis of A54145 Factor D.","The Journal of organic chemistry","2019","84","18","12021","12030","10.1021/acs.joc.9b01938","","","0.71073","MoKα","","0.0334","0.0306","","","0.0769","0.0785","","","","","","1.215","","","","has coordinates","222952","2020-10-21","18:00:00",""
"4035301","12.9162","0.0004","31.0699","0.001","5.8565","0.0002","90","","90","","90","","2350.24","0.13","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C19 H22 Cl F6 N3 O2 S -","- C19 H22 Cl F6 N3 O2 S -","- C76 H88 Cl4 F24 N12 O8 S4 -","4","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0599","0.0554","","","0.1344","0.1369","","","","","","1.15","","","","has coordinates","226765","2020-10-21","18:00:00",""
"4035661","19.9729","0.0004","10.88812","0.00017","9.57079","0.00013","90","","90","","90","","2081.33","0.06","217.98","0.1","217.98","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H32 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Liang, Kangjiang; Tong, Xiaogang; Li, Tao; Shi, Bingfei; Wang, Haiyang; Yan, Pengcheng; Xia, Chengfeng","Enantioselective Radical Cyclization of Tryptamines by Visible Light-Excited Nitroxides.","The Journal of organic chemistry","2018","83","18","10948","10958","10.1021/acs.joc.8b01597","","x-ray","1.54184","CuKα","","0.0654","0.0632","","","0.1545","0.1579","","","","","","1.111","","","","has coordinates","227109","2020-10-21","18:00:00",""
"4035677","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Herling, Madison R.; Niederer, Kyle A.; Lee, Young Eun; Vasu Govardhana Reddy, Peddiahgari; Dey, Sangeeta; Allen, Scott E.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Kim, Gina J.; Kozlowski, Marisa C.","Enantioselective Vanadium-Catalyzed Oxidative Coupling: Development and Mechanistic Insights.","The Journal of organic chemistry","2018","83","23","14362","14384","10.1021/acs.joc.8b02083","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","227125","2020-10-21","18:00:00",""
"4036035","7.2833","0.0002","12.8375","0.0003","12.4934","0.0009","90","","90","","90","","1168.12","0.09","123","","123","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Sako, Makoto; Aoki, Takanori; Zumbrägel, Nadine; Schober, Lukas; Gröger, Harald; Takizawa, Shinobu; Sasai, Hiroaki","Chiral Dinuclear Vanadium Complex-Mediated Oxidative Coupling of Resorcinols.","The Journal of organic chemistry","2019","84","3","1580","1587","10.1021/acs.joc.8b02494","","","1.54187","CuKα","","0.0592","0.0576","","","0.1565","0.1575","","","","","","1.137","","","","has coordinates","227409","2020-10-21","18:00:00",""
"4036072","15.4691","0.0004","30.463","0.0008","6.74","0.0002","90","","90","","90","","3176.13","0.15","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 O -","- C20 H28 O -","- C160 H224 O8 -","8","2","","Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.","Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02293","","","1.54178","CuKα","","0.0736","0.0529","","","0.1149","0.1261","","","","","","1.013","","","","has coordinates","227923","2020-10-21","18:00:00",""
"4036593","19.8195","0.0007","22.8286","0.0008","7.8633","0.0003","90","","90","","90","","3557.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","1","0.25","","Smith, Aaron C.; Cabral, Shawn; Kung, Daniel W.; Rose, Colin R.; Southers, James A.; García-Irizarry, Carmen N; Damon, David B.; Bagley, Scott W.; Griffith, David A.","The Synthesis of Methyl-Substituted Spirocyclic Piperidine-Azetidine (2,7-Diazaspiro[3.5]nonane) and Spirocyclic Piperidine-Pyrrolidine (2,8-Diazaspiro[4.5]decane) Ring Systems.","The Journal of organic chemistry","2016","81","9","3509","3519","10.1021/acs.joc.5b02890","","","1.54178","CuKα","","0.053","0.0475","","","0.1245","0.1292","","","","","","1.04","","","","has coordinates,has disorder","234923","2020-10-21","18:00:00",""
"4037188","20.393","0.0013","23.8095","0.0014","10.623","0.0006","90","","90","","90","","5158","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethyl 4-(1-benzyl-1H-tetrazol-5-yl)-1-cyclohexyl-3-methylene-5-phenylpyrrolidine-2-carboxylate","","- C28 H33 N5 O2 -","- C28 H33 N5 O2 -","- C224 H264 N40 O16 -","8","2","","Cardoso, Ana L.; Henriques, Marta S. C.; Paixão, José A; Pinho E Melo, Teresa M V D","(1H-Tetrazol-5-yl)-Allenes: Building Blocks for Tetrazolyl Heterocycles.","The Journal of organic chemistry","2016","81","19","9028","9036","10.1021/acs.joc.6b01679","","","0.71073","MoKα","","0.1935","0.0626","","","0.1256","0.1713","","","","","","0.965","","","","has coordinates","235771","2020-10-21","18:00:00",""
"4037414","28.3091","0.001","23.6454","0.0008","5.2375","0.0001","90","","90","","90","","3505.88","0.18","293","1","293","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H37 N5 O8 -","- C31 H37 N5 O8 -","- C124 H148 N20 O32 -","4","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.1005","0.0767","","","0.208","0.2311","","","","","","1.081","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037559","23.323","0.0002","25.0931","0.0002","7.6786","0.0001","90","","90","","90","","4493.87","0.08","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C100 H122 O25 -","- C100 H120 O25 -","- C200 H240 O50 -","2","0.5","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0562","0.0526","","","0.1599","0.1637","","","","","","1.056","","","","has coordinates,has disorder","236338","2020-10-21","18:00:00",""
"4037709","18.549","0.0002","15.9048","0.0002","7.709","0.0001","90","","90","","90","","2274.29","0.05","295","3","295","3","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H20 Br F3 N2 O -","- C26 H20 Br F3 N2 O -","- C104 H80 Br4 F12 N8 O4 -","4","1","","Xu, Xinyao; He, Yanmin; Zhou, Jingqi; Li, Xinjuan; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Michael Addition of Pyrazol-5-ones to β-Trifluoromethyl-α,β-unsaturated ketones: Stereocontrolled Construction of Vicinal Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02676","","x-ray","1.54184","CuKα","","0.032","0.0286","","","0.0731","0.0761","","","","","","1.032","","","","has coordinates","245408","2020-10-21","18:00:00",""
"4037753","18.9348","0.0006","20.293","0.0006","5.3935","0.0002","90","","90","","90","","2072.42","0.12","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H18 Br N O3 S -","- C23 H18 Br N O3 S -","- C92 H72 Br4 N4 O12 S4 -","4","1","","Hu, Sha; Wang, Jiaqi; Huang, Guanxin; Zhu, Kejie; Chen, Fener","Organocatalytic Asymmetric Domino oxa-Michael-Mannich-[1,3]-Amino Rearrangement Reaction of N-Tosylsalicylimines to α,β-Unsaturated Aldehydes by Diarylprolinol Silyl Ethers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02939","","","1.34138","GaKα","","0.0198","0.0194","","","0.0521","0.0523","","","","","","1.079","","","","has coordinates","246316","2020-10-21","18:00:00",""
"4037898","19.0731","0.0005","42.4808","0.0013","7.1555","0.0002","90","","90","","90","","5797.7","0.3","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C63 H74 Cl2 O12 -","- C63 H74 Cl2 O12 -","- C252 H296 Cl8 O48 -","4","1","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0743","0.0473","","","0.0988","0.1111","","","","","","1.037","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4038048","12.2123","0.0005","24.8626","0.001","4.7975","0.0002","90","","90","","90","","1456.66","0.1","100","2","100.03","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0563","0.043","","","0.0959","0.1021","","","","","","1.056","","","","has coordinates","249211","2020-10-21","18:00:00",""
"4038236","16.76","0.005","25.156","0.011","6.3059","0.0013","90","","90","","90","","2658.7","1.5","301.45","0.1","301.45","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H28 N2 O4 S4 -","- C27 H28 N2 O4 S4 -","- C108 H112 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","synchrotron","","0.1394","0.0788","","","0.2057","0.2595","","","","","","0.9728","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038644","14.7629","0.0006","13.4736","0.0005","8.8054","0.0003","90","","90","","90","","1751.48","0.11","250","2","250","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H16 Cl2 N2 O6 -","- C17 H16 Cl2 N2 O6 -","- C34 H32 Cl4 N4 O12 -","2","0.5","","Sun, Guodong; Wang, Zhongqing; Luo, Zhonghua; Lin, YiCao; Deng, Zhuofei; Li, Ridong; Zhang, Jiancun","Design, Synthesis and Resolution of Spirocyclic Bisoxindoles Based C2-Symmetric Diols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01155","","","0.71073","MoKα","","0.1081","0.098","","","0.296","0.3139","","","","","","1.366","","","","has coordinates","254841","2020-10-21","18:00:00",""
"4038758","31.5424","0.0007","8.3838","0.0002","11.996","0.0003","90","","90","","90","","3172.28","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H68 O8 Rh2 -","- C78 H68 O8 Rh2 -","- C156 H136 O16 Rh4 -","2","0.5","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","","1.54178","CuKα","","0.0482","0.0389","","","0.0802","0.0866","","","","","","1.065","","","","has coordinates,has disorder","256465","2020-10-21","18:00:00",""
"4060532","15.3775","0.0007","8.4994","0.0003","9.2423","0.0005","90","","90","","90","","1207.96","0.1","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C21 H31 F6 Ir N3 O2 P -","- C21 H31 F6 Ir N3 O2 P -","- C42 H62 F12 Ir2 N6 O4 P2 -","2","0.5","","Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma","Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)","Organometallics","2005","24","8","1799","1802","10.1021/om050073x","","","","","","","","","","","","","","","","","","","","","has coordinates","133900","2020-10-21","18:00:00",""
"4060977","15.917","0.002","30.197","0.004","7.3647","0.0006","90","","90","","90","","3539.7","0.7","297","2","297","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Cu F6 N2 P S2 -","- C10 H20 Cu F6 N2 P S2 -","- C80 H160 Cu8 F48 N16 P8 S16 -","8","2","","Conry ,Rebecca R.; Tipton, A. Alex; Striejewske, William S.; Erkizia, Edurne; Malwitz, Mark A.; Caffaratti, Angela; Natkin, Jonathan A.","Copper Complexes with N-Alkylated NS~2~-Macrocyclic Ligands: Synthesis, Characterization, and Capabilities as Aziridination Precatalysts","Organometallics","2004","23","22","5210","5218","10.1021/om040098g","","","","","","","0.0555","","","0.1352","","","","","","","","","","","has coordinates","133737","2020-10-21","18:00:00",""
"4061087","13.432","0.003","10.439","0.002","11.186","0.002","90","","90","","90","","1568.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32 H58 Li2 N4 -","- C32 H58 Li2 N4 -","- C64 H116 Li4 N8 -","2","0.5","","Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter","Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium","Organometallics","2004","23","23","5389","5391","10.1021/om0494871","","","","","","","","","","","","","","","","","","","","","has coordinates","209918","2020-10-21","18:00:00",""
"4061088","10.071","0.003","13.909","0.007","9.755","0.003","90","","90","","90","","1366.5","0.9","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H50 Li2 N4 -","- C26 H50 Li2 N4 -","- C52 H100 Li4 N8 -","2","0.5","","Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter","Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium","Organometallics","2004","23","23","5389","5391","10.1021/om0494871","","","","","","","","","","","","","","","","","","","","","has coordinates","209918","2020-10-21","18:00:00",""
"4061578","10.3055","0.001","13.7375","0.0014","6.7946","0.0007","90","","90","","90","","961.92","0.17","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H32 Fe N2 -","- C22 H32 Fe N2 -","- C44 H64 Fe2 N4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om050367i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061709","13.776","0.002","21.201","0.002","10.7958","0.0018","90","","90","","90","","3153","0.8","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H60 Cl4 O4 P2 Ru2 -","- C72 H60 Cl4 O4 P2 Ru2 -","- C144 H120 Cl8 O8 P4 Ru4 -","2","0.5","","Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario","","Organometallics","2005","","","","","10.1021/om050568m","","","","","","","","","","","","","","","","","","","","","has coordinates","264242","2021-04-16","08:49:31",""
"4061980","14.7503","0.0009","17.5026","0.001","9.9932","0.0006","90","","90","","90","","2579.9","0.3","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42 H56 F6 O10 P2 S2 Sn2 -","- C40 H26 F6 O10 P2 S2 Sn2 -","- C80 H52 F12 O20 P4 S4 Sn4 -","2","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062120","17.337","0.004","17.05","0.009","6.905","0.008","90","","90","","90","","2041.1","2.6","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C17 H8 Cl Ir N2 O5 W -","- C17 H8 Cl Ir N2 O5 W -","- C68 H32 Cl4 Ir4 N8 O20 W4 -","4","1","","Pizzotti, Maddalena; Ugo, Renato; Dragonetti, Claudia; Annoni, Elisabetta; Demartin, Francesco; Mussini, Patrizia","Unexpected Formation of a Weak Metal-Metal Bond: Synthesis, Electronic Properties, and Second-Order NLO Responses of Push-Pull Late-Early Heteronuclear Bimetallic Complexes with W(CO)~3~(1,10-phenanthroline) Acting as a Donor Ligand","Organometallics","2003","22","20","4001","4011","10.1021/om030247f","","","","","","","0.0488","","","0.1203","","","","","","","","","","","has coordinates","192068","2020-10-21","18:00:00",""
"4062130","12.399","0.003","19.467","0.003","9.607","0.002","90","","90","","90","","2318.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H74 N6 Zr -","- C46 H74 N6 Zr -","- C92 H148 N12 Zr2 -","2","0.5","","Benetollo, Franco; Carta, Giovanni; Cavinato, Gianni; Crociani, Laura; Paolucci, Gino; Rossetto, Gilberto; Veronese, Francesco; Zanella, Pierino","New η^2^-formamidinyl Zr Complexes: Synthesis, Characterization and Catalytic activity","Organometallics","2003","22","20","3985","3990","10.1021/om030268+","","","","","","","","","","","","","","","","","","","","","has coordinates","192066","2020-10-21","18:00:00",""
"4062897","8.708","0.002","27.547","0.006","8.547","0.002","90","","90","","90","","2050.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H29 N Zr -","- C25 H29 N Zr -","- C100 H116 N4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049745u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063146","14.872","0.0001","23.0986","0.0002","7.9391","0.0001","90","","90","","90","","2727.26","0.05","297","2","297","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H31 Fe2 O2 S2 -","- C31 H31 Fe2 O2 S2 -","- C124 H124 Fe8 O8 S8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049924b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4064497","13.619","0.003","10.35","0.003","13.132","0.003","90","","90","","90","","1851","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H36 Br2 N8 O4 Ru2 -","- C36 H36 Br2 N8 O4 Ru2 -","- C72 H72 Br4 N16 O8 Ru4 -","2","0.5","","Saha, Biswajit; Ghatak, Tapas; Sinha, Arup; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Site-Directed Anchoring of an N-Heterocyclic Carbene on a Dimetal Platform: Evaluation of a Pair of Diruthenium(I) Catalysts for Carbene-Transfer Reactions from Ethyl Diazoacetate","Organometallics","2011","30","7","2051","","10.1021/om200142p","","","0.71073","MoKα","","0.0741","0.0563","","","0.1462","0.1615","","","","","","1.067","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064774","15.9876","0.0003","19.9233","0.0003","11.3939","0.0002","90","","90","","90","","3629.25","0.11","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C32.5 H41 Cl5 N2 O Ru S -","- C32.5 H41 Cl5 N2 O Ru S -","- C130 H164 Cl20 N8 O4 Ru4 S4 -","4","1","","Ginzburg, Yakov; Anaby, Aviel; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Widening the Latency Gap in Chelated Ruthenium Olefin Metathesis Catalysts","Organometallics","2011","30","12","3430","","10.1021/om200323c","","","0.71073","MoKα","","0.0518","0.0405","","","0.0971","0.1031","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065202","16.041","0.003","33.811","0.005","9.857","0.0016","90","","90","","90","","5346.1","1.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C54 H55 Cl3 Fe2 P3 Re -","- C54 H55 Cl3 Fe2 P3 Re -","- C216 H220 Cl12 Fe8 P12 Re4 -","4","1","","Mejía, Esteban; Togni, Antonio","Rhenium Complexes Containing the Chiral Tridentate Ferrocenyl Ligand Pigiphos","Organometallics","2011","30","17","4765","","10.1021/om200621y","","","0.71073","MoKα","","0.0733","0.0614","","","0.1211","0.1252","","","","","","1.123","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065301","16.241","0.005","20.146","0.006","10.578","0.003","90","","90","","90","","3461","1.8","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C33 H53 Cl2 N3 Pd -","- C33 H53 Cl2 N3 Pd -","- C132 H212 Cl8 N12 Pd4 -","4","1","","Chen, Ming-Tsz; Vicic, David A.; Turner, Michael L.; Navarro, Oscar","(N-Heterocyclic Carbene)PdCl2(TEA) Complexes: Studies on the Effect of the “Throw-Away” Ligand in Catalytic Activity","Organometallics","2011","30","18","5052","","10.1021/om200699p","","","0.71075","MoKα","","0.0591","0.0469","","","0.1093","0.1168","","","","","","1.053","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4066014","13.686","0.003","24.927","0.005","10.4443","0.0019","90","","90","","90","","3563.1","1.2","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C80 H60 Cu I N2 O6 P2 -","- C80 H60 Cu I N2 O6 P2 -","- C160 H120 Cu2 I2 N4 O12 P4 -","2","0.5","","Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano","Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)","Organometallics","2010","29","11","2503","","10.1021/om100248u","","","0.7107","MoKα","","0.145","0.068","","","0.1539","0.1915","","","","","","1.077","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4067505","8.4832","0.0012","14.22","0.002","12.4919","0.0018","90","","90","","90","","1506.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C43 H28 Cl2 -","- C43 H28 Cl2 -","- C86 H56 Cl4 -","2","0.5","","Oulié, Pascal; Altes, Lena; Milosevic, Sandra; Bouteille, Romain; Müller-Bunz, Helge; McGlinchey, Michael J.","Different Reactivity Patterns of Trimethylsilyl- and Phenyl-Substituted Propargylallenes: Fe2(CO)9- and [Ag]±Promoted Cyclizations","Organometallics","2010","29","3","676","","10.1021/om9009872","","","0.71073","MoKα","","0.0512","0.0431","","","0.0886","0.0914","","","","","","1.066","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067918","19.1628","0.0015","19.6311","0.0018","4.4177","0.0005","90","","90","","90","","1661.9","0.3","180","2","180","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Au2 N8 Na2 O12 -","- C26 H36 Au2 N8 Na2 O12 -","- C52 H72 Au4 N16 Na4 O24 -","2","0.5","","Cure, Jérémy; Poteau, Romuald; Gerber, Iann C.; Gornitzka, Heinz; Hemmert, Catherine","Dimeric Gold Bis(carbene) Complexes by Transmetalation in Water","Organometallics","2012","31","2","619","","10.1021/om2009183","","","0.71073","MoKα","","0.0531","0.0369","","","0.0658","0.0699","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4068005","25.203","0.003","26.186","0.002","13.8835","0.0015","90","","90","","90","","9162.6","1.6","146","2","146","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C78 H125 N O17 Pd2 -","- C78 H120 N O17 Pd2 -","- C312 H480 N4 O68 Pd8 -","4","1","","Hashmi, A. Stephen K.; Grundl, Marc A.; Riedel, Dominic; Rudolph, Matthias; Bats, Jan W.","A Highly Diastereoselective Recognition Process as the Basis for the Resolution of Palladatricyclo[4.1.0.02,4]heptanes","Organometallics","2012","31","2","523","","10.1021/om2009952","","","0.71073","MoKα","","0.0659","0.0421","","","0.0786","0.0843","","","","","","1.079","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068745","14.5531","0.0004","46.4608","0.0013","12.5768","0.0003","90","","90","","90","","8503.8","0.4","294","2","294","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H68 N6 O2 P2 Zr -","- C60 H68 N6 O2 P2 Zr -","- C360 H408 N36 O12 P12 Zr6 -","6","1.5","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.047","0.0415","","","0.0909","0.0938","","","","","","1.107","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4069115","16.335","0.003","24.944","0.005","11.876","0.002","90","","90","","90","","4839","1.5","293","2","293","2","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C51 H38 Al2 Cl F72 Mo2 N2 Na O11 S4 -","- C51 H38 Al2 Cl F72 Mo2 N2 Na O11 S4 -","- C102 H76 Al4 Cl2 F144 Mo4 N4 Na2 O22 S8 -","2","0.5","","Downing, Stephen P.; Hanton, Martin J.; Slawin, Alexandra M. Z.; Tooze, Robert P.","Bis(alkylthioethyl)amine Complexes of Molybdenum","Organometallics","2009","28","8","2417","","10.1021/om9000346","","","0.71073","MoKα","","0.2614","0.1992","","","0.4709","0.5096","","","","","","1.524","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069741","15.5384","0.0005","25.2257","0.0009","8.5389","0.0003","90","","90","","90","","3347","0.2","200","2","200","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C51 H94 Cl2 F6 O2 P6 Ru2 S2 -","- C51 H94 Cl2 F6 O2 P6 Ru2 S2 -","- C102 H188 Cl4 F12 O4 P12 Ru4 S4 -","2","0.5","","Lin, Yan; Yuan, Jingjing; Hu, Ming; Cheng, Jie; Yin, Jun; Jin, Shan; Liu, Sheng Hua","Syntheses and Properties of Binuclear Ruthenium Vinyl Complexes with Dithienylethene Units as Multifunction Switches","Organometallics","2009","28","22","6402","","10.1021/om900396b","","","0.71073","MoKα","","0.054","0.0526","","","0.1312","0.1321","","","","","","1.202","","","","has coordinates,has disorder","178586","2020-10-21","18:00:00",""
"4070473","13.9886","0.0009","18.3767","0.0011","7.7039","0.0005","90","","90","","90","","1980.4","0.2","296","","296","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C28 H24 Au3 Cl8 F6 N4 O2 P -","- C28 H24 Au2.5 Cl7 F6 N4 O2 P0.5 -","- C56 H48 Au5 Cl14 F12 N8 O4 P -","2","0.5","","Cinellu, Maria A.; Maiore, Laura; Minghetti, Giovanni; Cocco, Fabio; Stoccoro, Sergio; Zucca, Antonio; Manassero, Mario; Manassero, Carlo","Gold(III) Adducts with Chiral Pyridinyl-Oxazolines. Synthesis, Reactivity of the Coordinated Ligands, and Structural Characterizations","Organometallics","2009","28","24","7015","","10.1021/om900841b","","","0.71073","Mo-Kα","","0.047","0.047","","","0.056","","","","1.009","1.009","1.009","","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070581","13.5476","0.001","14.3566","0.0011","8.4221","0.0006","90","","90","","90","","1638.1","0.2","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H48 Br2 N4 Rh2 -","- C31 H48 Br2 N4 Rh2 -","- C62 H96 Br4 N8 Rh4 -","2","0.5","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0193","0.0185","","","0.0469","0.0472","","","","","","1.04","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070773","14.3072","0.0016","23.352","0.003","12.2214","0.0014","90","","90","","90","","4083.2","0.8","298","2","298","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H24 Cl Ir N2 O2 -","- C17 H24 Cl Ir N2 O2 -","- C136 H192 Cl8 Ir8 N16 O16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0472","0.0409","","","0.1023","0.1086","","","","","","0.903","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4071002","15.3775","0.0007","8.4994","0.0003","9.2423","0.0005","90","","90","","90","","1207.96","0.1","150","2","150","2","","","","","","","synthesis","7","P 21 21 2","P 2 2ab","18","","","","- C21 H31 F6 Ir N3 O2 P -","- C21 H31 F6 Ir N3 O2 P -","- C42 H62 F12 Ir2 N6 O4 P2 -","2","0.5","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","1.5418","CuKα","","0.0608","0.0431","","","0.1139","0.1776","","","","","","1.305","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071103","17.0116","0.0001","23.8755","0.0002","9.9206","0.0001","90","","90","","90","","4029.36","0.06","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C46.4 H52.5 Br0.67 Cl0.33 N2 O3.35 Pd -","- C46.4 H52.5 Br0.67 Cl0.33 N2 O3.35 Pd -","- C185.6 H210 Br2.68 Cl1.32 N8 O13.4 Pd4 -","4","1","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0341","0.0295","","","0.075","0.0772","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071239","13.9217","0.0009","14.4359","0.0009","10.4167","0.0005","90","","90","","90","","2093.5","0.2","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H60 Ni O3 P2 -","- C44 H60 Ni O3 P2 -","- C88 H120 Ni2 O6 P4 -","2","0.5","","Ruhland, Klaus; Obenhuber, Andreas; Hoffmann, Stephan D.","Cleavage of Unstrained C(sp2)—C(sp2) Single Bonds with Ni0Complexes Using Chelating Assistance","Organometallics","2008","27","14","3482","","10.1021/om800054m","","","0.71073","MoKα","","0.0739","0.0695","","","0.1833","0.1924","","","","","","1.069","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071871","13.167","0.0009","5.8235","0.0004","13.0951","0.0008","90","","90","","90","","1004.11","0.12","110","2","110","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H19 Br N2 Ni O2 -","- C24 H19 Br N2 Ni O2 -","- C48 H38 Br2 N4 Ni2 O4 -","2","0.5","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54178","CuKα","","0.021","0.0196","","","0.0474","0.0478","","","","","","1.035","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071932","12.624","0.0011","35.226","0.0015","12.908","0.003","90","0.01","90","0.006","90","0.007","5740.1","1.4","150","1","150","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C54 H72 N6 O3 Sn3 -","- C54 H72 N6 O3 Sn3 -","- C216 H288 N24 O12 Sn12 -","4","1","","Padělková, Zdeňka; Nechaev, Mikhail S.; Černošek, Zdeněk; Brus, Jiří; Růžička, Aleš","Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes⊥","Organometallics","2008","27","20","5303","","10.1021/om800476r","","","0.71073","MoKα","","0.0709","0.0517","","","0.1078","0.1143","","","","","","1.129","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4072134","13.362","0.003","25.112","0.005","6.5155","0.0013","90","","90","","90","","2186.3","0.8","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C42 H54 Cl2 Zr -","- C42 H54 Cl2 Zr -","- C84 H108 Cl4 Zr2 -","2","0.5","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.0439","0.0341","","","0.0703","0.072","","","","","","0.928","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072820","17.472","0.001","25.208","0.002","16.684","0.001","90","","90","","90","","7348.2","0.8","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C79 H103 O10 P2 Rh -","- C73 H91 O8 P2 Rh -","- C292 H364 O32 P8 Rh4 -","4","1","","Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.","Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation","Organometallics","2007","26","12","2986","","10.1021/om061065z","","","0.71073","MoKα","","0.0662","0.0418","","","0.0913","0.096","","","","","","0.899","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4073215","12.8139","0.0002","17.8524","0.0004","8.619","0.0002","90","","90","","90","","1971.67","0.07","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H60 Cr3 F5 -","- C40 H60 Cr3 F5 -","- C80 H120 Cr6 F10 -","2","0.5","","Harvey, Benjamin G.; Arif, Atta M.; Glöckner, Andreas; Ernst, Richard D.","SF6as a Selective and Reactive Fluorinating Agent for Low-Valent Transition Metal Complexes#","Organometallics","2007","26","11","2872","","10.1021/om070175i","","","0.71073","MoKα","","0.0432","0.0361","","","0.085","0.0884","","","","","","1.111","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073668","18.851","0.004","7.919","0.0016","8.342","0.0017","90","","90","","90","","1245.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H39 N3 P2 Pt -","- C23 H39 N3 P2 Pt -","- C46 H78 N6 P4 Pt2 -","2","0.5","","Zenkina, Olena; Altman, Marc; Leitus, Gregory; Shimon, Linda J. W.; Cohen, Revital; van der Boom, Milko E.","From Azobenzene Coordination to Aryl−Halide Bond Activation by Platinum","Organometallics","2007","26","18","4528","","10.1021/om700519v","","","0.71073","MoKα","","0.0343","0.03","","","0.073","0.0749","","","","","","1.031","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073823","13.0287","0.0011","22.895","0.002","9.3671","0.0008","90","","90","","90","","2794.1","0.4","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H48 Cl N Os P2 -","- C23 H48 Cl N Os P2 -","- C92 H192 Cl4 N4 Os4 P8 -","4","1","","Kuznetsov, Vladimir F.; Gusev, Dmitry G.","Chiral Hydride and Dihydrogen Pincer-Type Complexes of Osmium","Organometallics","2007","26","23","5661","","10.1021/om700651g","","","0.71073","MoKα","","0.0335","0.0264","","","0.0481","0.0504","","","","","","1.126","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4074307","10.3998","0.0014","19.173","0.003","9.2415","0.0012","90","","90","","90","","1842.7","0.4","198","2","198","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H28 Li N3 O -","- C17 H28 Li N3 O -","- C68 H112 Li4 N12 O4 -","4","1","","Ong, Tiow-Gan; O'Brien, Julie S.; Korobkov, Ilia; Richeson, Darrin S.","Facile and Atom-Efficient Amidolithium-Catalyzed C‒C and C‒N Formation for the Construction of Substituted Guanidines and Propiolamidines","Organometallics","2006","25","20","4728","4730","10.1021/om060539r","","","0.71073","MoKα","","0.0736","0.0475","","","0.1006","0.1115","","","","","","1.03","","","","has coordinates","210319","2020-10-21","18:00:00",""
"4074389","13.719","0.005","18.172","0.006","8.247","0.003","90","","90","","90","","2056","1.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H42 N2 O4 Sm2 -","- C36 H42 N2 O4 Sm2 -","- C72 H84 N4 O8 Sm4 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0694","0.0514","","","0.1565","0.1733","","","","","","1.065","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074390","13.822","0.005","18.293","0.006","7.949","0.003","90","","90","","90","","2009.9","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H42 N2 O4 Yb2 -","- C36 H42 N2 O4 Yb2 -","- C72 H84 N4 O8 Yb4 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0727","0.0516","","","0.1347","0.1458","","","","","","1.066","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074979","15.7808","0.001","16.3514","0.0013","16.6649","0.0009","90","","90","","90","","4300.2","0.5","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Hexa-(mu-Chloro)-bi-(mu3-Chloro)- mu-hapto5-Pentamethylcyclopentadienyl- tetrakis(hapto5-pentamethylcyclopentadienyl) hexamagnesat- bis(hapto5-pentamethylcyclopentadienyl)aluminocenium","","- C76 H111 Al Cl8 Mg6 -","- C76 H111 Al Cl8 Mg6 -","- C152 H222 Al2 Cl16 Mg12 -","2","0.5","","Vollet, Jean; Hartig, Jens R.; Baranowska, Katarzyna; Schnöckel, Hansgeorg","The Anion [Mg6Cl8Cp*5]-: A Final Intermediate on the Way to the Molecular Donor-Free Grignard Compound MgClCp*?","Organometallics","2006","25","8","2101","","10.1021/om051074s","","","0.71073","MoKα","","0.0875","0.0457","","","0.1156","0.1356","","","","","","0.897","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4075005","14.416","0.003","17.067","0.003","9.793","0.002","90","","90","","90","","2409.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H23 N2 O5 Re -","- C25 H23 N2 O5 Re -","- C100 H92 N8 O20 Re4 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.0556","0.0517","","","0.1302","0.1364","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4076732","11.244","0.002","15.124","0.002","10.302","0.002","90","","90","","90","","1751.9","0.5","203","2","203","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H48 K2 N4 O2 Yb -","- C32 H48 K2 N4 O2 Yb -","- C64 H96 K4 N8 O4 Yb2 -","2","0.5","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.0567","0.0343","","","0.051","0.0531","","","","","","1.02","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4077113","12.1889","0.0004","13.311","0.0006","11.7458","0.0004","90","","90","","90","","1905.71","0.12","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H59 K2 N3 Si6 Zn -","- C23 H59 K2 N3 Si6 Zn -","- C46 H118 K4 N6 Si12 Zn2 -","2","0.5","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71073","MoKα","","0.0454","0.0425","","","0.096","0.0976","","","","","","1.154","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00",""
"4077725","20.8902","0.0015","34.532","0.002","7.5473","0.0006","90","","90","","90","","5444.5","0.7","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C62 H64 Cl2 N2 O2 Pt2 -","- C62 H64 Cl2 N2 O2 Pt2 -","- C248 H256 Cl8 N8 O8 Pt8 -","4","1","","Cave, Gareth W. V.; Fanizzi, Francesco P.; Deeth, Robert J.; Errington, William; Rourke, Jonathan P.","C−H Activation Induced by Water. Monocyclometalated to Dicyclometalated: C∧N∧C Tridentate Platinum Complexes","Organometallics","2000","19","7","1355","","10.1021/om9910423","","","0.71073","MoKα","","0.1432","0.0823","","","0.1714","0.2016","","","","","","1.004","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4078033","16.9778","0.0006","18.8108","0.0007","10.5559","0.0004","90","","90","","90","","3371.2","0.2","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C24 H38 Cl2 Cu F6 N7 O P2 -","- C24 H38 Cl2 Cu F6 N7 O P2 -","- C96 H152 Cl8 Cu4 F24 N28 O4 P8 -","4","1","","Tazelaar, Cornelis G. J.; Lyaskovskyy, Volodymyr; Dijk, Tom van; Broere, Daniël L. J.; Kolfschoten, Ludo A.; Khiar, Rima Osman Hassan; Lutz, Martin; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphine Oxides. Synthesis and Coordination Chemistry with Copper(I)","Organometallics","2012","31","8","3308","","10.1021/om300051f","","","0.71073","MoKα","","0.0337","0.0326","","","0.0925","0.0936","","","","","","1.023","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078754","22.5656","0.0019","22.671","0.002","7.5829","0.0007","90","","90","","90","","3879.3","0.6","90","0.1","90","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C45 H39 Cl2 Fe2 N2 O4 -","- C45 H39 Cl2 Fe2 N2 O4 -","- C180 H156 Cl8 Fe8 N8 O16 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0437","0.0355","","","0.0821","0.0856","","","","","","1.05","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078827","11.5958","0.0011","36.009","0.004","5.8328","0.0005","90","","90","","90","","2435.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H41 N2 O7.5 Si -","- C18 H41 N2 O7.5 Si -","- C72 H164 N8 O30 Si4 -","4","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0246","0.0239","","","0.0675","0.0679","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078934","12.1623","0.0016","46.074","0.006","11.9613","0.0016","90","","90","","90","","6702.7","1.5","110","2","110","2","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C66 H51 Br Cl4 F5 N3 O7 P2 Pt Re2 -","- C66 H51 Br Cl4 F5 N3 O7 P2 Pt Re2 -","- C264 H204 Br4 Cl16 F20 N12 O28 P8 Pt4 Re8 -","4","1","","Clough, Melissa C.; Zeits, Paul D.; Bhuvanesh, Nattamai; Gladysz, John A.","Toward Permetalated Alkyne/Azide 3 + 2 or “Click” Cycloadducts","Organometallics","2012","31","15","5231","","10.1021/om300542a","","","0.71073","MoKα","","0.029","0.0264","","","0.0668","0.0678","","","","","","1.043","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4079069","12.2088","0.0002","19.7299","0.0004","8.1404","0.0001","90","","90","","90","","1960.85","0.06","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H26 Fe O2 Si2 -","- C17 H26 Fe O2 Si2 -","- C68 H104 Fe4 O8 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0494","0.0423","","","0.0884","0.0947","","","","","","1.079","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079076","36.8117","0.0006","15.5129","0.0002","11.8778","0.0002","90","","90","","90","","6782.89","0.18","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C33 H44 Fe O2 Si3 -","- C33 H44 Fe O2 Si3 -","- C264 H352 Fe8 O16 Si24 -","8","2","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0803","0.0701","","","0.1616","0.1702","","","","","","1.116","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079816","61.674","0.004","12.8551","0.001","13.3812","0.0009","90","","90","","90","","10609","1.3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C46.88 H53.75 Cl1.75 F12 N6 Ni O2 P2 Pd -","- C46.875 H53.75 Cl1.75 F12 N6 Ni O2 P2 Pd -","- C375 H430 Cl14 F96 N48 Ni8 O16 P16 Pd8 -","8","2","","Mechler, Melanie; Latendorf, Katja; Frey, Wolfgang; Peters, René","Homo- and Heterobimetallic Pd‒, Ag‒, and Ni‒Hybrid Salen‒Bis-NHC Complexes","Organometallics","2013","32","1","112","","10.1021/om3008629","","","1.54178","CuKα","","0.0961","0.0932","","","0.2229","0.2253","","","","","","1.059","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4080334","21.2265","0.001","22.1966","0.0012","12.5639","0.0006","90","","90","","90","","5919.6","0.5","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C57 H33 Cl F26 Ir N O2 P3 Sb -","- C57 H27 Cl F26 Ir N O2 P3 Sb -","- C228 H108 Cl4 F104 Ir4 N4 O8 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0511","0.0441","","","0.0829","0.0852","","","","","","1.1","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080340","25.703","0.003","26.433","0.003","21.329","0.002","90","","90","","90","","14491","3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C139 H158 Cl2 F24 Ir2 N2 O4 P6 Sb4 -","- C120 H112 Cl2 F24 Ir2 N2 O4 P6 Sb4 -","- C480 H448 Cl8 F96 Ir8 N8 O16 P24 Sb16 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71073","MoKα","","0.1114","0.0861","","","0.2308","0.2468","","","","","","1.06","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080772","15.0023","0.0005","15.6987","0.0005","12.3254","0.0004","90","","90","","90","","2902.84","0.16","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C24 H30 F6 N2 O4 P2 Rh -","- C24 H30 F6 N2 O4 P2 Rh -","- C96 H120 F24 N8 O16 P8 Rh4 -","4","1","","You, Hongxing; Wang, Yongyong; Zhao, Xiaoli; Chen, Shengjie; Liu, Ye","Stable Ionic Rh(I,II,III) Complexes Ligated by an Imidazolium-Substituted Phosphine with π-Acceptor Character: Synthesis, Characterization, and Application to Hydroformylation","Organometallics","2013","32","9","2698","","10.1021/om400171t","","","0.71073","MoKα","","0.039","0.0325","","","0.0906","0.0978","","","","","","1.059","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080782","11.4977","0.0005","19.2962","0.0008","9.6181","0.0004","90","","90","","90","","2133.89","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H56 Fe N4 P2 -","- C50 H56 Fe N4 P2 -","- C100 H112 Fe2 N8 P4 -","2","0.5","","Arribas, Inmaculada; Álvarez, Eleuterio; Pizzano, Antonio","Novel Bis(1,3,2-diazaphospholidine) Ligands for Asymmetric Catalysis","Organometallics","2013","32","9","2497","","10.1021/om400185q","","","0.71073","MoKα","","0.0326","0.0287","","","0.0739","0.0751","","","","","","1.039","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4081388","13.6445","0.0005","24.8208","0.0007","8.2145","0.0003","90","","90","","90","","2781.98","0.16","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C21 H26.5 F6 N6.5 O3 P Ru -","- C21 H26.5 F6 N6.5 O3 P Ru -","- C84 H106 F24 N26 O12 P4 Ru4 -","4","1","","Kraack, Marianne; Harms, Klaus; Meggers, Eric","Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry","Organometallics","2013","32","18","5103","","10.1021/om4006627","","","0.71073","MoKα","","0.0297","0.0233","","","0.0473","0.048","","","","","","0.881","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081507","18.8177","0.0012","32.078","0.002","9.8829","0.0006","90","","90","","90","","5965.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C66.5 H64 Fe N4 O8 Pd2 S2 -","- C66.5 H64 Fe N4 O8 Pd2 S2 -","- C266 H256 Fe4 N16 O32 Pd8 S8 -","4","1","","Weber, Manuel; Klein, Johannes E. M. N.; Miehlich, Burkhard; Frey, Wolfgang; Peters, René","Monomeric Ferrocene Bis-Imidazoline Bis-Palladacycles: Variation of Pd‒Pd Distances by an Interplay of Metallophilic, Dispersive, and Coulombic Interactions","Organometallics","2013","32","20","5810","","10.1021/om400360d","","","0.71073","MoKα","","0.0425","0.0357","","","0.0715","0.0732","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082210","7.5726","0.0007","29.691","0.003","5.6935","0.0005","90","","90","","90","","1280.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C30 H18 F12 -","- C30 H18 F12 -","- C60 H36 F24 -","2","0.5","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0375","0.0341","","","0.0826","0.0848","","","","","","1.098","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082424","15.803","0.004","28.301","0.007","9.025","0.002","90","","90","","90","","4036.3","1.7","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H74 Co2 N2 O10 Pd3 -","- C76 H74 Co2 N2 O10 Pd3 -","- C152 H148 Co4 N4 O20 Pd6 -","2","0.5","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.0804","0.0659","","","0.1936","0.2021","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082472","18.5904","0.0002","20.7069","0.0002","8.7469","0.0001","90","","90","","90","","3367.12","0.06","160","1","160","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C38 H34 Cl2 O3 Pt S2 -","- C34 H26 Cl2 O2 Pt S2 -","- C136 H104 Cl8 O8 Pt4 S8 -","4","1","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0274","0.0259","","","0.0609","0.0615","","","","","","1.069","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082476","16.6646","0.0003","8.4729","0.0002","12.1747","0.0002","90","","90","","90","","1719.04","0.06","160","1","160","1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C35 H28 Cl2 I2 O2 Pt S2 -","- C35 H28 Cl2 I2 O2 Pt S2 -","- C70 H56 Cl4 I4 O4 Pt2 S4 -","2","0.5","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0424","0.0367","","","0.091","0.0944","","","","","","1.045","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082834","15.8109","0.0005","20.832","0.0007","11.5628","0.0005","90","","90","","90","","3808.5","0.2","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C75 H86 Cl10 Co2 N8 -","- C75 H86 Cl10 Co2 N8 -","- C150 H172 Cl20 Co4 N16 -","2","0.5","","Cho, Wonseok; Cho, Hyemin; Lee, Chun Sun; Lee, Bun Yeoul; Moon, Bongjin; Kang, Jahyo","Synthesis of New Bis(amidine)‒Cobalt Catalysts and Their Application to Styrene Polymerization","Organometallics","2014","33","7","1617","","10.1021/om401183d","","","0.71073","MoKα","","0.0894","0.0587","","","0.1136","0.1317","","","","","","1.039","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082964","10.5322","0.0011","27.861","0.002","6.5319","0.0006","90","","90","","90","","1916.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 2","P 2 2ab","18","","","","- C40 H46 Cl2 O8 Ti -","- C40 H46 Cl2 O8 Ti -","- C80 H92 Cl4 O16 Ti2 -","2","0.5","","Hodík, Tomáš; Lamač, Martin; Červenková Št’astná, Lucie; Karban, Jindřich; Koubková, Lucie; Hrstka, Roman; Císařová, Ivana; Pinkas, Jiří","Titanocene Dihalides and Ferrocenes Bearing a Pendant α-d-Xylofuranos-5-yl or α-d-Ribofuranos-5-yl Moiety. Synthesis, Characterization, and Cytotoxic Activity","Organometallics","2014","33","8","2059","","10.1021/om500200r","","","0.71073","MoKα","","0.031","0.0285","","","0.072","0.0733","","","","","","1.063","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083304","13.4987","0.0012","15.7269","0.0014","7.9422","0.0007","90","","90","","90","","1686.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H16 B10 S2 -","- C10 H16 B10 S2 -","- C40 H64 B40 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0397","0.0382","","","0.0975","0.0992","","","","","","1.041","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083968","15.0756","0.0007","48.534","0.002","9.6438","0.0004","90","","90","","90","","7056.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H69 Cl6 N9 O6 Yb2 -","- C51 H69 Cl6 N9 O6 Yb2 -","- C204 H276 Cl24 N36 O24 Yb8 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0651","0.0635","","","0.1839","0.1858","","","","","","1.117","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4084167","13.9438","0.0002","19.1854","0.0003","9.21828","0.0001","90","","90","","90","","2466.05","0.06","123","","123","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H31 N O5 -","- C28 H31 N O4.5 -","- C112 H124 N4 O18 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0417","","","","0.0478","","","","","","1.006","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084460","19.9832","0.0012","24.0188","0.0017","9.3809","0.0007","90","","90","","90","","4502.6","0.5","103","2","103","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H48 Cl3 O P3 Pt -","- C51 H48 Cl3 O P3 Pt -","- C204 H192 Cl12 O4 P12 Pt4 -","4","1","","Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes","Organometallics","2014","33","21","6053","","10.1021/om500662q","","","0.71073","","","0.0581","0.0458","","","0.0709","0.0746","","","","","","0.93","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4085249","15.4","0.002","9.7973","0.0011","7.6315","0.0011","90","","90","","90","","1151.4","0.3","150.02","0.11","150.02","0.11","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H42 K N Si2 -","- C18 H42 K N Si2 -","- C36 H84 K2 N2 Si4 -","2","0.5","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0917","0.0688","","","0.1762","0.1951","","","","","","1.057","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085342","17.316","0.0013","33.179","0.0012","16.012","0.004","90","0.007","90","0.009","90","0.005","9199","2","150","1","150","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C92 H155 N8 O2 Sn2 -","- C68 H124 N8 O2 Sn2 -","- C272 H496 N32 O8 Sn8 -","4","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.0886","0.0831","","","0.1983","0.2025","","","","","","1.141","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4086026","10.0085","0.0008","11.6612","0.001","13.1148","0.0011","90","","90","","90","","1530.6","0.2","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H33 N5 Pt -","- C28 H33 N5 Pt -","- C56 H66 N10 Pt2 -","2","0.5","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.033","0.0301","","","0.0689","0.0699","","","","","","1.136","","","","has coordinates","140040","2020-10-21","18:00:00",""
"4086027","10.0589","0.0002","11.5993","0.0003","13.1546","0.0003","90","","90","","90","","1534.83","0.06","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H33 N5 Pd -","- C28 H33 N5 Pd -","- C56 H66 N10 Pd2 -","2","0.5","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.0274","0.0248","","","0.0605","0.0617","","","","","","1.036","","","","has coordinates","140040","2020-10-21","18:00:00",""
"4086142","15.791","0.005","16.128","0.005","18.562","0.005","90","0.005","90","0.005","90","0.005","4727","2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","wdb_3_143","wdb_9b","","- C88 H148 N8 O11 P4 Pd4 -","- C88 H148 N8 O11 P4 Pd4 -","- C176 H296 N16 O22 P8 Pd8 -","2","0.5","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","","0.71073","MoKα","","0.1448","0.0637","","","0.1081","0.1328","","","","","","1.011","","","","has coordinates,has disorder","154741","2020-10-21","18:00:00",""
"4086275","11.5996","0.0006","13.1456","0.0007","10.9589","0.0005","90","","90","","90","","1671.05","0.15","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20 Fe0.5 Ni O2 P -","- C17 H20 Fe0.5 Ni O2 P -","- C68 H80 Fe2 Ni4 O8 P4 -","4","1","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.0351","0.0342","","","0.0898","0.0906","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086276","11.4622","0.0006","13.3606","0.0007","11.1153","0.0005","90","","90","","90","","1702.22","0.15","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20 Fe0.5 O2 P Pd -","- C17 H20 Fe0.5 O2 P Pd -","- C68 H80 Fe2 O8 P4 Pd4 -","4","1","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.015","0.0142","","","0.0352","0.0362","","","","","","1.172","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086963","19.615","0.003","27.998","0.004","11.7119","0.0017","90","","90","","90","","6432","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C70.5 H78 N6 Ni2 -","- C70.5 H75 N6 Ni2 -","- C282 H300 N24 Ni8 -","4","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.1628","0.0977","","","0.2272","0.2586","","","","","","1.057","","","","has coordinates,has disorder","193624","2020-10-21","18:00:00",""
"4087063","20.0491","0.0004","17.2073","0.0004","8.4156","0.0002","90","","90","","90","","2903.31","0.11","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C68 H68 Cl2 Ir2 N2 O5 -","- C68 H68 Cl2 Ir2 N2 O5 -","- C136 H136 Cl4 Ir4 N4 O10 -","2","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","0.71073","MoKα","","0.0323","0.0276","","","0.0543","0.0559","","","","","","1.003","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087783","12.998","0.0004","15.8415","0.0005","18.0179","0.0006","90","","90","","90","","3710","0.2","180","0.1","180","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C68 H104 Cl2 Cu10 N4 -","- C68 H104 Cl2 Cu10 N4 -","- C136 H208 Cl4 Cu20 N8 -","2","0.5","","Liu, Liang; Geng, Weizhi; Yang, Qi; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Butadienyl Organocopper(I) Aggregates from Zirconacyclopentadienes and CuCl: Synthesis and Structural Characterization","Organometallics","2015","34","17","4198","","10.1021/acs.organomet.5b00598","","","0.71073","MoKα","","0.0563","0.0411","","","0.0956","0.1042","","","","","","1.049","","","","has coordinates","237002","2020-10-21","18:00:00",""
"4088333","19.915","0.009","19.915","0.009","8.807","0.004","90","","90","","90","","3493","3","93","","93","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C28 H48 F6 Fe N8 P -","- C28 H48 F6 Fe N8 P -","- C112 H192 F24 Fe4 N32 P4 -","4","1","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","","0.0798","","","","0.2278","","","","","","1.012","","","","has coordinates","237471","2020-10-21","18:00:00",""
"4088552","43.3892","0.0003","16.38469","0.00011","12.67092","0.00009","90","","90","","90","","9007.99","0.11","150.01","0.1","150.01","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C96 H90.5 B F25.5 N4 O Ru -","- C90 H85.5 B F24.5 N4 O Ru -","- C360 H342 B4 F98 N16 O4 Ru4 -","4","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","x-ray","1.54184","CuKα","","0.0262","0.0254","","","0.0633","0.0638","","","","","","1.023","","","","has coordinates,has disorder","237662","2020-10-21","18:00:00",""
"4088884","12.7412","0.0005","24.4396","0.0015","9.3499","0.0004","90","","90","","90","","2911.5","0.2","110","","110","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C29 H43 Cl Li2 N2 O2 -","- C29 H43 Cl Li2 N2 O2 -","- C116 H172 Cl4 Li8 N8 O8 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.1488","0.1247","","","0.2987","0.3127","","","","","","1.082","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4089158","19.5484","0.0007","19.6029","0.0009","16.5867","0.0009","90","","90","","90","","6356.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Ru-4q","","- C34 H35 I N2 Ru S2 -","- C34 H35 I N2 Ru S2 -","- C272 H280 I8 N16 Ru8 S16 -","8","2","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","0.71073","MoKα","","0.0649","0.0526","","","0.1268","0.1344","","","","","","1.038","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089241","12.032","0.002","9.1089","0.0018","10.178","0.002","90","","90","","90","","1115.5","0.4","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H34 Li N3 -","- C22 H34 Li N3 -","- C44 H68 Li2 N6 -","2","0.5","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.0531","0.0389","","","0.0979","0.1035","","","","","","1.034","","","","has coordinates","238051","2020-10-21","18:00:00",""
"4089429","17.369","0.0004","31.8589","0.0008","10.7174","0.0001","90","","90","","90","","5930.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","none","N,N'-((1R, 2R)-cyclohexane-1,2-diyl)-bis(2-diphenylarsinobenzamide) acetonitrile solvate","","- C44.8 H41.2 As2 N2.4 O2 -","- C44.8 H41.2 As2 N2.4 O2 -","- C268.8 H247.2 As12 N14.4 O12 -","6","1.5","","Uberman, Paula M.; Caira, Mino R.; Mart\?ín, Sandra E.","A Chiral Bis(arsine) Ligand: Synthesis and Applications in Palladium-Catalyzed Asymmetric Allylic Alkylations","Organometallics","2013","32","11","3220","","10.1021/om400144s","","","0.71073","MoKα","","0.0675","0.0479","","","0.1083","0.1158","","","","","","1.063","","","","has coordinates","243640","2020-10-21","18:00:00",""
"4100246","12.24","0.003","21.081","0.005","6.1137","0.0014","90","","90","","90","","1577.6","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H22 N4 O4 -","- C12 H22 N4 O4 -","- C48 H88 N16 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100249","9.283","0.002","18.035","0.004","8.549","0.002","90","","90","","90","","1431.2","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H42 N8 O9 -","- C22 H42 N8 O9 -","- C44 H84 N16 O18 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100575","11.5886","0.0008","18.9715","0.0013","7.2785","0.0005","90","","90","","90","","1600.2","0.19","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101411","10.556","0.003","23.464","0.007","6.581","0.002","90","","90","","90","","1629.9","0.9","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0378","0.0355","","","0.0865","0.0881","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101881","10.4394","0.0012","8.2881","0.0009","9.7006","0.0011","90","","90","","90","","839.32","0.16","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 Ru -","- C20 H28 Ru -","- C40 H56 Ru2 -","2","0.5","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.022","0.0207","","","0.0465","0.0486","","","","","","1.088","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4102433","23.601","0.004","25.572","0.005","27.944","0.005","90","","90","","90","","16865","5","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C103 H210 N45.62 O63.86 Pt6 -","- C103 H146 N45.62 O63.86 Pt6 -","- C412 H584 N182.48 O255.44 Pt24 -","4","1","","Tomohisa Sawada; Makoto Fujita","A Single Watson-Crick G.C Base Pair in Water: Aqueous Hydrogen Bonds in Hydrophobic Cavities","Journal of the American Chemical Society","2010","132","","7194","7201","10.1021/ja101718c","","","0.71073","MoKα","","0.0748","0.0496","","","0.1293","0.1459","","","","","","1.075","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102575","22.632","0.003","38.947","0.005","13.0122","0.0016","90","","90","","90","","11470","3","143","2","143","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","SGS5-4","toste09","","- C70 H96 Au2 Cl2 O2 P2 -","- C70 H96 Au2 Cl2 O2 P2 -","- C420 H576 Au12 Cl12 O12 P12 -","6","1.5","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","0.71073","MoKα","","0.0415","0.0326","","","0.0827","0.0869","","","","","","1.05","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102846","24.534","0.006","9.96","0.003","12.424","0.003","90","","90","","90","","3035.9","1.4","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C38 H36 N2 O4 -","- C38 H36 N2 O4 -","- C152 H144 N8 O16 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0443","0.0364","","","0.0845","0.0886","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103029","27.528","0.005","12.447","0.002","13.383","0.002","90","","90","","90","","4585.6","1.3","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H45 N2 O4 P -","- C58 H45 N2 O4 P -","- C232 H180 N8 O16 P4 -","4","1","","Daisuke Uraguchi; Natsuko Kinoshita; Takashi Ooi","Catalytic Asymmetric Protonation of α-Amino Acid-Derived Ketene Disilyl Acetals Using P-Spiro Diaminodioxaphosphonium Barfates as Chiral Proton","Journal of the American Chemical Society","2010","132","","12240","12242","10.1021/ja105945z","","","0.71073","MoKα","","0.1117","0.0835","","","0.1446","0.1557","","","","","","1.113","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103173","11.3031","0.0014","21.144","0.003","25.31","0.003","90","","90","","90","","6048.9","1.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64.5 H99 K N4 Ni2 -","- C64.5 H99 K N4 Ni2 -","- C258 H396 K4 N16 Ni8 -","4","1","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.0859","0.0535","","","0.1206","0.1377","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103321","18.536","0.004","29.114","0.006","13.34","0.003","90","","90","","90","","7199","3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C81.5 H69 B3 Cl4.5 N2 O9 -","- C82 H69 B3 Cl5 N2 O9 -","- C328 H276 B12 Cl20 N8 O36 -","4","1","","Gang Hu; Anil K. Gupta; Rui H. Huang; Munmun Mukherjee; William D. Wulff","Substrate-Induced Covalent Assembly of a Chemzyme and Crystallographic Characterization of a Chemzyme-Substrate Complex","Journal of the American Chemical Society","2010","132","","14669","14675","10.1021/ja1070224","","","0.71073","MoKα","","0.1446","0.0922","","","0.2384","0.2508","","","","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103443","9.6889","0.0004","10.0184","0.0003","11.8966","0.0004","90","","90","","90","","1154.77","0.07","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Be2 Na5 O57 Si18 -","- Be2.64 Na5.272 O52.5 Si17.364 -","- Be2.64 Na5.272 O52.5 Si17.364 -","1","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0819","0.075","","","0.2103","0.2191","","","","","","1.091","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103745","17.084","0.0009","9.2508","0.0004","10.2983","0.0005","90","","90","","90","","1627.55","0.14","243","2","243","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H30 O3 -","- C17 H30 O3 -","- C68 H120 O12 -","4","1","","Kevin M. McQuaid; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Lewis Acid Catalyzed Alkylation Reactions by Direct Intramolecular Coupling of sp3 C-H Bonds and Reactive Alkenyl Oxocarbenium Intermediates","Journal of the American Chemical Society","2009","131","","402","403","10.1021/ja806068h","","","0.71073","MoKα","","0.0556","0.0407","","","0.1158","0.1279","","","","","","1.061","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103961","21.942","0.002","25.008","0.003","10.216","0.0011","90","","90","","90","","5605.8","1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C49 H74 Br Cl3 N8 O11 -","- C49 H74 Br Cl3 N8 O11 -","- C196 H296 Br4 Cl12 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0771","0.0705","","","0.2071","0.2144","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104160","17.5877","0.0002","21.7941","0.0002","5.7479","0.0001","90","","90","","90","","2203.22","0.05","291","2","291","2","","","","","","","synthesized","4","P 21 21 2","P 2 2ab","18","Azido tetraacetyl 2-deoxy-β-D-glucopyranose","","","- C18 H22 N4 O9 -","- C18 H22 N4 O9 -","- C72 H88 N16 O36 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0398","0.0324","","","0.0856","0.0899","","","","","","1.045","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104420","22.8055","0.0012","23.0389","0.0012","17.2256","0.0009","90","","90","","90","","9050.6","0.8","153","2","153","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H46 Ir N O9 P2 -","- C48 H36 Ir N O8 P2 -","- C384 H288 Ir8 N8 O64 P16 -","8","2","","Soo Bong Han; In Su Kim; Hoon Han; Michael J. Krische","Enantioselective Carbonyl Reverse Prenylation from the Alcohol or Aldehyde Oxidation Level Employing 1,1-Dimethylallene as the Prenyl Donor","Journal of the American Chemical Society","2009","131","","6916","6917","10.1021/ja902437k","","","0.71073","MoKα","","0.1042","0.0809","","","0.1462","0.1495","","","","","","1.769","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104708","21.123","0.003","11.8915","0.0017","14.321","0.002","90","","90","","90","","3597.2","0.9","173","2","173","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C68 H67 Br2 Cl2 D10 N2 O4.5 P2 Pd2 -","- C68 Br2 Cl2 D77 N2 O4.5 P2 Pd2 -","- C136 Br4 Cl4 D154 N4 O9 P4 Pd4 -","2","0.5","","Craig P. Butts; Emane Filali; Guy C. Lloyd-Jones; Per-Ola Norrby; David A. Sale; York Schramm","Structure-Based Rationale for Selectivity in the Asymmetric Allylic Alkylation of Cycloalkenyl Esters Employing the Trost 'Standard Ligand' (TSL): Isolation, Analysis and Alkylation of the Monomeric form of the Cationic η3-Cyclohexenyl Complex [(η3-c-C6H9)Pd(TSL)]+","Journal of the American Chemical Society","2009","131","","9945","9957","10.1021/ja8099757","","","0.71073","MoKα","","0.0242","0.0237","","","0.0636","0.0639","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104875","14.1478","0.0012","21.5812","0.0019","10.934","0.001","90","","90","","90","","3338.4","0.5","193","2","193","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H40 N2 O4 S Zn -","- C36 H40 N2 O4 S Zn -","- C144 H160 N8 O16 S4 Zn4 -","4","1","","Yunmi Lee; Bo Li; Amir H. Hoveyda","Stereogenic-at-Metal Zn- and Al-Based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations","Journal of the American Chemical Society","2009","131","","11625","11633","10.1021/ja904654j","","","0.71073","MoKα","","0.0952","0.0584","","","0.0996","0.1118","","","","","","1.001","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4105020","24.951","0.003","37.46","0.005","10.6579","0.0015","90","","90","","90","","9962","2","173.1","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C72 H60 Fe4 P2 S8 -","- C72 H60 Fe4 P2 S8 -","- C432 H360 Fe24 P12 S48 -","6","1.5","","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","","","0.0343","","","","0.0607","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106122","6.6817","0.0005","14.4877","0.0009","14.9056","0.001","90","","90","","90","","1442.9","0.17","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","1","","Dongwon Shin; Yitzhak Tor","Bifacial Nucleoside as a Surrogate for Both T and A in Duplex DNA","Journal of the American Chemical Society","2011","133","","6926","6929","10.1021/ja201397e","","","1.54184","CuKα","","0.0346","0.0336","","","0.0926","0.0934","","","","","","1.085","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106155","13.2979","0.001","32.381","0.002","7.3838","0.0006","90","","90","","90","","3179.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H43 N O8 -","- C31 H41 N O8 -","- C124 H164 N4 O32 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","1.54178","CuKα","","0.1067","0.0918","","","0.1943","0.2094","","","","","","1.151","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106276","7.6979","0.0009","31.65","0.004","7.1103","0.0008","90","","90","","90","","1732.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C68 H68 Br4 N8 O16 S4 -","4","1","","Ling Zhou; Jie Chen; Chong Kiat Tan; Ying-Yeung Yeung","Enantioselective Bromoaminocyclization Using Amino-Thiocarbamate Catalysts","Journal of the American Chemical Society","2011","133","","9164","9167","10.1021/ja201627h","","","0.71073","MoKα","","0.0431","0.0367","","","0.0807","0.083","","","","","","1.043","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106384","9.6087","0.0006","28.2031","0.0016","5.4415","0.0003","90","","90","","90","","1474.62","0.15","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Stepan Chuprakov; Jamal A. Malik; Mikhail Zibinsky; Valery V. Fokin","Catalytic Asymmetric C-H Insertions of Rhodium(II) Azavinyl Carbenes","Journal of the American Chemical Society","2011","133","","10352","10355","10.1021/ja202969z","","","1.54178","CuKα","","0.0288","0.0281","","","0.0776","0.0783","","","","","","0.999","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106427","41.6761","0.0019","7.7113","0.0003","10.0688","0.0005","90","","90","","90","","3235.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37.5 H28 Br Cl N4 O6 -","- C37.5 H28 Br Cl N4 O6 -","- C150 H112 Br4 Cl4 N16 O24 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","0.71073","MoKα","","0.0564","0.0476","","","0.0877","0.0899","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106552","47.974","0.004","9.6045","0.0009","11.7572","0.0012","90","","90","","90","","5417.3","0.9","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26.5 H26 Br Cl N2 O5 -","- C26.5 H26 Br Cl N2 O5 -","- C212 H208 Br8 Cl8 N16 O40 -","8","2","","Bin Tan; Gloria Hernández-Torres; Carlos F. Barbas","Highly Efficient Hydrogen-Bonding Catalysis of the Diels-Alder Reaction of 3-Vinylindoles and Methyleneindolinones Provides Carbazolespirooxindole Skeletons","Journal of the American Chemical Society","2011","133","","12354","12357","10.1021/ja203812h","","","1.54178","CuKα","","0.053","0.0515","","","0.1374","0.1384","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106692","18.0557","0.0004","19.4773","0.0005","12.7568","0.0003","90","","90","","90","","4486.26","0.19","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C53 H49 N2 O3.25 P Ru -","- C53 H49 N2 O3.25 P Ru -","- C212 H196 N8 O13 P4 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0331","0.0316","","","0.0969","0.0985","","","","","","1.083","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106852","13.0299","0.0013","18.2188","0.0018","12.7153","0.0011","90","","90","","90","","3018.5","0.5","123","","123","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C31.5 H34 Cl2 N2 O3 Ru S -","- C31.5 H34 Cl2 N2 O3 Ru S -","- C126 H136 Cl8 N8 O12 Ru4 S4 -","4","1","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0274","","","","0.0738","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106905","18.1342","0.0003","21.0565","0.0003","14.0388","0.0002","90","","90","","90","","5360.61","0.14","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C57 H78 N4 O4 Pt2 -","- C57 H78 N4 O4 Pt2 -","- C228 H312 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0306","","","","0.0618","","","","","","1.069","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107283","18.7099","0.0012","25.8448","0.0013","10.7596","0.0004","90","","90","","90","","5202.8","0.5","173","2","173","2","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C50.5 H55 B Cl F4 N O2 P3 Pt S -","- C50.5 H55 B Cl F4 N O2 P3 Pt S -","- C202 H220 B4 Cl4 F16 N4 O8 P12 Pt4 S4 -","4","1","","Jeremiah A. Feducia; Michel R. Gagné","Reversibility Effects on the Stereoselectivity of Pt(II)-Mediated Cascade Poly-ene Cyclizations","Journal of the American Chemical Society","2008","130","","592","599","10.1021/ja075518i","","","0.71073","MoKα","","0.0979","0.0706","","","0.1536","0.1683","","","","","","1.093","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107449","11.698","0.0002","13.7152","0.0003","8.2423","0.0002","90","","90","","90","","1322.4","0.05","160","1","160","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C34 H26 O2 S2 -","- C34 H26 O2 S2 -","- C68 H52 O4 S4 -","2","0.5","","Ronaldo Mariz; Xinjun Luan; Michele Gatti; Anthony Linden; Reto Dorta","A Chiral Bis-Sulfoxide Ligand in Late-Transition Metal Catalysis; Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to Electron-Deficient Olefins","Journal of the American Chemical Society","2008","130","","2172","2173","10.1021/ja710665q","","","0.71073","MoKα","","0.0617","0.0457","","","0.1032","0.1118","","","","","","1.075","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107760","15.521","0.003","26.412","0.005","6.9655","0.0014","90","","90","","90","","2855.4","1","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H72 Cl4 N8 O8 -","- C40 H72 Cl4 N8 O8 -","- C80 H144 Cl8 N16 O16 -","2","0.5","","Ignacio Alfonso; Michael Bolte; Miriam Bru; M. Isabel Burguete; Santiago V. Luis; Jenifer Rubio","Supramolecular Control for the Modular Synthesis of Pseudopeptidic Macrocycles through an Anion-Templated Reaction","Journal of the American Chemical Society","2008","130","","6137","6144","10.1021/ja710132c","","","0.71073","MoKα","","0.2118","0.1004","","","0.2571","0.316","","","","","","1.024","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107850","15.674","0.001","17.967","0.001","6.3228","0.0004","90","","90","","90","","1780.59","0.19","178.2","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H30 B N O3 S -","- C14 H30 B N O3 S -","- C56 H120 B4 N4 O12 S4 -","4","1","","Melissa A. Beenen; Chihui An; Jonathan A. Ellman","Asymmetric Copper-Catalyzed Synthesis of α-Amino Boronate Esters from N-tert-Butanesulfinyl Aldimines","Journal of the American Chemical Society","2008","130","","6910","6911","10.1021/ja800829y","","","0.7107","MoKα","","0.0525","0.0427","","0.0524","","0.0508","","","","","","2.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107870","18.0621","0.0008","31.9433","0.0013","14.5269","0.0006","90","","90","","90","","8381.5","0.6","143","1","143","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C195 H147 Eu2 Li6 N15 O12 -","- C180 H132 Eu2 Li6 N12 O12 -","- C360 H264 Eu4 Li12 N24 O24 -","2","0.5","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0555","0.0367","","","0.077","0.0822","","","","","","0.773","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107873","17.988","0.0006","31.6872","0.001","14.5672","0.0005","90","","90","","90","","8303.1","0.5","143","1","143","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C390 H294 Li12 N30 O24 Yb4 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0649","0.0519","","","0.1411","0.1524","","","","","","1.056","","","","has coordinates","270822","2021-11-23","08:35:46",""
"4107887","14.801","0.0007","19.3787","0.0009","7.3587","0.0003","90","","90","","90","","2110.65","0.16","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","LCC-Br-cyclo","","","- C23 H28 Br N O7 -","- C23 H28 Br N O7 -","- C92 H112 Br4 N4 O28 -","4","1","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","0.71073","MoKα","","0.0328","0.0299","","","0.0761","0.0775","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107929","22.321","0.002","10.7863","0.0011","12.3575","0.0013","90","","90","","90","","2975.2","0.5","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25.5 H48 N5 O6 -","- C25.5 H48 N5 O6 -","- C102 H192 N20 O24 -","4","1","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","Mo-Kα","","0.04","0.0361","","","0.0951","0.0998","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108568","11.219","0.01","16.968","0.015","6.392","0.006","90","","90","","90","","1216.8","1.9","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H18 B N O3 -","- C12 H18 B N O3 -","- C48 H72 B4 N4 O12 -","4","1","","Eric P. Gillis; Martin D. Burke","Multistep Synthesis of Complex Boronic Acids from Simple MIDA Boronates","Journal of the American Chemical Society","2008","130","","14084","14085","10.1021/ja8063759","","","0.71073","MoKα","","0.0602","0.037","","","0.0853","0.091","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108879","14.8257","0.0016","14.8278","0.0016","16.7187","0.0018","90","","90","","90","","3675.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","1","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.0755","0.0734","","","0.1622","0.1641","","","","","","1.163","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108880","15.114","0.003","15.101","0.003","16.842","0.003","90","","90","","90","","3844","1.3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","1","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.0985","0.0865","","","0.1712","0.1782","","","","","","1.151","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108881","14.8646","0.0018","14.9069","0.0018","16.747","0.002","90","","90","","90","","3710.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","1","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.1027","0.0777","","","0.17","0.1843","","","","","","1.145","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4109145","15.3554","0.0008","12.2744","0.0007","12.4945","0.0007","90","","90","","90","","2354.9","0.2","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H50 Cl4 N6 Ni2 O2 -","- C52 H50 Cl4 N6 Ni2 O2 -","- C104 H100 Cl8 N12 Ni4 O4 -","2","0.5","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0278","0.027","","","0.0712","0.0717","","","","","","1.065","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109422","10.1425","0.0006","12.0361","0.0008","14.1564","0.0009","90","","90","","90","","1728.16","0.19","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C24 H48 F6 O10 P2 Pd S2 -","- C24 H48 F6 O10 P2 Pd S2 -","- C48 H96 F12 O20 P4 Pd2 S4 -","2","0.5","","Joaquín López-Serrano; Simon B. Duckett; Stuart Aiken; Karina Q. Almeida Leñero; Eite Drent; John P. Dunne; Denis Konya; Adrian C. Whitwood","Apara-Hydrogen Investigation of Palladium-Catalyzed Alkyne Hydrogenation","Journal of the American Chemical Society","2007","129","","6513","6527","10.1021/ja070331c","","","0.71073","MoKα","","0.0288","0.0272","","","0.0651","0.0658","","","","","","1.056","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109691","10.2444","0.0014","32.499","0.004","6.9136","0.0007","90","","90","","90","","2301.8","0.5","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C84 H136 O16 S4 Si4 -","4","1","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.119","0.063","","","0.125","0.151","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109769","14.56","0.009","7.622","0.005","12.513","0.008","90","","90","","90","","1388.6","1.5","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C31 H40 O7 -","- C31 H40 O7 -","- C62 H80 O14 -","2","0.5","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.1277","0.0648","","","0.1705","0.2125","","","","","","1.007","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109935","15.946","0.006","27.927","0.011","9.417","0.004","90","","90","","90","","4194","3","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Br2 N2 Ni -","- C20 H26 Br2 N2 Ni -","- C160 H208 Br16 N16 Ni8 -","8","2","","David A. Evans; Shizue Mito; Daniel Seidel","Scope and Mechanism of Enantioselective Michael Additions of 1,3-Dicarbonyl Compounds to Nitroalkenes Catalyzed by Nickel(II)-Diamine Complexes","Journal of the American Chemical Society","2007","129","","11583","11592","10.1021/ja0735913","","","0.71073","MoKα","","0.0406","0.0309","","","0.0584","0.0615","","","","","","0.987","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110129","16.0139","0.0003","18.4185","0.0004","6.397","0.0001","90","","90","","90","","1886.81","0.06","296","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H30 Mg O8 -","- C16 H30 Mg O8 -","- C64 H120 Mg4 O32 -","4","1","","Jeffrey A. Rood; William C. Boggess; Bruce C. Noll; Kenneth W. Henderson","Assembly of a Homochiral, Body-Centered Cubic Network Composed of Vertex-Shared Mg12 Cages: Use of Electrospray Ionization Mass Spectrometry to Monitor Metal Carboxylate Nucleation","Journal of the American Chemical Society","2007","129","","13675","13682","10.1021/ja074558j","","","1.54178","CuKα","","0.0332","0.0301","","","0.0716","0.0721","","","","","","1.447","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110156","27.761","0.004","18.604","0.003","10.2474","0.0015","90","","90","","90","","5292.4","1.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C51 H78 N8 O11 -","- C51 H78 N8 O11 -","- C204 H312 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Crystallographic Characterization of the α/β-Peptide 14/15-Helix","Journal of the American Chemical Society","2007","129","","13780","13781","10.1021/ja0753344","","","0.71073","Mo-Kα","","0.0518","0.0487","","","0.1326","0.1366","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110710","23.22","0.005","8.3011","0.0017","11.212","0.002","90","","90","","90","","2161.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H22 Br N O6 S -","- C22 H22 Br N O6 S -","- C88 H88 Br4 N4 O24 S4 -","4","1","","Ming He; Justin R. Struble; Jeffrey W. Bode","Highly Enantioselective Azadiene Diels-Alder Reactions Catalyzed by Chiral N-Heterocyclic Carbenes","Journal of the American Chemical Society","2006","128","","8418","8420","10.1021/ja062707c","","","0.71073","MoKα","","0.2414","0.0816","","","0.1429","0.1781","","","","","","1.087","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4111747","9.641","0.002","14.903","0.003","9.119","0.0019","90","","90","","90","","1310.2","0.5","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0864","0.0827","","","0.1459","0.1471","","","","","","1.434","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111981","9.042","0.001","18.855","0.001","6.767","0.001","90","","90","","90","","1153.7","0.2","130","","130","","","","","","","","by syntheses","2","P 21 21 2","P 2 2ab","18","","","","- C32 H32 -","- C32 H32 -","- C64 H64 -","2","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0492","0.039","","","0.0932","0.1005","","","","","","1.038","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112805","38.6193","0.001","15.8553","0.0004","11.3176","0.0004","90","","90","","90","","6930","0.4","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","1","0.25","","Christine Schaffner-Hamann; Alexander von Zelewsky; Andrea Barbieri; Francesco Barigelletti; Gilles Muller; James P. Riehl; Antonia Neels","Diastereoselective Formation of Chiral Tris-Cyclometalated Iridium (III) Complexes: Characterization and Photophysical Properties","Journal of the American Chemical Society","2004","126","","9339","9348","10.1021/ja048655d","","","0.71073","MoKα","","0.0482","0.0449","","","0.1202","0.1229","","","","","","1.042","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4113497","29.38","0.01","7.473","0.008","10.371","0.007","90","","90","","90","","2277","3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H30 N2 O7 -","- C24 H30 N2 O7 -","- C96 H120 N8 O28 -","4","1","","Carina E. Cannizzaro; Jon A. Ashley; K. D. Janda; K. N. Houk","Experimental Determination of the Absolute Enantioselectivity of an Antibody-Catalyzed Diels-Alder Reaction and Theoretical Explorations of the Origins of Stereoselectivity","Journal of the American Chemical Society","2003","125","","2489","2506","10.1021/ja020879d","","","1.5418","CuKα","","0.0414","0.036","","","0.0958","0.1006","","","","","","1.034","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113511","18.4464","0.0009","20.6011","0.001","25.3976","0.0012","90","","90","","90","","9651.5","0.8","90","2","90","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Ar'4*Ga11","","","- C213 H200 Ga22 -","- C213 H200 Ga22 -","- C426 H400 Ga44 -","2","0.5","","Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power","Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding","Journal of the American Chemical Society","2003","125","","2667","2679","10.1021/ja028579j","","","0.71073","MoKα","","0.0802","0.0493","","","0.1124","0.1258","","","","","","1.03","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113533","33.465","0.001","11.6756","0.0004","12.9318","0.0007","90","","90","","90","","5052.8","0.4","103.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H51 N9 O27 Pr2 -","- C48 H34 N14 O42 Pr2 -","- C192 H136 N56 O168 Pr8 -","4","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.051","","","","0.0912","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113998","20.1825","0.0002","21.129","0.0005","10.016","0.0002","90","","90","","90","","4271.18","0.14","174.2","","174.2","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C45 H32 B F15 Hf Si -","- C49 H32 B F15 Hf Si -","- C196 H128 B4 F60 Hf4 Si4 -","4","1","","Aaron D. Sadow; T. Don Tilley","Cationic Hafnium Silyl Complexes and Their Enhanced Reactivity in σ-Bond Metathesis Processes with Si-H and C-H Bonds","Journal of the American Chemical Society","2003","125","","9462","9475","10.1021/ja030024g","","","0.7107","MoKα","","0.0886","0.035","","0.0441","0.032","0.032","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114129","53.2556","0.0018","66.114","0.002","27.398","0.0009","90","","90","","90","","96467","5","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C682.5 H1110.5 Ba4 Cl1.5 N190 O212 Si32 -","- C682.5 H1061.5 Ba4 Cl1.5 N190 O211.95 Si32 -","- C2730 H4246 Ba16 Cl6 N760 O847.8 Si128 -","4","1","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.1455","0.098","","","0.2552","0.2862","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114296","11.8162","0.001","14.1277","0.0011","10.3477","0.0008","90","","90","","90","","1727.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H25 Br Si Te -","- C12 H25 Br Si Te -","- C48 H100 Br4 Si4 Te4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.71073","MoKα","","0.0646","0.0392","","","0.0667","0.072","","","","","","0.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114889","14.7888","0.0007","18.5968","0.001","6.7764","0.0003","90","","90","","90","","1863.68","0.16","100","","100","","","","","","","","see paper","3","P 21 21 2","P 2 2ab","18","","","","- C18 H27 O6.5 -","- C18 H27 O6.5 -","- C72 H108 O26 -","4","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.1422","0.0777","","","0.1627","0.194","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115329","14.515","0.0002","26.071","0.0003","11.148","0.0007","90","","90","","90","","4218.6","0.3","130","2","130","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","Comple12","Comple12","","- C45 H33 As Br2 Cl3 N2 O3 Os0.5 S -","- C45 H33 As Br2 Cl3 N2 O3 Os0.5 S -","- C180 H132 As4 Br8 Cl12 N8 O12 Os2 S4 -","4","1","","Brenden Carlsen; Gregory D. Phelan; Werner Kaminsky; Larry R. Dalton; Xuezhong Jiang; Sen Liu; Alex K-Y. Jen","Divalent Osmium Complexes: Synthesis, Characterization, Strong Red Phosphorescence, and Electrophosphorescence","Journal of the American Chemical Society","2002","124","","14162","14172","10.1021/ja0176705","","","0.71073","MoKα","","0.0853","0.0554","","","0.1171","0.1276","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115340","18.86","0.08","18.55","0.03","6.244","0.009","90","","90","","90","","2184","10","293.1","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H16 F6 N2 O3 -","- C14 H15 F6 N2 O3 -","- C56 H60 F24 N8 O12 -","4","1","","Yasuhiro Ishida; Takuzo Aida","Homochiral Supramolecular Polymerization of an ""S""-Shaped Chiral Monomer: Translation of Optical Purity into Molecular Weight Distribution","Journal of the American Chemical Society","2002","124","","14017","14019","10.1021/ja028403h","","","0.7107","MoKα","","","0.136","","","","0.175","","","","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115763","15.7317","0.0008","15.5288","0.0008","15.6907","0.0008","90","","90","","90","","3833.2","0.3","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Cp*2ZrH2","","","- C20 H32 Zr -","- C20 H32 Zr -","- C160 H256 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0604","0.0391","","","0.0707","0.0767","","","","","","0.892","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115764","15.4715","0.0007","15.6123","0.0007","15.7459","0.0007","90","","90","","90","","3803.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Cp*2ZrHF","","","- C20 H30 F Zr -","- C20 H30 F Zr -","- C160 H240 F8 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0593","0.0491","","0.1231","0.1174","","","","1.004","1.032","1.032","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4116221","9.9851","0.0012","37.016","0.004","8.274","0.002","90","","90","","90","","3058.1","0.9","188","2","188","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H32 F3 N O10 -","- C31 H31 F3 N O10 -","- C124 H124 F12 N4 O40 -","4","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.2322","0.0787","","0.1869","0.1299","","","","1.034","1.261","1.261","","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116596","16.9921","0.0006","18.2387","0.0008","5.915","0.0003","90","","90","","90","","1833.14","0.14","213","2","213","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C80 H108 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1295","0.0553","","","0.1114","0.1287","","","","","","1.064","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116709","17.552","0.003","22.661","0.006","6.67","0.001","90","","90","","90","","2653","0.9","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S) methano-carba-AZT","","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C96 H120 N40 O24 -","8","2","","Victor E. Marquez; Abdallah Ezzitouni; Pamela Russ; Maqbool A. Siddiqui; Harry Ford; Ron J. Feldman; Hiroaki Mitsuya; Clifford George; Joseph J. Barchi","HIV-1 Reverse Transcriptase Can Discriminate between Two Conformationally Locked Carbocyclic AZT Triphosphate Analogues","Journal of the American Chemical Society","1998","120","","2780","2789","10.1021/ja973535+","","","1.54178","CuKα","","0.0829","0.0531","","0.1462","0.1253","","","","1.049","1.089","1.089","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116765","20.503","0.004","21.729","0.004","6.389","0.001","90","","90","","90","","2846.4","0.9","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","3-Methyl-3β,5α-3,3',4',5'-tetrahydrobenzo[2,3]cholest-2-en-1-one","","- C32 H52 O -","- C32 H52 O -","- C128 H208 O4 -","4","1","","Jadwiga Frelek; Wojciech J. Szczepek; Hans Peter Weiss; Guido J. Reiss; Walter Frank; Joachim Brechtel; Bernd Schultheis; Hans-Georg Kuball","Chiroptical Properties of the Cisoid Enone Chromophore","Journal of the American Chemical Society","1998","120","","7010","7019","10.1021/ja973076c","","","1.54184","CuKα","","0.1024","0.063","","0.0877","0.082","","","","1.334","1.626","1.626","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116972","16.377","0.002","29.029","0.002","8.932","0.002","90","","90","","90","","4246.3","1.1","297","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H31 I O3 Si -","- C19 H31 I O3 Si -","- C152 H248 I8 O24 Si8 -","8","2","","Chin-Kang Sha; Rei-Torng Chiu; Cheng-Fen Yang; Nai-Tung Yao; Wei-Hong Tseng; Fen-Ling Liao; Sue-Lein Wang","Total Synthesis of (-)-Dendrobine via α-Carbonyl Radical Cyclization","Journal of the American Chemical Society","1997","119","","4130","4135","10.1021/ja9643432","","","0.71073","MoKα","","","0.0448","","","0.0543","","","","","0.88","0.88","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4117089","20.687","0.001","13.872","0.001","12.332","0.001","90","","90","","90","","3538.9","0.4","130","2","130","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Zn(T-m-NPCP)(EtOH).1.02CH2Cl2","","- C71.03 H58.06 Cl2.05 N8 O17 Zn -","- C71.024 H56 Cl2.048 N8 O17 Zn -","- C142.048 H112 Cl4.096 N16 O34 Zn2 -","2","0.5","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0792","0.0669","","0.2004","0.1866","","","","1.073","1.082","1.082","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117587","30.495","0.002","12.5164","0.0009","13.3325","0.0012","90","","90","","90","","5088.9","0.7","153","2","153","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C47 H50 F6 Fe N6.5 O9.5 S2 -","- C45 H42 F6 Fe N6.5 O9 S2 -","- C180 H168 F24 Fe4 N26 O36 S8 -","4","1","","Justin M. Dragna; Gennaro Pescitelli; Lee Tran; Vincent M. Lynch; Eric V. Anslyn; Lorenzo Di Bari","In Situ Assembly of Octahedral Fe(II) Complexes for the Enantiomeric Excess Determination of Chiral Amines Using Circular Dichroism Spectroscopy","Journal of the American Chemical Society","2012","134","","4398","4407","10.1021/ja211768v","","","0.71069","MoKα","","0.1689","0.0948","","","0.157","0.1752","","","","","","1.373","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117634","16.03","0.003","18.438","0.004","8.0032","0.0016","90","","90","","90","","2365.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H28 N O2 P -","- C29 H28 N O2 P -","- C116 H112 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0579","0.049","","","0.1119","0.1159","","","","","","1.066","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4118073","16.67","0.003","24.497","0.004","9.2897","0.0014","90","","90","","90","","3793.6","1.1","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Me3NN]Ni-N(CHMePh)Ad.1/2ether","","","- C43 H58 N3 Ni O0.5 -","- C43 H58 N3 Ni O0.5 -","- C172 H232 N12 Ni4 O2 -","4","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.0869","0.057","","","0.1453","0.161","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118178","7.9626","0.0003","36.6534","0.0011","5.6635","0.0002","90","","90","","90","","1652.93","0.1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C64 H76 Br4 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0401","0.0368","","","0.0913","0.0926","","","","","","1.089","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118238","26.5692","0.0008","18.3016","0.0006","20.3207","0.0005","90","","90","","90","","9881.1","0.5","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C170 H186 F2 N32 O24 -","- C170 H186 F2 N32 O24 -","- C340 H372 F4 N64 O48 -","2","0.5","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CUKα","","0.0945","0.0658","","","0.1792","0.1951","","","","","","0.966","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118490","12.0602","0.0011","18.0394","0.0017","7.8387","0.0007","90","","90","","90","","1705.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","YMW-VI-122","toste61","","- C21 H20 Br N O -","- C21 H20 Br N O -","- C84 H80 Br4 N4 O4 -","4","1","","Yi-Ming Wang; Jeffrey Wu; Christina Hoong; Vivek Rauniyar; F. Dean Toste","Enantioselective Halocyclization Using Reagents Tailored for Chiral Anion Phase-Transfer Catalysis","Journal of the American Chemical Society","2012","134","","12928","12931","10.1021/ja305795x","","","0.71073","MoKα","","0.0241","0.0218","","","0.0473","0.0482","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118607","15.406","0.003","28.983","0.005","4.5886","0.0009","90","","90","","90","","2048.9","0.7","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(2R,4aR,5aR,9aS,10S,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.1072","0.0741","","","0.1442","0.1735","","","","","","0.999","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4119372","19.0012","0.0006","11.2967","0.0004","13.7427","0.0005","90","","90","","90","","2949.88","0.18","100","2","100.01","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52.8 H51.2 F12 N4 O0.8 P2 -","- C52.8 H51.2 F12 N4 O0.8 P2 -","- C105.6 H102.4 F24 N8 O1.6 P4 -","2","0.5","","Gokhan Barin; Marco Frasconi; Scott M. Dyar; Julien Iehl; Onur Buyukcakir; Amy A. Sarjeant; Raanan Carmieli; Ali Coskun; Michael R. Wasielewski; J. Fraser Stoddart","Redox-Controlled Selective Docking in a [2]Catenane Host","Journal of the American Chemical Society","2013","135","","2466","2469","10.1021/ja3125004","","","1.54184","CUKα","","0.0775","0.053","","","0.1193","0.1272","","","","","","0.899","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119591","19.0707","0.0012","23.7279","0.0015","12.445","0.0013","90","","90","","90","","5631.5","0.8","123","2","123","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C60 H92 P2 -","- C60 H92 P2 -","- C240 H368 P8 -","4","1","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.062","0.0555","","","0.1181","0.1191","","","","","","1.07","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119827","13.678","0.003","20.782","0.006","6.334","0.009","90","","90","","90","","1800","3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H22 Br N O4 S -","- C16 H22 Br N O4 S -","- C64 H88 Br4 N4 O16 S4 -","4","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0654","0.0541","","","0.1078","0.1136","","","","","","1.177","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119879","12.7403","0.0005","25.8323","0.001","12.1352","0.0005","90","","90","","90","","3993.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C176 H152 Br8 N16 O24 -","8","2","","Jeremy M. John; Satoshi Takebayashi; Nupur Dabral; Mark Miskolzie; Steven H. Bergens","Base-Catalyzed Bifunctional Addition to Amides and Imides at Low Temperature. A New Pathway for Carbonyl Hydrogenation","Journal of the American Chemical Society","2013","135","","8578","8584","10.1021/ja401294q","","","0.71073","MoKα","","0.0423","0.0354","","","0.0887","0.0921","","","","","","1.028","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4121628","12.3208","0.001","35","0.003","10.4586","0.0008","90","","90","","90","","4510","0.6","103","2","103","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C48.5 H48 Cl4 N O2 P Pd -","- C48.5 H48 Cl4 N O2 P Pd -","- C194 H192 Cl16 N4 O8 P4 Pd4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0724","0.0597","","","0.1646","0.1782","","","","","","1.12","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121922","9.6486","0.0016","12.613","0.002","9.6355","0.0016","90","","90","","90","","1172.6","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H44 Mo P4 Si2 -","- C12 H44 Mo P4 Si2 -","- C24 H88 Mo2 P8 Si4 -","2","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.042","0.0384","","","0.0862","0.088","","","","","","1.091","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121980","10.9054","0.0003","17.4588","0.0004","6.6865","0.0002","90","","90","","90","","1273.08","0.06","100","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N O3.5 -","- C15 H15 N O3.5 -","- C60 H60 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0342","0.0327","","","0.0894","0.0908","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121981","10.9133","0.0002","17.456","0.0004","6.6856","0.0001","90","","90","","90","","1273.62","0.04","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H16 N O3.5 -","- C15 H16 N O3.5 -","- C60 H64 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0343","0.0337","","","0.0969","0.0975","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122283","11.5344","0.0007","26.0993","0.0015","23.8255","0.0015","90","","90","","90","","7172.4","0.8","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C141 H84 Cl16 N16 O8 -","- C141 H84 Cl16 N16 O8 -","- C282 H168 Cl32 N32 O16 -","2","0.5","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.1162","0.1147","","","0.2904","0.2913","","","","","","1.083","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122315","21.163","0.0005","8.5919","0.0002","10.0756","0.0003","90","","90","","90","","1832.05","0.08","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H41 Fe N3 O2 -","- C41 H41 Fe N3 O2 -","- C82 H82 Fe2 N6 O4 -","2","0.5","","Chiang, Chien-Wei; Kleespies, Scott T.; Stout, Heather D.; Meier, Katlyn K.; Li, Po-Yi; Bominaar, Emile L.; Que, Jr, Lawrence; Münck, Eckard; Lee, Way-Zen","Characterization of a paramagnetic mononuclear nonheme iron-superoxo complex.","Journal of the American Chemical Society","2014","136","31","10846","10849","10.1021/ja504410s","","","0.71073","MoKα","","0.046","0.0444","","","0.1418","0.1434","","","","","","0.991","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122609","16.4633","0.0007","53.391","0.002","16.162","0.0008","90","","90","","90","","14206.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H65 B Fe N7 P -","- C51 H65 B Fe N7 P -","- C612 H780 B12 Fe12 N84 P12 -","12","3","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0933","0.0645","","","0.1464","0.185","","","","","","1.024","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4123525","23.5194","0.0008","24.5275","0.0008","18.4585","0.0007","90","","90","","90","","10648.2","0.6","100","2","100.05","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H160 La Mo12 O129 P -","- C96 H160 La Mo12 O129 P0.5 -","- C192 H320 La2 Mo24 O258 P -","2","0.5","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","1.54178","CuKα","","0.0891","0.086","","","0.2331","0.2374","","","","","","1.019","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123633","17.3461","0.0002","13.787","0.0002","7.60339","0.00011","90","","90","","90","","1818.36","0.04","140","2","140","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0355","0.0347","","","0.0963","0.0977","","","","","","1.052","","","","has coordinates,has disorder","138223","2020-10-21","18:00:00",""
"4124267","18.7358","0.0007","28.704","0.0011","9.5921","0.0004","90","","90","","90","","5158.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H24 N5 O5.5 Ru -","- C28 H24 N5 O5.5 Ru -","- C224 H192 N40 O44 Ru8 -","8","2","","Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, Jordi; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni","Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex.","Journal of the American Chemical Society","2015","","","150812101708002","","10.1021/jacs.5b06541","","","0.71073","MoKα","","0.0439","0.0384","","","0.088","0.091","","","","","","1.03","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124409","31.0988","0.0012","9.8634","0.0003","7.9792","0.0002","90","","90","","90","","2447.54","0.13","180","2","180","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H41 O3.5 -","- C28 H41 O3.5 -","- C112 H164 O14 -","4","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0663","0.0523","","","0.1318","0.1395","","","","","","1.121","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124824","10.259","0.002","22.885","0.005","6.9775","0.0014","90","","90","","90","","1638.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.1488","0.1174","","","0.2653","0.2818","","","","","","1.225","","","","has coordinates","173458","2020-10-21","18:00:00",""
"4124887","21.8742","0.0004","23.4736","0.0005","9.0278","0.0002","90","","90","","90","","4635.47","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H65 N9 O9 Si -","- C35 H65 N9 O9 Si -","- C140 H260 N36 O36 Si4 -","4","1","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0424","0.0399","","","0.1082","0.1103","","","","","","1.024","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4125218","23.7683","0.0016","14.1475","0.0009","16.2856","0.0011","90","","90","","90","","5476.2","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H122 Au Br4 Na O61 -","- C72 H122 Au Br4 Na O61 -","- C144 H244 Au2 Br8 Na2 O122 -","2","0.5","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0553","0.0548","","","0.1535","0.1542","","","","","","1.073","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125852","18.9571","0.001","11.286","0.0006","13.8878","0.0008","90","","90","","90","","2971.3","0.3","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H68 F12 N4 O2 P2 -","- C60 H68 F12 N4 O2 P2 -","- C120 H136 F24 N8 O4 P4 -","2","0.5","","Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser","Size-Matched Radical Multivalency.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b09892","","","1.54178","CuKα","","0.0873","0.0842","","","0.2506","0.2538","","","","","","1.099","","","","has coordinates","194101","2020-10-21","18:00:00",""
"4125983","13.7749","0.0014","21.091","0.002","7.3456","0.0007","90","","90","","90","","2134.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","1.54178","CuKα","","0.0789","0.0521","","","0.1197","0.1359","","","","","","1.043","","","","has coordinates,has disorder","197441","2020-10-21","18:00:00",""
"4126153","22.12","0.0017","22.8814","0.0016","9.7523","0.0007","90","","90","","90","","4936","0.6","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","compound4","compound4","","- C57 H63 O P2 Rh S Si -","- C57 H63 O P2 Rh S Si -","- C228 H252 O4 P8 Rh4 S4 Si4 -","4","1","","Lee, Taegyo; Hartwig, John F.","Mechanistic Studies on Rhodium-Catalyzed Enantioselective Silylation of Aryl C-H Bonds.","Journal of the American Chemical Society","2017","139","13","4879","4886","10.1021/jacs.7b00737","","","0.71073","MoKα","","0.0224","0.0207","","","0.0457","0.0466","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126445","14.316","0.002","17.322","0.003","8.0019","0.0013","90","","90","","90","","1984.3","0.5","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Liu, Qi; Deng, Yifan; Smith, 3rd, Amos B","Total Synthesis of (-)-Nahuoic Acid Ci (Bii).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08683","","","1.54178","CuKα","","0.0267","0.0256","","","0.0644","0.0651","","","","","","1.043","","","","has coordinates","201178","2020-10-21","18:00:00",""
"4126474","18.7656","0.0013","41.726","0.003","14.4668","0.001","90","","90","","90","","11327.7","1.4","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","N,N'-((11bS,11b'S)-azanediylbis(2,6-bis(3,5-bis(pentafluoro- 1^6^-sulfanyl)phenyl)-41^5^-dinaphtho[2,1-d:1',2'- f][1,3,2]dioxaphosphepine-4-yl-4-ylidene))bis(1,1,1- trifluoromethanesulfonamide) dichloromethane hexane solute","","- C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10 -","- C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10 -","- C332.8 H132 Cl15.2 F179.2 N12 O28.8 P8 S40 -","4","1","","Liu, Luping; Kim, Hyejin; Xie, Youwei; Farès, Christophe; Kaib, Philip S. J.; Goddard, Richard; List, Benjamin","Catalytic Asymmetric [4+2]-Cycloaddition of Dienes with Aldehydes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08357","","","1.54178","Cu-Kα","","0.0785","0.0674","","","0.1847","0.192","","","","","","1.513","","","","has coordinates,has disorder","201272","2020-10-21","18:00:00",""
"4126663","15.2695","0.00018","19.6342","0.0002","12.6839","0.00014","90","","90","","90","","3802.69","0.07","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C152 H224 O40 -","8","2","","Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki","Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10177","","","1.54184","CuKα","","0.0396","0.0367","","","0.0941","0.098","","","","","","1.056","","","","has coordinates","202483","2020-10-21","18:00:00",""
"4126867","10.912","0.0005","42.1096","0.0019","10.0118","0.0004","90","","90","","90","","4600.4","0.3","315","5","315","5","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","1","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0524","0.047","","","0.1281","0.1322","","","","","","1.107","","","","has coordinates","204361","2020-10-21","18:00:00",""
"4126868","13.0612","0.0005","13.1299","0.0005","11.4816","0.0005","90","","90","","90","","1969.01","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H35 N O4 S -","- C18 H36.5 N O4 S -","- C72 H146 N4 O16 S4 -","4","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","Synchrotron","","0.1135","0.0705","","","0.1733","0.2248","","","","","","1.146","","","","has coordinates,has disorder","204362","2020-10-21","18:00:00",""
"4126869","13.3219","0.0008","13.3283","0.0008","11.5783","0.0008","90","","90","","90","","2055.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H35 N O4 S -","- C18 H35 N O4 S -","- C72 H140 N4 O16 S4 -","4","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","Synchrotron","","0.1432","0.0955","","","0.2392","0.2898","","","","","","2.017","","","","has coordinates,has disorder","204363","2020-10-21","18:00:00",""
"4126920","27.9638","0.0008","31.2596","0.0011","13.6054","0.0004","90","","90","","90","","11893","0.6","173","","173","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 Cl20 Cs3 N6 O66 Ti12 -","- C30 Cl17.5 Cs3 N6 O57.5 Ti12 -","- C120 Cl70 Cs12 N24 O230 Ti48 -","4","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0791","0.0602","","","0.1592","0.1751","","","","","","1.049","","","","has coordinates","204532","2020-10-21","18:00:00",""
"4127427","19.2243","0.0006","8.7543","0.0003","9.7102","0.0003","90","","90","","90","","1634.18","0.09","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H12 Br Cl2 N O -","- C18 H12 Br Cl2 N O -","- C72 H48 Br4 Cl8 N4 O4 -","4","1","","Cai, Lingchao; Zhang, Kui; Chen, Shuming; Lepage, Romain J.; Houk, K. N.; Krenske, Elizabeth H.; Kwon, Ohyun","Catalytic Asymmetric Staudinger-aza-Wittig Reaction for the Synthesis of Heterocyclic Amines.","Journal of the American Chemical Society","2019","141","24","9537","9542","10.1021/jacs.9b04803","","","1.54178","CuKα","","0.0175","0.0173","","","0.04","0.0401","","","","","","1.067","","","","has coordinates","220700","2020-10-21","18:00:00",""
"4127595","22.2486","0.001","7.9023","0.0004","12.0937","0.0006","90","","90","","90","","2126.26","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0634","0.0484","","","0.1174","0.1268","","","","","","0.992","","","","has coordinates","220807","2020-10-21","18:00:00",""
"4127736","19.097","0.0019","21.105","0.002","23.148","0.002","90","","90","","90","","9329.6","1.5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C145 H122 F24 N34 O40 S8 Zn4 -","- C145 H120 F24 N34 O40 S8 Zn4 -","- C290 H240 F48 N68 O80 S16 Zn8 -","2","0.5","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0718","0.0561","","","0.1529","0.162","","","","","","1.077","","","","has coordinates,has disorder","220914","2020-10-21","18:00:00",""
"4127768","27.6539","0.0018","31.523","0.002","9.6026","0.0006","90","","90","","90","","8370.9","0.9","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H142 K O10 Th -","- C84 H142 K O10 Th -","- C336 H568 K4 O40 Th4 -","4","1","","Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>2</sub>-2,6-Me-4)<sub>4</sub>]<sup>1</sup>.","Journal of the American Chemical Society","2019","141","32","12458","12463","10.1021/jacs.9b04399","","","0.71073","MoKα","","0.0454","0.0346","","","0.0698","0.0734","","","","","","1.058","","","","has coordinates,has disorder","220939","2020-10-21","18:00:00",""
"4128121","23.055","0.003","23.056","0.002","23.99","0.003","90","","90","","90","","12752","3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C320 H400 Cl52 Li12 N8 O80 P8 Pd8 S16 -","2","0.5","","Liu, Qian; Jordan, Richard F.","Sterically Controlled Self-Assembly of a Robust Multinuclear Palladium Catalyst for Ethylene Polymerization.","Journal of the American Chemical Society","2019","141","17","6827","6831","10.1021/jacs.9b02465","","","0.71073","MoKα","","0.0788","0.0563","","","0.1297","0.1371","","","","","","1.045","","","","has coordinates,has disorder","221251","2020-10-21","18:00:00",""
"4128181","17.11","0.003","20.318","0.003","7.9383","0.0013","90","","90","","90","","2759.7","0.8","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H29 F4 N3 O2 Ru S -","- C30 H29 F4 N3 O2 Ru S -","- C120 H116 F16 N12 O8 Ru4 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0639","0.0558","","","0.1014","0.106","","","","","","1.072","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128708","21.355","0.0001","12.8409","0.0001","11.1411","0.0001","90","","90","","90","","3055.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30.5 H36 Cl N5 O6 -","- C30.5 H36 Cl N5 O6 -","- C122 H144 Cl4 N20 O24 -","4","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0413","0.0404","","","0.1199","0.1209","","","","","","1.069","","","","has coordinates,has disorder","221783","2020-10-21","18:00:00",""
"4128813","52.6707","0.0006","18.785","0.0002","17.85193","0.00018","90","","90","","90","","17663","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C100 H120 B6 F24 N26 O6 Zn3 -","- C100 H120 B6 F24 N26 O6 Zn3 -","- C600 H720 B36 F144 N156 O36 Zn18 -","6","1.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.0767","0.0708","","","0.2005","0.207","","","","","","1.05","","","","has coordinates,has disorder","221878","2020-10-21","18:00:00",""
"4128814","51.9276","0.0007","18.8837","0.0002","18.2355","0.0002","90","","90","","90","","17881.5","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C251 H287 B18 F72 N54 O18 Zn9 -","- C251 H287 B18 F72 N54 O18 Zn9 -","- C502 H574 B36 F144 N108 O36 Zn18 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","","0.6889","synchrotron","","0.1384","0.1001","","","0.2847","0.3229","","","","","","1.094","","","","has coordinates,has disorder","221879","2020-10-21","18:00:00",""
"4129044","13.0031","0.0005","13.3258","0.0005","14.169","0.0006","90","","90","","90","","2455.16","0.17","300","2","300","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H40 N2 Ni -","- C24 H40 N2 Ni -","- C96 H160 N8 Ni4 -","4","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0505","0.0432","","","0.1081","0.1161","","","","","","1.148","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129372","16.4144","0.0011","23.4402","0.0015","5.9992","0.0004","90","","90","","90","","2308.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H16.5 Br Cl O1.25 -","- C10 H16.5 Br Cl O1.25 -","- C80 H132 Br8 Cl8 O10 -","8","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0218","0.0185","","","0.0404","0.0412","","","","","","1.024","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4129414","12.4202","0.001","18.5765","0.0015","8.408","0.0007","90","","90","","90","","1939.9","0.3","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Asano, Keisuke; Matsubara, Seijiro","Facile net cycloaddition approach to optically active 1,5-benzothiazepines.","Journal of the American Chemical Society","2015","137","16","5320","5323","10.1021/jacs.5b02537","","","0.71075","MoKα","","","0.0218","","","","0.0609","","","","","","1.077","","","","has coordinates","240129","2020-10-21","18:00:00",""
"4129604","8.8931","0.0017","22.261","0.004","7.8277","0.0014","90","","90","","90","","1549.6","0.5","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(3R,3aS,6R,7S,7aS)-Phenyl-3,7-dibromo-2-oxohexahydro -3,6-methanofuro[3,2-b]pyridine-4(2H)-carboxylate","","","- C15 H13 Br2 N O4 -","- C15 H13 Br2 N O4 -","- C60 H52 Br8 N4 O16 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0364","0.0285","","","0.0506","0.052","","","","","","0.91","","","","has coordinates","240296","2020-10-21","18:00:00",""
"4129657","23.8731","0.0007","7.6684","0.0017","8.113","0.008","90","","90","","90","","1485.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H34 Cl2 N2 Ti2 -","- C36 H34 Cl2 N2 Ti2 -","- C72 H68 Cl4 N4 Ti4 -","2","0.5","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","","0.71073","MoKα","","0.0544","0.0417","","","0.0891","0.0939","","","","","","1.019","","","","has coordinates","240336","2020-10-21","18:00:00",""
"4129886","24.9455","0.0002","19.28742","0.00018","11.27639","0.00009","90","","90","","90","","5425.46","0.08","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C86 H162 N16 O35 -","- C86 H162 N16 O35 -","- C172 H324 N32 O70 -","2","0.5","","Li, Qinglian; Qin, Xiangjing; Liu, Jing; Gui, Chun; Wang, Bo; Li, Jie; Ju, Jianhua","Deciphering the Biosynthetic Origin of L-allo-Isoleucine.","Journal of the American Chemical Society","2016","138","1","408","415","10.1021/jacs.5b11380","","","1.54184","CuKα","","0.0472","0.0457","","","0.1275","0.1293","","","","","","1.054","","","","has coordinates","240534","2020-10-21","18:00:00",""
"4130245","20.6494","0.0003","12.6339","0.0002","6.81766","0.00011","90","","90","","90","","1778.61","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0385","0.0316","","","0.0879","0.0912","","","","","","1.044","","","","has coordinates","240747","2020-10-21","18:00:00",""
"4130463","38.445","0.004","13.0221","0.0014","13.658","0.0015","90","","90","","90","","6837.7","1.3","100","0.5","100","0.5","","","","","","","","7","P 21 21 2","P 2 2ab","18","neism18h","","","- C52 H116 Br0.25 Cl1.75 Fe8 Mg1.5 O10 -","- C52 H80 Br0.249 Cl1.751 Fe8 Mg1.5 O10 -","- C208 H320 Br0.996 Cl7.004 Fe32 Mg6 O40 -","4","1","","Muñoz Iii, Salvador B; Daifuku, Stephanie L.; Brennessel, William W.; Neidig, Michael L.","Isolation, Characterization, and Reactivity of Fe8Me12(-): Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts.","Journal of the American Chemical Society","2016","138","24","7492","7495","10.1021/jacs.6b03760","","","0.71073","MoKα","","0.0715","0.0551","","","0.1451","0.156","","","","","","1.028","","","","has coordinates,has disorder","240887","2020-10-21","18:00:00",""
"4130731","14.8428","0.0004","18.9967","0.0006","10.3327","0.0003","90","","90","","90","","2913.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H18 N0 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","2","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0292","0.0285","","","0.0785","0.0792","","","","","","1.047","","","","has coordinates","241111","2020-10-21","18:00:00",""
"4131003","20.9019","0.0019","8.624","0.0007","10.1737","0.0009","90","","90","","90","","1833.9","0.3","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H43 Cl2 Co N3 O2 -","- C42 H41 Cl2 Co N3 O2 -","- C84 H82 Cl4 Co2 N6 O4 -","2","0.5","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0681","0.0512","","","0.0993","0.1082","","","","","","1.027","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131220","15.3515","0.0018","21.677","0.003","8.8389","0.0009","90","","90","","90","","2941.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C68 H44 Cl Ir N2 O4 P2 -","- C68 H44 Cl Ir N2 O4 P2 -","- C136 H88 Cl2 Ir2 N4 O8 P4 -","2","0.5","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0258","0.0246","","","0.068","0.0686","","","","","","1.104","","","","has coordinates","241477","2020-10-21","18:00:00",""
"4131337","14.5702","0.001","6.0644","0.0009","10.9344","0.001","90","","90","","90","","966.16","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C48 H40 N4 O6 -","2","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","1.54178","CuKα","","0.0392","0.0385","","","0.1121","0.1125","","","","","","1.099","","","","has coordinates","241560","2020-10-21","18:00:00",""
"4131341","22.0286","0.0009","13.8772","0.0006","15.944","0.0007","90","","90","","90","","4874","0.4","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0677","0.0466","","","0.0964","0.104","","","","","","1.016","","","","has coordinates,has disorder","241564","2020-10-21","18:00:00",""
"4131659","22.541","0.002","28.224","0.003","11.1173","0.0011","90","","90","","90","","7072.8","1.2","296.15","0.1","296.15","0.1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C210 H240 B16 Cl4 Cu16 F64 N48 O64 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","0.71073","MoKα","","0.1374","0.0816","","","0.2244","0.2671","","","","","","1.02","","","","has coordinates,has disorder","241833","2020-10-21","18:00:00",""
"4132018","28.7833","0.0004","7.6635","0.0001","5.2638","0.0001","90","","90","","90","","1161.09","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0694","0.0699","","","","","","1.081","","","","has coordinates","242060","2020-10-21","18:00:00",""
"4132273","19.4101","","24.8072","","10.7401","","90","","90","","90","","5171.47","","143","","143","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C104 H106 Cl12 N8 O3 Sb2 -","- C106 H70 Cl12 N8 O3 Sb2 -","- C212 H140 Cl24 N16 O6 Sb4 -","2","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.1065","0.0845","","","0.1989","0.2173","","","","","","1.105","","","","has coordinates","242270","2020-10-21","18:00:00",""
"4132760","12.4461","0.0004","15.3301","0.0005","11.6893","0.0003","90","","90","","90","","2230.32","0.12","100","","100","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H62 I N2 P2 U -","- C44 H62 I N2 P2 U -","- C88 H124 I2 N4 P4 U2 -","2","0.5","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.045","0.0299","","","0.0656","0.0707","","","","","","1.005","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132890","16.751","0.0018","18.5377","0.0019","11.9955","0.0013","90","","90","","90","","3724.9","0.7","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H48 Cl N O2 P Rh -","- C44 H48 Cl N O2 P Rh -","- C176 H192 Cl4 N4 O8 P4 Rh4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0439","0.0401","","","0.0912","0.0933","","","","","","1.096","","","","has coordinates","242763","2020-10-21","18:00:00",""
"4132939","19.161","0.003","34.02","0.005","14.927","0.002","90","","90","","90","","9730","2","230","","230","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 Mo6 O64.5 -","- C48 H56 Mo6 O64.5 -","- C192 H224 Mo24 O258 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","x-ray","0.71073","MoKα","","0.045","0.0401","","","0.1111","0.1144","","","","","","1.043","","","","has coordinates","242802","2020-10-21","18:00:00",""
"4132940","19.19","0.002","33.973","0.004","14.9308","0.0018","90","","90","","90","","9734","1.9","200","2","200","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 O72.5 W6 -","- C48 H56 O72.5 W6 -","- C192 H224 O290 W24 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","","0.71073","MoKα","","0.0387","0.0351","","","0.084","0.0863","","","","","","1.046","","","","has coordinates","242803","2020-10-21","18:00:00",""
"4133207","9.8881","0.0015","5.814","0.0009","9.7349","0.0015","90","","90","","90","","559.65","0.15","90","2","90","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C30 H24 N4 -","2","0.5","","Taniguchi, Tohru; Suzuki, Takahiro; Satoh, Haruka; Shichibu, Yukatsu; Konishi, Katsuaki; Monde, Kenji","Preparation of Carbodiimides with One-Handed Axial Chirality.","Journal of the American Chemical Society","2018","140","46","15577","15581","10.1021/jacs.8b08969","","","0.71073","MoKα","","0.0526","0.0351","","","0.0708","0.0784","","","","","","1.051","","","","has coordinates","243044","2020-10-21","18:00:00",""
"4133215","35.1304","0.001","11.2909","0.0003","12.404","0.0004","90","","90","","90","","4920.1","0.2","120","","120","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56.91 H52.86 Br Cl N6.95 O2.55 -","- C56.906 H52.859 Br Cl N6.953 O2.547 -","- C227.624 H211.436 Br4 Cl4 N27.812 O10.188 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0985","0.0852","","0.216","0.2117","0.216","","","","","","1.0183","","","","has coordinates,has disorder","243052","2020-10-21","18:00:00",""
"4133368","35.3331","0.0015","47.455","0.002","20.2692","0.0009","90","","90","","90","","33986","3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O610.2 -","- C96 H148 Ce8 Mo264 N48 O1220.4 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0436","0.0404","","","0.1063","0.1108","","","","","","1.089","","","","has coordinates,has disorder","243174","2020-10-21","18:00:00",""
"4133369","34.9681","0.0011","45.6548","0.0015","20.6531","0.0007","90","","90","","90","","32971.9","1.9","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C86 H94 Ce4 Mo124 N16 Na2 O556.3 -","- C172 H188 Ce8 Mo248 N32 Na4 O1112.6 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.046","0.0408","","","0.1042","0.1115","","","","","","1.106","","","","has coordinates,has disorder","243175","2020-10-21","18:00:00",""
"4133371","34.961","0.003","45.659","0.004","20.6838","0.0014","90","","90","","90","","33017","5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C85.2 H100 Ce4 Mo124.04 N16 Na1.3 O541.9 -","- C170.4 H200 Ce8 Mo248.08 N32 Na2.6 O1083.8 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0608","0.0476","","","0.1212","0.1345","","","","","","1.083","","","","has coordinates,has disorder","243177","2020-10-21","18:00:00",""
"4133372","35.356","0.003","47.448","0.004","20.2608","0.0015","90","","90","","90","","33989","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O616.6 -","- C96 H148 Ce8 Mo264 N48 O1233.2 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0431","0.0388","","","0.1011","0.1055","","","","","","1.07","","","","has coordinates,has disorder","243178","2020-10-21","18:00:00",""
"4133373","35.219","0.006","44.928","0.008","20.818","0.004","90","","90","","90","","32941","10","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C34.8 H90 Ce4 Mo124 N24 O554.5 -","- C69.6 H180 Ce8 Mo248 N48 O1109 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0611","0.0472","","","0.117","0.1289","","","","","","1.074","","","","has coordinates,has disorder","243179","2020-10-21","18:00:00",""
"4133374","35.056","0.003","45.188","0.004","20.8435","0.0018","90","","90","","90","","33018","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C36 H88 Ce4 Mo124 N23 O571.16 -","- C72 H176 Ce8 Mo248 N46 O1142.32 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0483","0.0398","","","0.0983","0.105","","","","","","1.068","","","","has coordinates,has disorder","243180","2020-10-21","18:00:00",""
"4133567","30.418","0.003","31.784","0.003","12.38","0.0012","90","","90","","90","","11969","2","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62.5 H42.5 Cl1.5 N6 O12 -","- C62.5 H42.5 Cl1.5 N6 O12 -","- C500 H340 Cl12 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0654","0.0578","","","0.1663","0.1756","","","","","","1.066","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133568","30.3071","0.0018","32.069","0.002","12.6054","0.0008","90","","90","","90","","12251.4","1.3","100","2","99.99","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C62 H42 N6 O12 -","- C62 H42 N6 O12 -","- C496 H336 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.2166","0.1129","","","0.241","0.3309","","","","","","1.122","","","","has coordinates","243325","2020-10-21","18:00:00",""
"4133570","30.1044","0.0009","31.9984","0.001","12.4179","0.0004","90","","90","","90","","11962.1","0.6","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C131.3 H100.6 Cl1.3 N12 O24 -","- C131.3 H100.6 Cl1.3 N12 O24 -","- C525.2 H402.4 Cl5.2 N48 O96 -","4","1","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0701","0.0611","","","0.1617","0.1685","","","","","","1.014","","","","has coordinates","243327","2020-10-21","18:00:00",""
"4133615","100.02","0.02","18.644","0.004","29.23","0.006","90","","90","","90","","54507","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C270 H240 N105 O87.75 S30 -","- C270.5 H240 N105 O87.25 S30 -","- C1082 H960 N420 O349 S120 -","4","1","","Liu, Bin; Pappas, Charalampos G.; Zangrando, Ennio; Demitri, Nicola; Chmielewski, Piotr J.; Otto, Sijbren","Complex Molecules That Fold Like Proteins Can Emerge Spontaneously.","Journal of the American Chemical Society","2019","141","4","1685","1689","10.1021/jacs.8b11698","","","0.7","synchrotron","","0.1605","0.1336","","","0.3475","0.3744","","","","","","1.253","","","","has coordinates,has disorder","243363","2020-10-21","18:00:00",""
"4134535","11.6067","0.0001","26.8486","0.0003","8.9726","0.0001","90","","90","","90","","2796.07","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65.5 H61 Cl3 O2 -","- C65.5 H61 Cl3 O2 -","- C131 H122 Cl6 O4 -","2","0.5","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0556","0.0537","","","0.1504","0.1522","","","","","","1.067","","","","has coordinates","250061","2020-10-21","18:00:00",""
"4134600","17.8071","0.0013","20.7861","0.0017","11.1015","0.0008","90","","90","","90","","4109.1","0.5","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42.5 H32 Cl5 F3 N2 O Pd -","- C42.5 H32 Cl5 F3 N2 O Pd -","- C170 H128 Cl20 F12 N8 O4 Pd4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0326","0.0287","","","0.0642","0.0663","","","","","","1.022","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4135313","15.7106","0.001","7.0972","0.0004","11.3233","0.0007","90","","90","","90","","1262.56","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0308","0.0303","","","0.0787","0.0793","","","","","","1.092","","","","has coordinates,has disorder","258628","2020-10-29","23:46:07",""
"4135332","39.5169","0.0007","11.9534","0.0002","12.6942","0.0002","90","","90","","90","","5996.25","0.17","170","2","169.97","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C232 H264 N8 O32 S8 -","8","2","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.34139","GaKα","","0.063","0.0488","","","0.1203","0.129","","","","","","1.043","","","","has coordinates","259525","2020-12-04","02:23:31",""
"4135358","14.5785","0.0005","11.9443","0.0004","10.9829","0.0005","90","","90","","90","","1912.45","0.13","140","0.1","140","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H52 Cl2 Rh2 -","- C46 H52 Cl2 Rh2 -","- C92 H104 Cl4 Rh4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0343","0.027","","","0.0504","0.0536","","","","","","1.054","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135487","35.208","0.009","8.244","0.002","9.711","0.003","90","","90","","90","","2818.7","1.3","296","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","","Yao, Ya-Hong; Yang, Hui-Yi; Chen, Ming; Wu, Fei; Xu, Xing-Xing; Guan, Zheng-Hui","Asymmetric Markovnikov Hydroaminocarbonylation of Alkenes Enabled by Palladium-Monodentate Phosphoramidite Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11249","","","0.71073","MoKα","","0.0993","0.0537","","","0.1067","0.1243","","","","","","0.969","","","","has coordinates","260328","2021-01-01","00:30:21",""
"4300863","36.523","0.006","8.2197","0.0011","10.1723","0.0016","90","","90","","90","","3053.8","0.8","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Cl N3 O10.5 Re -","- C26 H36 Cl N3 O10.5 Re -","- C104 H144 Cl4 N12 O42 Re4 -","4","1","","Storr, Tim; Sugai, Yuko; Barta, Cheri A.; Mikata, Yuji; Adam, Michael J.; Yano, Shigenobu; Orvig, Chris","Carbohydrate-Appended 2,2'-Dipicolylamine Metal Complexes as Potential Imaging Agents","Inorganic Chemistry","2005","44","8","2698","2705","10.1021/ic048528i","","","0.71073","MoKα","","0.0261","0.0219","","","0.0494","0.0508","","","","","","1.038","","","","has coordinates","210174","2020-10-21","18:00:00",""
"4301696","15.6995","0.0003","19.3011","0.0004","7.1504","0.0002","90","","90","","90","","2166.7","0.09","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H32 Cl Ir Zr -","- C22 H32 Cl Ir Zr -","- C88 H128 Cl4 Ir4 Zr4 -","4","1","","Masataka Oishi; Hiroharu Suzuki","Zirconocene-Iridium Hydrido Complexes: Arene Carbon-Hydrogen Bond Activation and Formation of a Planar Square Zr2Ir2 Complex","Inorganic Chemistry","2009","48","","2349","2351","10.1021/ic8020113","","","0.71069","MoKα","","0.0264","0.0254","","","0.0598","0.0603","","","","","","1.118","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4302174","22.704","0.005","28.963","0.006","12.929","0.003","90","","90","","90","","8502","3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C79 H122 Fe4 N6 O15 -","- C79 H122 Fe4 N6 O15 -","- C316 H488 Fe16 N24 O60 -","4","1","","Reena Singh; Atanu Banerjee; Enrique Colacio; Kajal Krishna Rajak","Enantiopure Tetranuclear Iron(III) Complexes Using Chiral Reduced Schiff Base Ligands: Synthesis, Structure, Spectroscopy, Magnetic Properties, and DFT Studies","Inorganic Chemistry","2009","48","","4753","4762","10.1021/ic802206q","","","0.71073","MoKα","","0.0566","0.049","","","0.1369","0.1447","","","","","","1.076","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302846","10.112","0.0016","19.466","0.003","6.0785","0.0009","90","","90","","90","","1196.5","0.3","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C8 H17 B F4 N2 Ni S -","- C8 H17 B F4 N2 Ni S -","- C32 H68 B4 F16 N8 Ni4 S4 -","4","1","","Roxanne M. Jenkins; Michael L. Singleton; Elky Almaraz; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Imidazole-Containing (N3S)-NiII Complexes Relating to Nickel Containing Biomolecules","Inorganic Chemistry","2009","48","","7280","7293","10.1021/ic900778k","","","1.54178","CuKα","","0.0927","0.065","","","0.1469","0.1578","","","","","","1.024","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4303120","15.4303","0.0002","33.4889","0.0004","9.9541","0.0001","90","","90","","90","","5143.72","0.1","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H87 N4 O7.5 Zr2 -","- C44 H87 N4 O7.5 Zr2 -","- C176 H348 N16 O30 Zr8 -","4","1","","Ekaterina Sergeeva; Jacob Kopilov; Israel Goldberg; Moshe Kol","2,2'-Bipyrrolidine versus 1,2-Diaminocyclohexane as Chiral Cores for Helically Wrapping Diamine-Diolate Ligands","Inorganic Chemistry","2009","48","","8075","8077","10.1021/ic901367k","","","0.71073","MoKα","","0.0617","0.042","","","0.0919","0.101","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303206","10.735","0.002","23.417","0.005","8.9325","0.0018","90","","90","","90","","2245.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H48 Ge5 Mn2 N12 Te10 -","- C12 Ge5 Mn2 N12 Te10 -","- C24 Ge10 Mn4 N24 Te20 -","2","0.5","","Qichun Zhang; Gerasimos Armatas; Mercouri G. Kanatzidis","Activation of Tellurium with Zintl Ions: 1/\ιnfty{[Ge5Te10]4-}, An Inorganic Polymer with Germanium in Three Different Oxidation States","Inorganic Chemistry","2009","48","","8665","8667","10.1021/ic901282g","","","0.71073","MoKα","","0.0238","0.0231","","","0.0577","0.058","","","","","","1.066","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303472","15.516","0.004","24.754","0.005","9.17","0.002","90","","90","","90","","3522","1.4","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C66 H67 B2 Fe2 Mn2 N23 O6 -","- C66 H67 B2 Fe2 Mn2 N23 O6 -","- C132 H134 B4 Fe4 Mn4 N46 O12 -","2","0.5","","He-Rui Wen; Yun-Zhi Tang; Cai-Ming Liu; Jing-Lin Chen; Chang-Lin Yu","One-Dimensional Homochiral Cyano-Bridged Heterometallic Chain Coordination Polymers with Metamagnetic or Ferroelectric Properties","Inorganic Chemistry","2009","48","","10177","10185","10.1021/ic901224f","","","0.71073","MoKα","","0.0737","0.0634","","","0.1378","0.1409","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4303473","15.49","0.003","24.726","0.005","9.1639","0.0018","90","","90","","90","","3509.8","1.2","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C66 H67 B2 Fe2 Mn2 N23 O6 -","- C66 H67 B2 Fe2 Mn2 N23 O6 -","- C132 H134 B4 Fe4 Mn4 N46 O12 -","2","0.5","","He-Rui Wen; Yun-Zhi Tang; Cai-Ming Liu; Jing-Lin Chen; Chang-Lin Yu","One-Dimensional Homochiral Cyano-Bridged Heterometallic Chain Coordination Polymers with Metamagnetic or Ferroelectric Properties","Inorganic Chemistry","2009","48","","10177","10185","10.1021/ic901224f","","","0.71073","MoKα","","0.0944","0.0754","","","0.1849","0.1918","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305408","5.3321","0.0009","7.4268","0.0012","15.101","0.002","90","","90","","90","","598.01","0.16","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H14 Ge3 N2 O6 -","- C6 H14 Ge3 N2 O6 -","- C12 H28 Ge6 N4 O12 -","2","0.5","","Felipe Gándara; Manuela E. Medina; Natalia Snejko; Berta Gómez-Lor; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","Two-Dimensional Hybrid Germanium Zeotype Formed by Selective Coordination of the trans-1,2-Diaminocyclohexane Isomer to the Ge Atom: Heterogeneous Acid-Base Bifunctional Catalyst","Inorganic Chemistry","2008","47","","6791","6795","10.1021/ic8004097","","","0.71073","MoKα","","0.0837","0.0597","","","0.1327","0.1419","","","","","","1.072","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305622","14.76","0.003","15.749","0.003","8.2992","0.0017","90","","90","","90","","1929.2","0.7","180","","180","","","","","","","","synthesis as described","7","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl3 Cu2 Gd N6 O8 -","- C30 H32 Cl3 Cu2 Gd N6 O8 -","- C60 H64 Cl6 Cu4 Gd2 N12 O16 -","2","0.5","","Fatima Zohra Chiboub Fellah; Jean-Pierre Costes; Françoise Dahan; Carine Duhayon; Ghenadie Novitchi; Jean-Pierre Tuchagues; Laure Vendier","Di- and Triheteronuclear Cu-Gd and Cu-Gd-Cu Complexes with Dissymmetric Double Bridge","Inorganic Chemistry","2008","47","","6444","6451","10.1021/ic800599r","","","0.71073","MoKα","","0.117","0.0819","","","0.1663","0.1809","","","","","","0.872","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305907","16.533","0.003","31.877","0.006","14.127","0.003","90","","90","","90","","7445","3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C84 H176 Br8 N50 O77 Yb4 -","- C84 H86 Br8 N50 O77 Yb4 -","- C168 H172 Br16 N100 O154 Yb8 -","2","0.5","","Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin","Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers","Inorganic Chemistry","2008","47","","8869","8880","10.1021/ic8008317","","x-ray","0.71073","MoKα","","0.0368","0.0325","","","0.0604","0.0615","","","","","","1.171","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4306508","15.9694","0.0014","43.457","0.004","9.0848","0.0008","90","","90","","90","","6304.7","1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H80 Cl6 N6 O7 Zn3 -","- C48 H78 Cl6 N6 O7 Zn3 -","- C192 H312 Cl24 N24 O28 Zn12 -","4","1","","Bi-Xue Zhu; Qi-Long Zhang; Yun-Qian Zhang; Tao Zhu; Jack K. Clegg; Leonard F. Lindoy; Gang Wei","Four Zinc(II) Helical Coordination Polymers and 78-Membered Six-Node Zinc Metallacycle Assembled from Diastereopure N,N'-Bis(acetylacetone)cyclohexanediimine","Inorganic Chemistry","2008","47","","10053","10061","10.1021/ic801329g","","","0.71073","MoKα","","0.096","0.0517","","","0.1227","0.1373","","","","","","1.034","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306576","21.6208","0.0004","8.3474","0.0002","11.6482","0.0002","90","","90","","90","","2102.24","0.07","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H11 Mn N2 O9 -","- C14 H12 Mn N2 O9 -","- C56 H48 Mn4 N8 O36 -","4","1","","Areg Zingiryan; Jian Zhang; Xianhui Bu","Cooperative Self-Assembly of Chirall-Malate and Achiral Succinate in the Formation of a Three-Dimensional Homochiral Framework","Inorganic Chemistry","2008","47","","8607","8609","10.1021/ic801404p","","","0.71073","MoKα","","0.0961","0.0773","","","0.2223","0.2384","","","","","","1.067","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306767","12.2869","0.0005","27.6134","0.0011","9.5143","0.0004","90","","90","","90","","3228","0.2","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C34 H60 Ag4 F12 O12 S16 Si3 -","- C34 H60 Ag4 F12 O12 S16 Si3 -","- C68 H120 Ag8 F24 O24 S32 Si6 -","2","0.5","","Chinwon Rim; Hongming Zhang; David Y. Son","Silyl-Substituted Thioether Ligands and Their Ag(I) Complexes","Inorganic Chemistry","2008","47","","11993","12003","10.1021/ic801580t","","","0.71073","MoKα","","0.049","0.042","","","0.087","0.09","","","","","","1.086","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4307449","13.535","0.003","14.232","0.003","10.638","0.002","90","","90","","90","","2049.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C38 H22 Cu6 N14 Ni S2 -","- C38 H22 Cu6 N14 Ni S2 -","- C76 H44 Cu12 N28 Ni2 S4 -","2","0.5","","Xiao-Ping Zhou; Wen-Xiu Ni; Shun-Ze Zhan; Jia Ni; Dan Li; Ye-Gao Yin","From Encapsulation to Polypseudorotaxane: Unusual Anion Networks Driven by Predesigned Metal Bis(terpyridine) Complex Cations","Inorganic Chemistry","2007","46","","2345","2347","10.1021/ic061927o","","","0.71073","MoKα","","0.0936","0.0721","","","0.1785","0.1927","","","","","","1.039","","","","has coordinates","179112","2020-10-21","18:00:00",""
"4307450","13.582","0.002","13.9512","0.0019","10.6531","0.0016","90","","90","","90","","2018.6","0.5","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C38 H22 Co Cu6 N14 S2 -","- C38 H22 Co Cu6 N14 S2 -","- C76 H44 Co2 Cu12 N28 S4 -","2","0.5","","Xiao-Ping Zhou; Wen-Xiu Ni; Shun-Ze Zhan; Jia Ni; Dan Li; Ye-Gao Yin","From Encapsulation to Polypseudorotaxane: Unusual Anion Networks Driven by Predesigned Metal Bis(terpyridine) Complex Cations","Inorganic Chemistry","2007","46","","2345","2347","10.1021/ic061927o","","","0.71073","MoKα","","0.1147","0.077","","","0.1898","0.2152","","","","","","1.052","","","","has coordinates","179112","2020-10-21","18:00:00",""
"4308402","43.335","0.009","12.353","0.003","14.795","0.003","90","","90","","90","","7920","3","185","2","185","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- As2 Ce K7.5 O144.5 W34 -","- As2 Ce K7.5 O144.5 W34 -","- As4 Ce2 K15 O289 W68 -","2","0.5","","Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.; Contant, Roland; Keita, Bineta; Mbomekalle, Israel-Martyr; Nadjo, Louis","Confirmation of the Semivacant Wells–Dawson Polyoxotungstate Skeleton. The Structures of [Ce{X(H4)W17O61}2]19- (X = P, As) Indicate the Probable Location of Internal Protons","Inorganic Chemistry","2005","44","2","169","171","10.1021/ic048920w","","","0.71073","MoKα","","0.0856","0.0589","","","0.1343","0.1444","","","","","","1.066","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308403","43.477","0.016","12.427","0.005","14.861","0.006","90","","90","","90","","8029","5","182","2","182","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Ce K10 O141.6 P2 W34 -","- Ce K10 O141.6 P2 W34 -","- Ce2 K20 O283.2 P4 W68 -","2","0.5","","Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.; Contant, Roland; Keita, Bineta; Mbomekalle, Israel-Martyr; Nadjo, Louis","Confirmation of the Semivacant Wells–Dawson Polyoxotungstate Skeleton. The Structures of [Ce{X(H4)W17O61}2]19- (X = P, As) Indicate the Probable Location of Internal Protons","Inorganic Chemistry","2005","44","2","169","171","10.1021/ic048920w","","","0.71073","MoKα","","0.0825","0.0711","","","0.1681","0.1738","","","","","","1.076","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308727","14.4302","0.0008","17.817","0.0011","19.3072","0.0009","90","","90","","90","","4963.9","0.5","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C78 H76 Cd Cl2 N4 O16 -","- C78 H68 Cd Cl2 N4 O16 -","- C156 H136 Cd2 Cl4 N8 O32 -","2","0.5","","Chuan-De Wu; Wenbin Lin","Self-Assembly of Homochiral Porous Solids Based on 1D Cadmium(II) Coordination Polymers","Inorganic Chemistry","2005","44","","1178","1180","10.1021/ic048671b","","","0.71073","MoKα","","","0.1226","","","0.2959","0.3646","","","","","","1.02","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308821","16.0107","0.0006","16.0114","0.0006","21.5577","0.0008","90","","90","","90","","5526.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Tetrabutylammonium manganese(II) dicyanamide","Tetrabutylammonium manganese(II) dicyanamide","","- C22 H36 Mn N10 -","- C22 H36 Mn N10 -","- C176 H288 Mn8 N80 -","8","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0684","0.0376","","","0.0918","0.1071","","","","","","1.011","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308822","15.6842","0.0005","15.6841","0.0006","21.1551","0.0008","90","","90","","90","","5204","0.3","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Tetrabutylammonium nickel(II) dicyanamide","Tetrabutylammonium nickel(II) dicyanamide","","- C22 H36 N10 Ni -","- C22 H36 N10 Ni -","- C176 H288 N80 Ni8 -","8","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.079","0.0389","","","0.0868","0.1025","","","","","","1.007","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4309272","13.6094","0.0014","23.118","0.002","9.134","0.001","90","","90","","90","","2873.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H31 Cl O19.5 V3 -","- C12 H24 Cl O16 V3 -","- C48 H96 Cl4 O64 V12 -","4","1","","Fiona H. Fry; Brenda A. Dougan; Nichola McCann; Christopher J. Ziegler; Nicola E. Brasch","Characterization of Novel Vanadium(III)/Acetate Clusters Formed in Aqueous Solution","Inorganic Chemistry","2005","44","","5197","5199","10.1021/ic050336f","","","0.71073","MoKα","","0.0453","0.0431","","","0.1083","0.1094","","","","","","1.064","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4310192","9.588","0.0007","26.56","0.002","9.5467","0.0007","90","","90","","90","","2431.1","0.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H29 O2 P Pd -","- C27 H29 O2 P Pd -","- C108 H116 O8 P4 Pd4 -","4","1","","Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung","Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine","Inorganic Chemistry","2005","44","","9874","9886","10.1021/ic0509579","","","0.71073","MoKα","","0.0585","0.0449","","","0.0838","0.0883","","","","","","1.029","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310719","11.744","0.002","11.849","0.002","14.331","0.003","90","","90","","90","","1994.2","0.6","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C12 K4 Mo4 N12 Na4 O12 Se4 -","- C12 K4 Mo4 N12 Na4 O12.02 Se4 -","- C24 K8 Mo8 N24 Na8 O24.04 Se8 -","2","0.5","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters","Inorganic Chemistry","2004","43","","1902","1911","10.1021/ic035050u","","","0.71073","MoKα","","0.036","0.0357","","","0.0951","0.0957","","","","","","1.045","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4311146","37.254","0.014","7.287","0.003","6.054","0.002","90","","90","","90","","1643.5","1.1","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H18 Au2 O2 S4 -","- C10 H18 Au2 O2 S4 -","- C40 H72 Au8 O8 S16 -","4","1","","Ahmed A. Mohamed; Ibrahim Kani; Anna O. Ramirez; John P. Fackler","Synthesis, Characterization, and Luminescent Properties of Dinuclear Gold(I) Xanthate Complexes: X-ray Structure of [Au2(nBu-xanthate)2]","Inorganic Chemistry","2004","43","","3833","3839","10.1021/ic0349858","","","0.71073","MoKα","","0.0876","0.0706","","","0.1772","0.1869","","","","","","1.068","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311402","17.6167","0.0001","19.0794","0.0003","11.1204","0.0004","90","","90","","90","","3737.75","0.15","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H70 Cu3 N28 O8 W2 -","- C64 H66 Cu3 N28 O8 W2 -","- C128 H132 Cu6 N56 O16 W4 -","2","0.5","","Tomasz Korzeniak; Katarzyna Stadnicka; Michał Rams; Barbara Sieklucka","Grid-Type Two-Dimensional Magnetic Multinuclear Metal Complex: Strands of {[CuII(μ-4,4'-bpy)]2+}n Cross-Linked by Octacyanotungstate(V) Ions","Inorganic Chemistry","2004","43","","4811","4813","10.1021/ic049402o","","","0.71073","MoKα","","0.0289","0.0273","","","0.0822","0.0865","","","","","","1.283","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311784","12.028","0.002","16.541","0.003","8.611","0.002","90","","90","","90","","1713.2","0.6","293","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- Se10 Sn2 Sr4 -","- Se10 Sn2 Sr4 -","- Se40 Sn8 Sr16 -","4","1","","Regina Pocha; Dirk Johrendt","Crystal Structures of Sr4Sn2Se9 and Sr4Sn2Se10 and the Oxidation State of Tin in an Unusual Geometry","Inorganic Chemistry","2004","43","","6830","6837","10.1021/ic049663y","","","0.71073","MoKα","","0.0573","0.0464","","","0.1083","0.1141","","","","","","1.05","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4313219","15.456","0.001","31.731","0.002","8.331","0.001","90","","90","","90","","4085.8","0.6","296","","296","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C17 H14.5 Br N4.5 O2 S2 V -","- C16.5 H13 Br N4.25 O2 S2 V -","- C132 H104 Br8 N34 O16 S16 V8 -","8","2","","Satyabrata Samanta; Dipesh Ghosh; Suman Mukhopadhyay; Akira Endo; Timothy J. R. Weakley; Muktimoy Chaudhury","Oxovanadium(IV) and -(V) Complexes of Dithiocarbazate-Based Tridentate Schiff Base Ligands: Syntheses, Structure, and Photochemical Reactivity of Compounds Involving Imidazole Derivatives as Coligands","Inorganic Chemistry","2003","42","","1508","1517","10.1021/ic020438v","","","0.71073","MoKα","","0.102","0.059","","0.105","","0.052","","","1.38","","","1.45","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313542","21.771","0.004","13.7","0.002","20.017","0.003","90","","90","","90","","5970.3","1.7","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H58 N26 Ni3 O29.5 -","- C30 H58 N26 Ni3 O29.5 -","- C120 H232 N104 Ni12 O118 -","4","1","","Zhiqiang Xu; Laurence K. Thompson; Victoria A. Milway; Liang Zhao; Timothy Kelly; David O. Miller","Self-Assembled Dinuclear, Trinuclear, Tetranuclear, Pentanuclear, and Octanuclear Ni(II) Complexes of a Series of Polytopic Diazine Based Ligands: Structural and Magnetic Properties","Inorganic Chemistry","2003","42","","2950","2959","10.1021/ic0206950","","","0.71073","MoKα","","0.1506","0.0926","","","0.2528","0.2804","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313713","6.9137","0.0006","14.975","0.001","9.4432","0.0009","90","","90","","90","","977.68","0.14","273.2","","273.2","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C7 H10 Cl2 N2 Pt -","- C7 H10 Cl2 N2 Pt -","- C28 H40 Cl8 N8 Pt4 -","4","1","","Vivienne P. Munk; Connie I. Diakos; Leanne T. Ellis; Ronald R. Fenton; Barbara A. Messerle; Trevor W. Hambley","Investigations into the Interactions between DNA and Conformationally Constrained Pyridylamineplatinum(II) Analogues of AMD473","Inorganic Chemistry","2003","42","","3582","3590","10.1021/ic0340231","","","0.7107","MoKα","","0.0281","0.0277","","0.0393","","0.0392","","","1.654","","","1.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314787","23.2529","0.001","18.4727","0.0008","19.1547","0.0008","90","","90","","90","","8227.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C121 H245 N16 Si12 U4 -","- C121 H244.988 N16 Si12 U4 -","- C242 H489.976 N32 Si24 U8 -","2","0.5","","Brian S. Newell; Anthony K. Rappé; Matthew P. Shores","Experimental Evidence for Magnetic Exchange in Di- and Trinuclear Uranium(IV) Ethynylbenzene Complexes","Inorganic Chemistry","2010","49","","1595","1606","10.1021/ic901986w","","","0.71073","MoKα","","0.1097","0.1054","","","0.2554","0.2578","","","","","","1.218","","","","has coordinates,has disorder","179227","2020-10-21","18:00:00",""
"4314951","14.675","0.002","28.204","0.004","9.7815","0.0012","90","","90","","90","","4048.5","0.9","213","2","213","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64 H124 O24 P4 Zn4 -","- C64 H108 O24 P4 Zn4 -","- C128 H216 O48 P8 Zn8 -","2","0.5","","Ramaswamy Murugavel; Subramaniam Kuppuswamy; Nayanmoni Gogoi; Alexander Steiner","Assembling Discrete D4R Zeolite SBUs through Noncovalent Interactions. 3.(1) Mediation by Butanols and 1,2-Bis(dimethylamino)ethane","Inorganic Chemistry","2010","49","","2153","2162","10.1021/ic901932r","","","0.71073","MoKα","","0.0417","0.0347","","","0.081","0.0834","","","","","","0.997","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4314952","14.675","0.002","27.914","0.004","10.0055","0.0013","90","","90","","90","","4098.6","1","213","2","213","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64 H124 O24 P4 Zn4 -","- C64 H108 O24 P4 Zn4 -","- C128 H216 O48 P8 Zn8 -","2","0.5","","Ramaswamy Murugavel; Subramaniam Kuppuswamy; Nayanmoni Gogoi; Alexander Steiner","Assembling Discrete D4R Zeolite SBUs through Noncovalent Interactions. 3.(1) Mediation by Butanols and 1,2-Bis(dimethylamino)ethane","Inorganic Chemistry","2010","49","","2153","2162","10.1021/ic901932r","","","0.71073","MoKα","","0.0983","0.0653","","","0.135","0.144","","","","","","0.98","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4315703","20.948","0.009","12.634","0.006","11.03","0.005","90","","90","","90","","2919","2","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Lu((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 Lu N13 O18 -","- C42 H58 Lu N13 O18 -","- C84 H116 Lu2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0503","","","","0.1363","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315704","21.108","0.0013","12.6039","0.001","10.9408","0.0007","90","","90","","90","","2910.7","0.3","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Ho((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 Ho N13 O18 -","- C42 H58 Ho N13 O18 -","- C84 H116 Ho2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.038","","","","0.1216","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315705","21.053","0.01","12.611","0.006","10.966","0.005","90","","90","","90","","2911","2","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Er((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 Er N13 O18 -","- C42 H58 Er N13 O18 -","- C84 H116 Er2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.041","","","","0.1274","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315706","21.0064","0.0011","12.6257","0.0008","11.0072","0.0005","90","","90","","90","","2919.3","0.3","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Tm((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 N13 O18 Tm -","- C42 H58 N13 O18 Tm -","- C84 H116 N26 O36 Tm2 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0388","","","","0.1211","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315707","20.989","0.002","12.6023","0.0014","10.9793","0.0013","90","","90","","90","","2904.1","0.5","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Yb((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 N13 O18 Yb -","- C42 H58 N13 O18 Yb -","- C84 H116 N26 O36 Yb2 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0407","","","","0.1262","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315708","21.1424","0.0009","12.649","0.0005","10.9576","0.0004","90","","90","","90","","2930.4","0.2","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Dy((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 Dy N13 O18 -","- C42 H58 Dy N13 O18 -","- C84 H116 Dy2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0388","","","","0.1152","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315709","22.01","0.011","12.808","0.007","10.712","0.005","90","","90","","90","","3020","3","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[La((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 La N13 O18 -","- C42 H58 La N13 O18 -","- C84 H116 La2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0521","","","","0.1666","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315710","21.783","0.009","12.804","0.005","10.727","0.005","90","","90","","90","","2992","2","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Ce((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 Ce N13 O18 -","- C42 H58 Ce N13 O18 -","- C84 H116 Ce2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0788","","","","0.2158","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315711","21.762","0.015","12.692","0.009","10.717","0.007","90","","90","","90","","2960","4","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Pr((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 N13 O18 Pr -","- C42 H58 N13 O18 Pr -","- C84 H116 N26 O36 Pr2 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0451","","","","0.1492","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315712","21.745","0.013","12.726","0.008","10.74","0.006","90","","90","","90","","2972","3","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Nd((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 N13 Nd O18 -","- C42 H58 N13 Nd O18 -","- C84 H116 N26 Nd2 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.048","","","","0.1465","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315713","21.666","0.003","12.69","0.002","10.8003","0.0014","90","","90","","90","","2969.5","0.7","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Sm((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 N13 O18 Sm -","- C42 H58 N13 O18 Sm -","- C84 H116 N26 O36 Sm2 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0527","","","","0.1587","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315714","21.4789","0.0015","12.6513","0.0008","10.7958","0.0007","90","","90","","90","","2933.6","0.3","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Eu((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 Eu N13 O18 -","- C42 H58 Eu N13 O18 -","- C84 H116 Eu2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0457","","","","0.124","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315715","21.394","0.013","12.674","0.008","10.872","0.007","90","","90","","90","","2948","3","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Gd((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 Gd N13 O18 -","- C42 H58 Gd N13 O18 -","- C84 H116 Gd2 N26 O36 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0481","","","","0.149","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315716","21.2304","0.0015","12.6866","0.0008","10.9017","0.0008","90","","90","","90","","2936.3","0.4","123.1","","123.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Tb((S,S)-tBu-pbxa)2](NO3)3","","","- C42 H60 N13 O18 Tb -","- C42 H58 N13 O18 Tb -","- C84 H116 N26 O36 Tb2 -","2","0.5","","Kenji Matsumoto; Keita Suzuki; Toshiaki Tsukuda; Taro Tsubomura","A Chiral 2,6-Bis(Oxazolinyl)Pyridine Ligand with Amide Groups to Form Isomorphous Complexes through All the Lanthanoid Series","Inorganic Chemistry","2010","49","","4717","4719","10.1021/ic901743q","","","0.7107","MoKα","","","0.0595","","","","0.1419","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316852","14.7015","0.0005","18.1668","0.0006","10.5297","0.0003","90","","90","","90","","2812.26","0.16","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Li2[NSiN]Ar(6THF)","","","- C54 H96 Li2 N2 O6 Si -","- C54 H96 Li2 N2 O6 Si -","- C108 H192 Li4 N4 O12 Si2 -","2","0.5","","S. M. Ibrahim Al-Rafia; Paul A. Lummis; Michael J. Ferguson; Robert McDonald; Eric Rivard","Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically Tunable Bis(amido)silyl Ligands","Inorganic Chemistry","2010","49","","9709","9717","10.1021/ic101485a","","","0.71073","MoKα","","0.0593","0.0491","","","0.1376","0.147","","","","","","1.051","","","","has coordinates,has disorder","179248","2020-10-21","18:00:00",""
"4317606","19.5532","0.0008","20.4057","0.0008","10.2203","0.0004","90","","90","","90","","4077.9","0.3","213","2","213","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C24 H48 Fe3 N8 O3 S8 V -","- C24 H48 Fe3 N8 O3 S8 V -","- C96 H192 Fe12 N32 O12 S32 V4 -","4","1","","Dmitry V. Fomitchev; Craig C. McLauchlan; R. H. Holm","Heterometal Cubane-Type MFe3S4 Clusters (M = Mo, V) Trigonally Symmetrized with Hydrotris(pyrazolyl)borate(1-) and Tris(pyrazolyl)methanesulfonate(1-) Capping Ligands","Inorganic Chemistry","2002","41","","958","966","10.1021/ic011106d","","","0.71073","MoKα","","0.073","0.0427","","","0.0771","0.0856","","","","","","0.925","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317955","23.777","0.003","23.961","0.003","11.985","0.002","90","","90","","90","","6828.1","1.7","168","2","168","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Sn6(O)4(ONep)4","","","- C20 H44 O8 Sn6 -","- C20 H44 O8 Sn6 -","- C160 H352 O64 Sn48 -","8","2","","Timothy J. Boyle; Todd M. Alam; Mark A. Rodriguez; Cecilia A. Zechmann","Hydrolysis of Tin(II) Neo-pentoxide: Syntheses, Characterization, and X-ray Structures of [Sn(ONep)2]\ιnfty, Sn5(μ3-O)2(μ-ONep)6, and Sn6(μ3-O)4(μ-ONep)4 Where ONep = OCH2CMe3","Inorganic Chemistry","2002","41","","2574","2582","10.1021/ic011247f","","","0.71073","MoKα","","0.0255","0.0228","","","0.0549","0.0561","","","","","","1.019","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4319210","14.588","0.002","19.945","0.003","10.3753","0.0009","90","","90","","90","","3018.8","0.7","213","2","213","2","","","","","","","synthesis","7","P 21 21 2","P 2 2ab","18","","","","- C50 H54 Cl6 Cu6 Mo2 N16 O3 -","- C50 H36 Cl6 Cu6 Mo2 N16 O3 -","- C100 H72 Cl12 Cu12 Mo4 N32 O6 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Dinuclear and Heteropolynuclear Complexes Containing Mo24+ Units","Inorganic Chemistry","2001","40","","420","426","10.1021/ic001002n","","","0.71073","MoKα","","0.0454","0.0432","","0.1277","0.1222","","","","1.078","1.073","1.073","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00",""
"4319347","21.9908","0.0015","13.937","0.002","17.5586","0.001","90","","90","","90","","5381.5","0.9","178","2","178","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H79 Al5 N10 Si8 -","- C28 H79 Al5 N10 Si8 -","- C112 H316 Al20 N40 Si32 -","4","1","","Ulrike Fooken; Masood A. Khan; Rudolf. J. Wehmschulte","Novel Aluminum Hydride Derivatives from the Reaction of H~3~Al.NMe~3~ with the Cyclosilazanes [Me~2~SiNH]~3~ and [Me~2~SiNH]~4~","Inorganic Chemistry","2001","40","","1316","1322","10.1021/ic000636r","","","0.71073","MoKα","","0.0568","0.0418","","0.1122","0.0971","","","","1.027","1.038","1.038","","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319464","15.6105","0.0005","32.7813","0.0011","11.6641","0.0004","90","","90","","90","","5968.9","0.3","188","2","188","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","[Fe2(BBBAN)(OAc)2(OTf)](OTf)","","","- C52 H53 F6 Fe2 N9 O10 S2 -","- C52 H50 F6 Fe2 N9 O10 S2 -","- C208 H200 F24 Fe8 N36 O40 S8 -","4","1","","Chuan He; Stephen J. Lippard","Synthesis and Electrochemical Studies of Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands to Model Features of the Active Sites of Non-Heme Diiron Enzymes","Inorganic Chemistry","2001","40","","1414","1420","10.1021/ic000975k","","","0.71073","MoKα","","0.0753","0.0631","","","0.17","0.176","","","","","","1.329","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319501","22.328","0.005","44.099","0.009","12.287","0.003","90","","90","","90","","12098","5","93","2","93","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H109 N3 O11.5 Se V3 -","- C48 H108 N3 O11.5 Se V3 -","- C384 H864 N24 O92 Se8 V24 -","8","2","","H. Nakano; T. Ozeki; A. Yagasaki","Synthesis and Structural Characterization of a New Series of Vanadoselenites, [SexV4-xO12-x](4-x)- (x = 1, 2)","Inorganic Chemistry","2001","40","","1816","1819","10.1021/ic0010508","","","0.71073","MoKα","","0.1805","0.121","","","0.3239","0.3575","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319979","11.8931","0.0005","8.4428","0.0011","9.6761","0.0004","90","","90","","90","","971.59","0.14","180.2","","180.2","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H16 Co K3 N2 O12 P -","- C10 H16 Co0.5 K2.5 N2 O12 P0.5 -","- C20 H32 Co K5 N4 O24 P -","2","0.5","","Liang Xu; Steven J. Rettig; Chris Orvig","Lanthanide Chemistry with Bis{[bis(carboxymethyl)amino]methyl}phosphinate: What Does an Extra Phosphinate Group Do to EDTA?","Inorganic Chemistry","2001","40","","3734","3738","10.1021/ic0014179","","","0.7107","MoKα","","0.0356","0.019","","0.0399","","0.019","","","0.993","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320393","12.677","0.003","14.211","0.002","7.945","0.002","90","","90","","90","","1431.3","0.5","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Bis-(-)-pinene-[5,6]-bipyridine cobalt(II) di chloride","","","- C29 H40 Cl2 Co N2 -","- C29 H28 Cl2 Co N2 -","- C58 H56 Cl4 Co2 N4 -","2","0.5","","Didier Lötscher; Stefan Rupprecht; Philippe Collomb; Peter Belser; Heiko Viebrock; Alex von Zelewsky; Peter Burger","Stereoselective Synthesis of Chiral Pinene[5,6]bipyridine Ligands and Their Coordination Chemistry","Inorganic Chemistry","2001","40","","5675","5681","10.1021/ic010411w","","","0.71073","MoKα","","0.0777","0.0707","","0.1933","0.1862","","","","1.216","1.214","1.214","","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4321009","11.42","0.002","41.398","0.006","8.036","0.003","90","","90","","90","","3799.1","1.7","296.2","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C40 H32 K Ni4 O8 S40 -","- C40 K Ni4 O8 S40 -","- C80 K2 Ni8 O16 S80 -","2","0.5","","Tomoyuki Akutagawa; Tatsuo Hasegawa; Takayoshi Nakamura; Sadamu Takeda; Tamotsu Inabe; Ken-ichi Sugiura; Yoshiteru Sakata; Allan E. Underhill","M+(12-crown-4) Supramolecular Cations (M+= Na+, K+, Rb+, and NH4+) within Ni(2-thioxo-1,3-dithiole-4,5-dithiolate)2 Molecular Conductor","Inorganic Chemistry","2000","39","","2645","2651","10.1021/ic000104a","","","0.7107","MoKα","","","0.0426","","","0.0388","","","","1.924","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321010","11.548","0.004","41.604","0.007","7.939","0.006","90","","90","","90","","3814","3","296.2","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C40 H32 Ni4 O8 Rb S40 -","- C40 Ni4 O8 Rb S40 -","- C80 Ni8 O16 Rb2 S80 -","2","0.5","","Tomoyuki Akutagawa; Tatsuo Hasegawa; Takayoshi Nakamura; Sadamu Takeda; Tamotsu Inabe; Ken-ichi Sugiura; Yoshiteru Sakata; Allan E. Underhill","M+(12-crown-4) Supramolecular Cations (M+= Na+, K+, Rb+, and NH4+) within Ni(2-thioxo-1,3-dithiole-4,5-dithiolate)2 Molecular Conductor","Inorganic Chemistry","2000","39","","2645","2651","10.1021/ic000104a","","","0.7107","MoKα","","","0.0789","","","0.0451","","","","1.703","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321759","18.727","0.004","10.5","0.002","4.2192","0.0008","89.98","0.01","90.01","0.02","90.02","0.01","829.6","0.3","296.2","","296.2","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H11 Na O2 S2 -","- C8 H7 Na0.355 S2 -","- C32 H28 Na1.42 S8 -","4","1","","Shinzi Kato; Nobuyuki Kitaoka; Osamu Niyomura; Yuka Kitoh; Takahiro Kanda; Masahiro Ebihara","Heavy Alkali Metal Arenedithiocarboxylates: A Facile Synthesis, Dimeric Structure, and Nonbonding Interaction between the Metals and Aromatic Ring Carbons","Inorganic Chemistry","1999","38","","496","506","10.1021/ic9808089","","","0.7107","MoKα","","0","0","","","0","0.0664","","","","","","2.705","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321853","17.528","0.004","18.192","0.004","8.169","0.002","90","","90","","90","","2604.8","1","110","","110","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C45 H48 F20 Ga Mn O P4 -","- C45 H42 F20 Ga Mn O P4 -","- C90 H84 F40 Ga2 Mn2 O2 P8 -","2","0.5","","Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas","Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands","Inorganic Chemistry","1999","38","","1069","1084","10.1021/ic981263l","","","0.71073","MoKα","","0.1142","0.0748","","0.1624","0.1463","","","","1.089","1.202","1.202","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4322218","16.1891","0.0008","21.6791","0.0011","11.9781","0.0006","90","","90","","90","","4203.9","0.4","193","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C90 H114 N14 Ni O10 -","- C87 H100 N13 Ni O9 -","- C174 H200 N26 Ni2 O18 -","2","0.5","","Céline Pérollier; Jacques Pécaut; René Ramasseul; Jean-Claude Marchon","Asymmetric Epoxidation of 1,2-Dihydronaphthalene Catalyzed by Manganese Chiroporphyrins: Stereoinduction Directed by Steric Exclusion","Inorganic Chemistry","1999","38","","3758","3759","10.1021/ic990295l","","","0.71073","MoKα","","0.0863","0.0558","","","0.1417","0.1578","","","","","","1.112","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4323443","12.211","0.003","10.107","0.003","11.514","0.003","90","0.003","90","0.003","90","0.003","1421","0.7","122","0.5","122","0.5","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H22 Co N5 O6 S2 -","- C5 H22 Co N5 O6 S2 -","- C20 H88 Co4 N20 O24 S8 -","4","1","","Pauli Kofod; Pernille Harris; Sine Larsen","NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH3)5(CH3)]S2O6, trans-[Co(en)2(NH3)(CH3)]S2O6 (en = 1,2-Ethanediamine), and [Co(NH3)6]-mer,trans-[Co(NO2)3(NH3)2(CH3)]2-trans-[Co(NO2)4(NH3)2]","Inorganic Chemistry","1997","36","","2258","2266","10.1021/ic961264i","","","0.71073","MoKα","","0.0179","0.0173","","0.0501","0.05","","","","1.565","1.58","1.58","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4324070","14.1","0.002","19.002","0.001","9.145","0.002","90","","90","","90","","2450.2","0.7","293.2","","293.2","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C48 H42 B2 F8 N2 O2 P4 Pt -","- C48 H42 B2 F8 N2 O2 P4 Pt -","- C96 H84 B4 F16 N4 O4 P8 Pt2 -","2","0.5","","Pravat Bhattacharyya; Alexandra M. Z. Slawin; Martin B. Smith; J. Derek Woollins","Palladium(II) and Platinum(II) Complexes of the Heterodifunctional Ligand Ph2PNHP(O)Ph2","Inorganic Chemistry","1996","35","","3675","3682","10.1021/ic951247d","","","1.5418","CuKalpha","","","0.052","","","0.057","","","","","4.23","4.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324249","15.8873","0.0002","28.9709","0.0003","19.5813","0.0003","90","","90","","90","","9012.7","0.2","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H274 Ag7 B88 N11 Sn8 -","- C76 H274 Ag7 B88 N11 Sn8 -","- C152 H548 Ag14 B176 N22 Sn16 -","2","0.5","","Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann","Homoleptic Coinage Metal Compounds of Group(IV) heteroborates","Inorganic Chemistry","2011","50","","664","670","10.1021/ic102118n","","","0.71073","MoKα","","0.0516","0.0452","","","0.1157","0.1191","","","","","","1.08","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4325162","15.238","0.004","18.731","0.004","10.125","0.002","90","","90","","90","","2889.9","1.1","200","2","200","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C26 H31 F3 N5.5 O7 P0.5 Ru S -","- C26 H29 F3 N5.5 O7 P0.5 Ru S -","- C104 H116 F12 N22 O28 P2 Ru4 S4 -","4","1","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.0365","0.0317","","","0.0774","0.0788","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325247","14.507","0.003","17.395","0.003","4.7852","0.0008","90","","90","","90","","1207.5","0.4","173","2","173","2","","","101","","","","","6","P 21 21 2","P 2 2ab","18","CH3/CF3 TTA-Cl","3-trifluoromethyl-5-(4-tolyl)-1-thia-2,4,6-triazine","","- C10 H7 Cl F3 N3 S -","- C10 H7 Cl F3 N3 S -","- C40 H28 Cl4 F12 N12 S4 -","4","1","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.055","0.0379","","","0.0965","0.1026","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325263","13.6152","0.0008","15.1169","0.001","12.6036","0.0008","90","","90","","90","","2594.1","0.3","293","2","293","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Br F6 Mo N5 O P -","- C20 H26 Br F6 Mo N5 O P -","- C80 H104 Br4 F24 Mo4 N20 O4 P4 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0594","0.0479","","","0.1158","0.1291","","","","","","1.079","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325465","21.05493","0.00013","16.1139","0.0001","11.55863","0.00008","90","","90","","90","","3921.58","0.04","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C43 H35 Cl3 Fe N6 O2 -","- C43 H35 Cl3 Fe N6 O2 -","- C172 H140 Cl12 Fe4 N24 O8 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","1.54184","CuKα","","0.0319","0.029","","","0.0775","0.0784","","","","","","1.08","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325904","24.619","0.004","35.302","0.006","14.764","0.003","90","0.006","90","0.007","90","0.008","12831","4","158","2","158","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C90 H130 Cu10 Eu2 N24 O48 -","- C90 H100 Cu10 Eu2 N24 O48.75 -","- C360 H400 Cu40 Eu8 N96 O195 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0925","0.0663","","","0.1807","0.204","","","","","","1.082","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325905","24.625","0.003","35.222","0.005","14.733","0.002","90","","90","","90","","12779","3","158","2","158","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C91 H130 Cu10 N24 O47 Tb2 -","- C91 H103 Cu10 N23.75 O45.75 Tb2 -","- C364 H412 Cu40 N95 O183 Tb8 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0929","0.0679","","","0.1726","0.1957","","","","","","1.063","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325906","24.632","0.004","35.158","0.007","14.721","0.002","90","","90","","90","","12749","4","118","2","118","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C90 H121 Cu10 Dy2 N25 O46 -","- C90 H101 Cu10 Dy2 N24.25 O44 -","- C360 H404 Cu40 Dy8 N97 O176 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0773","0.0573","","","0.1476","0.1616","","","","","","1.054","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325907","24.518","0.007","35.119","0.009","14.606","0.004","90","","90","","90","","12576","6","158","2","158","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C90 H100 Cu10 Ho2 N26 O38 -","- C91.5 H100 Cu10 Ho2 N23.25 O44.75 -","- C366 H400 Cu40 Ho8 N93 O179 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0891","0.0775","","","0.1884","0.1974","","","","","","1.074","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326588","12.0881","0.0008","24.2781","0.0015","9.4344","0.0004","90","","90","","90","","2768.8","0.3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C56 H54 F6 N4 O7 Pt2 S4 -","- C56 H54 F6 N4 O7 Pt2 S4 -","- C112 H108 F12 N8 O14 Pt4 S8 -","2","0.5","","Runyu Tan; Datong Song","Interconversion between the Enantiomers of Chiral Five-Coordinate Me3Pt(IV) Complexes","Inorganic Chemistry","2011","50","","10614","10622","10.1021/ic200889y","","","0.71073","MoKα","","0.0526","0.0388","","","0.087","0.1005","","","","","","1.039","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4327960","12.6124","0.0007","24.0235","0.0009","12.753","0.0004","90","","90","","90","","3864.1","0.3","120","2","120","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C78 H116 Na2 O6 S2 Si2 -","- C78 H116 Na2 O6 S2 Si2 -","- C156 H232 Na4 O12 S4 Si4 -","2","0.5","","Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret","Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts","Inorganic Chemistry","2012","51","","836","843","10.1021/ic2013073","","x-ray","0.71073","MoKα","","0.0471","0.0409","","","0.104","0.1067","","","","","","1.013","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4328113","12.4243","0.0005","18.9943","0.0007","10.4978","0.0005","90","","90","","90","","2477.39","0.18","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H48 La2 N32 O48 Zn8 -","- C64 H32 La2 N32 O48 Zn8 -","- C64 H32 La2 N32 O48 Zn8 -","1","0.25","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0761","0.0667","","","0.1412","0.146","","","","","","1.124","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328114","12.3868","0.0002","18.8433","0.0003","10.6414","0.0002","90","","90","","90","","2483.79","0.07","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H37 N16 O24 Pr Zn4 -","- C32 H16 N16 O24 Pr Zn4 -","- C64 H32 N32 O48 Pr2 Zn8 -","2","0.5","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0653","0.0473","","","0.0975","0.1077","","","","","","1.039","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328115","12.303","0.0004","18.5769","0.0007","10.6212","0.0004","90","","90","","90","","2427.49","0.15","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H74 Eu2 N32 O48 Zn8 -","- C64 H32 Eu2 N32 O48 Zn8 -","- C64 H32 Eu2 N32 O48 Zn8 -","1","0.25","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0734","0.0537","","","0.0966","0.1064","","","","","","1.007","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328116","12.2981","0.0002","18.5449","0.0003","10.6409","0.0002","90","","90","","90","","2426.84","0.07","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H74 Gd2 N32 O48 Zn8 -","- C64 H32 Gd2 N32 O48 Zn8 -","- C64 H32 Gd2 N32 O48 Zn8 -","1","0.25","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.062","0.0467","","","0.0917","0.0995","","","","","","1.046","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328117","12.3365","0.0001","18.4776","0.0002","10.6822","0.0001","90","","90","","90","","2435","0.04","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H37 N16 O24 Tb Zn4 -","- C32 H16 N16 O24 Tb Zn4 -","- C64 H32 N32 O48 Tb2 Zn8 -","2","0.5","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0354","0.0303","","","0.0782","0.0824","","","","","","1.057","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328308","15.729","0.002","25.025","0.003","9.1759","0.0012","90","","90","","90","","3611.8","0.8","291","2","291","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","1","0.25","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0802","0.0585","","","0.1031","0.1071","","","","","","1.07","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328309","15.708","0.003","25.004","0.005","9.1688","0.0018","90","","90","","90","","3601.2","1.2","291","2","291","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","1","0.25","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0764","0.0601","","","0.1121","0.1156","","","","","","1.073","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4329218","26.992","0.008","21.207","0.005","22.203","0.006","90","","90","","90","","12709","6","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C168 H180 N12 O24 Ru6 -","- C168 H180 N12 O24 Ru6 -","- C336 H360 N24 O48 Ru12 -","2","0.5","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.0977","0.0678","","","0.1765","0.1975","","","","","","1.074","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329297","18.2754","0.0009","21.5067","0.001","11.2998","0.0006","90","","90","","90","","4441.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42.5 H37.5 Cl4 N8.5 O3 Pt2 -","- C42.5 H37.5 Cl4 N8.5 O3 Pt2 -","- C170 H150 Cl16 N34 O12 Pt8 -","4","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0291","0.0243","","","0.0502","0.052","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329772","14.357","0.006","30.538","0.013","9.42","0.004","90","","90","","90","","4130","3","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H42 K1.5 N6.5 O34 P4 V5 -","- C10 H12 K1.5 N6.5 O31 P4 V5 -","- C40 H48 K6 N26 O124 P16 V20 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.1041","0.0595","","","0.1533","0.1781","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330094","15.884","0.002","22.297","0.003","9.8714","0.0013","90","","90","","90","","3496.1","0.8","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","04349","","","- C28 H58 Co K O6.5 P2 -","- C28 H58 Co K O6.5 P2 -","- C112 H232 Co4 K4 O26 P8 -","4","1","","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","","0.0657","0.0429","","","0.0926","0.1037","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330256","9.7137","0.0006","26.8338","0.0019","7.4613","0.0005","90","","90","","90","","1944.8","0.2","103","","103","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C16 H27 B Cu F4 N4 O2 -","- C16 H27 B Cu F4 N4 O2 -","- C64 H108 B4 Cu4 F16 N16 O8 -","4","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0538","","","","0.133","","","","","","1.163","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330707","14.411","0.003","12.674","0.002","10.539","0.002","90","","90","","90","","1924.9","0.6","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H20 N2 O16 Se4 V2 -","- C5 H20 N2 O16 Se4 V2 -","- C20 H80 N8 O64 Se16 V8 -","4","1","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0281","0.0253","","0.0634","0.0616","0.0604","","","","","","1.0068","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330711","14.419","0.002","12.682","0.002","10.5365","0.0017","90","","90","","90","","1926.7","0.5","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H20 N2 O16 Se4 V2 -","- C5 H20 N2 O16 Se4 V2 -","- C20 H80 N8 O64 Se16 V8 -","4","1","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0267","0.0246","","0.0665","0.0654","0.0642","","","","","","1.0053","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4331362","17.39","0.005","23.311","0.007","11.32","0.003","90","","90","","90","","4589","2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C88 H134 Li2 O10 -","- C88 H134 Li2 O10 -","- C176 H268 Li4 O20 -","2","0.5","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.1788","0.0774","","","0.1639","0.2167","","","","","","0.92","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331363","17.406","0.013","23.338","0.017","11.34","0.008","90","","90","","90","","4607","6","566","2","566","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C88 H134 Li4 O10 -","- C88 H134 Li4 O10 -","- C176 H268 Li8 O20 -","2","0.5","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.2289","0.0784","","","0.098","0.1286","","","","","","1.025","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331703","13.2352","0.0009","11.0135","0.0009","13.1525","0.0012","90","","90","","90","","1917.2","0.3","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C37 H34 Cl2 F6 N2 O P3 Rh -","- C37 H34 Cl2 F6 N2 O P3 Rh -","- C74 H68 Cl4 F12 N4 O2 P6 Rh2 -","2","0.5","","Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej","Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand","Inorganic Chemistry","2006","45","8","3369","3377","10.1021/ic051442k","","","0.71073","MoKα","","0.0377","0.0342","","","0.0749","0.0762","","","","","","1.082","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4332175","11.2835","0.0015","35.311","0.006","4.2007","0.0008","90","","90","","90","","1673.7","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H10 N S7 -","- C14 H10 N S7 -","- C56 H40 N4 S28 -","4","1","","Jia, Chunyang; Liu, Shi-Xia; Ambrus, Christina; Neels, Antonia; Labat, Gaël; Decurtins, Silvio","One-Dimensionalμ-Chloromanganese(II)−Tetrathiafulvalene (TTF) Coordination Compound","Inorganic Chemistry","2006","45","8","3152","3154","10.1021/ic060056f","","","0.71073","MoKα","","0.1307","0.0581","","","0.0959","0.1099","","","","","","0.75","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332872","7.0909","0.0005","11.2334","0.0008","6.7846","0.0005","90","","90","","90","","540.43","0.07","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Cl4 Cs O4 Pu -","- Cl4 Cs O4 Pu -","- Cl8 Cs2 O8 Pu2 -","2","0.5","","Wilson, Richard E.; Almond, Philip M.; Burns, Peter C.; Soderholm, L.","The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution","Inorganic Chemistry","2006","45","21","8483","8485","10.1021/ic060979a","","","0.71073","MoKα","","0.025","0.0208","","","0.043","0.0444","","","","","","1.062","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4333201","16.921","0.003","34.176","0.006","8.4534","0.0015","90","","90","","90","","4888.5","1.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H64 Cu2 F12 N8 P2 -","- C44 H64 Cu2 F12 N8 P2 -","- C176 H256 Cu8 F48 N32 P8 -","4","1","","Company, Anna; Güell, Mireia; Popa, Dana; Benet-Buchholz, Jordi; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni; Solà, Miquel; Ribas, Xavi; Luis, Josep M.; Costas, Miquel","Redox-Controlled Molecular Flipper Based on a Chiral Cu Complex","Inorganic Chemistry","2006","45","24","9643","9645","10.1021/ic0618549","","","0.71073","MoKα","","0.0563","0.0415","","","0.1013","0.108","","","","","","1.065","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333229","17.5","0.004","10.578","0.002","13.384","0.003","90","","90","","90","","2477.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H32 N5 O5 Re S -","- C20 H26 N5 O5 Re S -","- C80 H104 N20 O20 Re4 S4 -","4","1","","Cantorias, Melchor V.; Howell, Robertha C.; Todaro, Louis; Cyr, John E.; Berndorff, Dietmar; Rogers, Robin D.; Francesconi, Lynn C.","MO tripeptide diastereomers (M=99/99mTc, Re): models to identify the structure of 99mTc peptide targeted radiopharmaceuticals.","Inorganic chemistry","2007","46","18","7326","7340","10.1021/ic070077p","","","0.71073","MoKα","","0.0345","0.0272","","","0.0492","0.0512","","","","","","1.054","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4334726","31.3403","0.0007","8.0896","0.0002","11.1323","0.0003","90","","90","","90","","2822.38","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H51 N6 Ni1.5 O3 -","- C24 H45 N6 Ni1.5 O3 -","- C96 H180 N24 Ni6 O12 -","4","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0264","0.0244","","","0.0704","0.0736","","","","","","0.487","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334727","31.287","0.002","8.1317","0.0006","11.1558","0.0008","90","","90","","90","","2838.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H30 Co N4 O2 -","- C16 H30 Co N4 O2 -","- C96 H180 Co6 N24 O12 -","6","1.5","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0357","0.0298","","","0.0687","0.071","","","","","","1.047","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4336652","21.254","0.0003","29.8262","0.0004","18.3767","0.0002","90","","90","","90","","11649.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C200 H199 Cl4 Mn12 N24 O56 -","- C108 H96 Mn12 N24 O40 -","- C216 H192 Mn24 N48 O80 -","2","0.5","","Andrew M. Mowson; Tu N. Nguyen; Khalil A. Abboud; George Christou","Dimeric and Tetrameric Supramolecular Aggregates of Single-Molecule Magnets via Carboxylate Substitution","Inorganic Chemistry","2013","52","","12320","12322","10.1021/ic402155h","","","1.54178","CuKα","","0.0507","0.0428","","","0.1271","0.1325","","","","","","0.939","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4337046","20.5318","0.0005","11.5885","0.0002","16.7656","0.0004","90","","90","","90","","3989.09","0.15","200","2","200","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C60 H96 Au3 Cl N2 O21 P4 S2 Zn -","- C60 H96 Au3 Cl N2 O21 P4 S2 Zn -","- C120 H192 Au6 Cl2 N4 O42 P8 S4 Zn2 -","2","0.5","","Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno","Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate","Inorganic Chemistry","2013","52","","14368","14375","10.1021/ic4024629","","","0.71075","MoKα","","0.035","0.0313","","","0.0739","0.0758","","","","","","1.081","","","","has coordinates,has disorder","188980","2020-10-21","18:00:00",""
"4338015","18.4017","0.0008","32.334","0.002","11.8948","0.0005","90","","90","","90","","7077.4","0.6","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C134 H134 Cu7 N24 O8 -","- C134 H124 Cu7 N24 O8 -","- C268 H248 Cu14 N48 O16 -","2","0.5","","Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem","Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.","Inorganic chemistry","2014","53","7","3290","","10.1021/ic402647t","","","0.71073","MoKα","","0.1204","0.0946","","","0.2574","0.2823","","","","","","1.077","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338206","17.6532","0.0014","35.819","0.003","8.894","0.0007","90","","90","","90","","5623.9","0.8","183","2","183","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H36 F6 Fe N4 P3 -","- C23 H36 F6 Fe N4 P3 -","- C184 H288 F48 Fe8 N32 P24 -","8","2","","Williams, Valerie A.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Lobkovsky, Emil B.; Cundari, Thomas R.","Iron Complexes Derived from {nacnac-(CH2py)2}(-) and {nacnac-(CH2py)(CHpy)}(n) Ligands: Stabilization of Iron(II) via Redox Noninnocence.","Inorganic chemistry","2014","53","9","4459","4474","10.1021/ic5001123","","","0.71073","MoKα","","0.0613","0.0437","","","0.0956","0.1039","","","","","","1.012","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338869","13.518","0.003","14.308","0.003","7.7796","0.0016","90","","90","","90","","1504.7","0.6","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H34 Ag2 N6 O7 S2 -","- C26 H32 Ag2 N6 O7 S2 -","- C52 H64 Ag4 N12 O14 S4 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71073","MoKα","","0.0472","0.0417","","","0.0975","0.0996","","","","","","1.075","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4339019","7.337","0.004","15.586","0.008","8.332","0.004","90","","90","","90","","952.8","0.8","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Mg(B3H8)2(Et2O)2","f79u","","- C8 H36 B6 Mg O2 -","- C8 H36 B6 Mg O2 -","- C16 H72 B12 Mg2 O4 -","2","0.5","","Kim, Do Young; Yang, Yu; Abelson, John R.; Girolami, Gregory S.","Volatile magnesium octahydrotriborate complexes as potential CVD precursors to MgB2. Synthesis and characterization of Mg(B3H8)2 and its etherates.","Inorganic chemistry","2007","46","22","9060","9066","10.1021/ic701037t","","x-ray","0.71073","MoKα","","0.0776","0.0726","","","0.1557","0.1579","","","","","","1.225","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339056","10.4058","0.0005","16.2488","0.0008","9.95","0.0005","90","","90","","90","","1682.36","0.14","143","1","143","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C29 H30 Cl4 N6 Pd2 S2 -","- C29 H30 Cl4 N6 Pd2 S2 -","- C58 H60 Cl8 N12 Pd4 S4 -","2","0.5","","Nuricumbo-Escobar, Juan José; Campos-Alvarado, Carlos; Ríos-Moreno, Gustavo; Morales-Morales, David; Walsh, Patrick J.; Parra-Hake, Miguel","Binuclear palladium(I) and palladium(II) complexes of ortho-functionalized 1,3-bis(aryl)triazenido ligands.","Inorganic chemistry","2007","46","15","6182","6189","10.1021/ic700516p","","","0.71069","MoKα","","0.0462","0.0424","","","0.1083","0.1129","","","","","","1.129","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4339178","18.306","0.004","8.926","0.002","9.71","0.002","90","","90","","90","","1586.6","0.6","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Bi K9 P4 S16 -","- Bi K9 P4 S16 -","- Bi2 K18 P8 S32 -","2","0.5","","Gave, Matthew A.; Weliky, David P.; Kanatzidis, Mercouri G.","New potassium bismuth thiophosphates including the modulated K(1.5)Bi(2.5)(PS4)(3).","Inorganic chemistry","2007","46","26","11063","11074","10.1021/ic701211a","","","0.71073","MoKα","","0.106","0.0578","","","0.089","0.1018","","","","","","1.021","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339388","25.1545","0.0018","25.3801","0.0017","13.7159","0.0009","90","","90","","90","","8756.6","1","173","2","173","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","[Fe2(O2CArTol)4(tBuSCH2py)]C6H5Cl1/4pentane","","","- C101.25 H91 Cl Fe2 N O8 S -","- C101.25 H91 Cl Fe2 N O8 S -","- C405 H364 Cl4 Fe8 N4 O32 S4 -","4","1","","Reisner, Erwin; Abikoff, Tanya C.; Lippard, Stephen J.","Influence of steric hindrance on the core geometry and sulfoxidation chemistry of carboxylate-rich diiron(II) complexes.","Inorganic chemistry","2007","46","24","10229","10240","10.1021/ic7014176","","","0.71073","MoKα","","0.0703","0.0597","","","0.152","0.1598","","","","","","1.094","","","","has coordinates,has disorder","179496","2020-10-21","18:00:00",""
"4339390","24.7949","0.0018","26.2886","0.0019","13.7704","0.001","90","","90","","90","","8975.9","1.1","173","2","173","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","[Fe2(O2CArTol)4(MesPhSCH2py)]","","","- C105 H90 Cl Fe2 N O8 S -","- C105 H90 Cl Fe2 N O8 S -","- C420 H360 Cl4 Fe8 N4 O32 S4 -","4","1","","Reisner, Erwin; Abikoff, Tanya C.; Lippard, Stephen J.","Influence of steric hindrance on the core geometry and sulfoxidation chemistry of carboxylate-rich diiron(II) complexes.","Inorganic chemistry","2007","46","24","10229","10240","10.1021/ic7014176","","","0.71073","MoKα","","0.0722","0.0538","","","0.1256","0.1367","","","","","","1.054","","","","has coordinates,has disorder","179496","2020-10-21","18:00:00",""
"4340046","19.5887","0.0005","22.7717","0.0016","10.1759","0.0003","90","","90","","90","","4539.1","0.4","85","2","85","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37.5 H45 Dy0.5 N9.5 O13.5 Zn2 -","- C37.5 H42 Dy0.5 N9.25 O12.75 Zn2 -","- C150 H168 Dy2 N37 O51 Zn8 -","4","1","","Jankolovits, Joseph; Kampf, Jeff W.; Pecoraro, Vincent L.","Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.","Inorganic chemistry","2014","53","14","7534","7546","10.1021/ic500832u","","","1.54178","CuKα","","0.0704","0.0662","","","0.1831","0.1865","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341593","12.4578","0.0011","31.036","0.003","12.3794","0.0011","90","","90","","90","","4786.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H66 Mo2 N4 O5 -","- C46 H66 Mo2 N4 O5 -","- C184 H264 Mo8 N16 O20 -","4","1","","Leppin, Jana; Förster, Christoph; Heinze, Katja","Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases.","Inorganic chemistry","2014","","","141113093953007","","10.1021/ic501751p","","","0.71073","MoKα","","0.201","0.0538","","","0.0593","0.081","","","","","","0.733","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341879","17.1747","0.0011","31.1089","0.0017","11.8402","0.0012","90","","90","","90","","6326.1","0.8","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C100 H108 Cl16 N8 O19 Pt3 -","- C100 H108 Cl16 N8 O19 Pt3 -","- C200 H216 Cl32 N16 O38 Pt6 -","2","0.5","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.054","0.0498","","","0.1231","0.1242","","","","","","1.073","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341880","19.4956","0.0015","21.2065","0.0017","11.5739","0.0009","90","","90","","90","","4785","0.6","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H102 Cl4 N8 O18 Pt3 -","- C96 H102 Cl4 N8 O18 Pt3 -","- C192 H204 Cl8 N16 O36 Pt6 -","2","0.5","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.0575","0.0494","","","0.1238","0.1272","","","","","","1.048","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341883","17.2735","0.0014","31.0196","0.0017","11.8157","0.0012","90","","90","","90","","6331.1","0.9","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C100 H108 Cl16 N8 O19 Pt3 -","- C100 H108 Cl16 N8 O19 Pt3 -","- C200 H216 Cl32 N16 O38 Pt6 -","2","0.5","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.048","0.0447","","","0.1143","0.1149","","","","","","1.016","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4342940","21.4282","0.0007","20.1985","0.0007","10.1981","0.0003","90","","90","","90","","4413.9","0.2","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C70 H96 Br4 N8 O18 P4 Zn4 -","- C70 H96 Br4 N8 O18 P4 Zn4 -","- C140 H192 Br8 N16 O36 P8 Zn8 -","2","0.5","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71073","MoKα","","0.0498","0.0336","","","0.0699","0.0714","","","","","","0.868","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4343165","17.655","0.007","21.733","0.008","5.626","0.002","90","","90","","90","","2158.7","1.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H21 N4 O6.5 Zn -","- C18 H21 N4 O6.5 Zn -","- C72 H84 N16 O26 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Wang, Yong; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Wu, Xintao","From Pair Quadruple- to Single-Stranded Helices to Lines in a Mixed Ligand System via Adjusting the N-Substituent of l-Glu.","Inorganic chemistry","2015","54","8","3951","3957","10.1021/acs.inorgchem.5b00130","","","0.71073","MoKα","","0.0502","0.0446","","","0.1364","0.1427","","","","","","1.084","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343341","29.042","0.003","30.75","0.005","9.4483","0.0017","90","","90","","90","","8438","2","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C129 H239.5 N30.5 Ni4 O46 -","- C62 H94 N14 Ni2 O12 -","- C248 H376 N56 Ni8 O48 -","4","1","","Ju, Ping; Jiang, Long; Lu, Tong-Bu","A Three-Dimensional Dynamic Metal-Organic Framework with Fourfold Interpenetrating Diamondoid Networks and Selective Adsorption Properties.","Inorganic chemistry","2015","54","13","6291","6295","10.1021/acs.inorgchem.5b00592","","","1.54178","CuKα","","0.1015","0.0952","","","0.2255","0.2463","","","","","","1.096","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344749","20.5454","0.0018","25.326","0.002","13.8827","0.0012","90","","90","","90","","7223.6","1.1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H77 Cl6 Eu4 N18 O50.5 -","- C30 H55 Cl5.8265 Eu4 N18 O50.498 -","- C120 H220 Cl23.306 Eu16 N72 O201.992 -","4","1","","Ansari, Seraj A.; Yang, Yanqiu; Zhang, Zhicheng; Gagnon, Kevin J.; Teat, Simon J.; Luo, Shunzhong; Rao, Linfeng","Complexation of Lanthanides with Glutaroimide-dioxime: Binding Strength and Coordination Modes.","Inorganic chemistry","2016","55","3","1315","1323","10.1021/acs.inorgchem.5b02653","","","0.7749","synchrotron","","0.0441","0.0382","","","0.0951","0.0983","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4345418","19.1847","0.0008","23.868","0.0011","6.4934","0.0002","90","","90","","90","","2973.3","0.2","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H34 Cu N2 O13 U -","- C26 H30 Cu N2 O13 U -","- C104 H120 Cu4 N8 O52 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0403","0.0326","","","0.0609","0.0625","","","","","","1.049","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4346451","21.9339","0.0006","20.4623","0.0004","20.0974","0.0005","90","","90","","90","","9020.1","0.4","153","4","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C83 H76 N9 O17 Re4 -","- C83 H74 N9 O17 Re4 -","- C332 H296 N36 O68 Re16 -","4","1","","Govindarajan, R.; Nagarajaprakash, R.; Manimaran, Bala","Synthesis, Structural Characterization, and Host-Guest Studies of Aminoquinonato-Bridged Re(I) Supramolecular Rectangles.","Inorganic chemistry","2015","54","22","10686","10694","10.1021/acs.inorgchem.5b01543","","","0.71073","MoKα","","0.0677","0.0494","","","0.1139","0.1228","","","","","","1.003","","","","has coordinates,has disorder","231783","2020-10-21","18:00:00",""
"4346465","21.721","0.006","22.37","0.006","16.448","0.004","90","","90","","90","","7992","4","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H48 O12 Pd6 S12 -","- C48 H48 O12 Pd6 S12 -","- C192 H192 O48 Pd24 S48 -","4","1","","Wrixon, Justin D.; Hayward, John J.; Rawson, Jeremy M.","Phosphine control of the oxidative addition chemistry of tetrathiocins to palladium(0): characterization of mono-, di-, and hexanuclear palladium(II) dithiolate complexes.","Inorganic chemistry","2015","54","19","9384","9386","10.1021/acs.inorgchem.5b01555","","","0.71073","MoKα","","0.0339","0.031","","","0.0852","0.0871","","","","","","1.04","","","","has coordinates","231788","2020-10-21","18:00:00",""
"4346466","16.9591","0.0017","20.351","0.002","8.4374","0.0008","90","","90","","90","","2912","0.5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C55 H52 Cl6 O4 P2 Pd2 S4 -","- C54.5 H52 Cl6 O4 P2 Pd2 S4 -","- C109 H104 Cl12 O8 P4 Pd4 S8 -","2","0.5","","Wrixon, Justin D.; Hayward, John J.; Rawson, Jeremy M.","Phosphine control of the oxidative addition chemistry of tetrathiocins to palladium(0): characterization of mono-, di-, and hexanuclear palladium(II) dithiolate complexes.","Inorganic chemistry","2015","54","19","9384","9386","10.1021/acs.inorgchem.5b01555","","","0.71073","MoKα","","0.0201","0.0197","","","0.0489","0.0491","","","","","","1.061","","","","has coordinates,has disorder","231789","2020-10-21","18:00:00",""
"4346968","9.5888","0.0004","14.2461","0.0007","12.1046","0.0006","90","","90","","90","","1653.52","0.13","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H48 Cl2 Fe N6 Pd -","- C32 H48 Cl2 Fe N6 Pd -","- C64 H96 Cl4 Fe2 N12 Pd2 -","2","0.5","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKα","","0.0319","0.0312","","","0.0822","0.0828","","","","","","1.045","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4347294","5.4246","0.0003","10.0714","0.0005","10.7447","0.0006","90","","90","","90","","587.02","0.05","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Cl N4 Pt -","- C8 H14 Cl N4 Pt -","- C16 H28 Cl2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.018","0.0156","","","0.0396","0.0402","","","","","","1.115","","","","has coordinates","232249","2020-10-21","18:00:00",""
"4347298","5.7631","0.0004","9.9725","0.0007","10.7081","0.0008","90","","90","","90","","615.42","0.08","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 I N4 Pt -","- C8 H14 I N4 Pt -","- C16 H28 I2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0108","0.0105","","","0.0268","0.0269","","","","","","1.02","","","","has coordinates","232253","2020-10-21","18:00:00",""
"4347299","5.5648","0.0011","9.958","0.002","10.755","0.002","90","","90","","90","","596","0.2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Br N4 Pt -","- C8 H14 Br N4 Pt -","- C16 H28 Br2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0136","0.0118","","","0.0295","0.0301","","","","","","1.094","","","","has coordinates","232254","2020-10-21","18:00:00",""
"4347597","9.5554","0.0003","25.465","0.0009","5.6861","0.0001","90","","90","","90","","1383.59","0.07","133","2","133.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C34 H22 Br2 Co N2 O2 -","- C34 H22 Br2 Co N2 O2 -","- C68 H44 Br4 Co2 N4 O4 -","2","0.5","","Ziegenbalg, Sven; Hornig, David; Görls, Helmar; Plass, Winfried","Cobalt(II)-Based Single-Ion Magnets with Distorted Pseudotetrahedral [N2O2] Coordination: Experimental and Theoretical Investigations.","Inorganic chemistry","2016","55","8","4047","4058","10.1021/acs.inorgchem.6b00373","","","0.71073","MoKα","","0.0268","0.0246","","","0.0521","0.0534","","","","","","1.119","","","","has coordinates","232398","2020-10-21","18:00:00",""
"4347631","11.0948","0.0006","21.2245","0.0012","9.3176","0.0005","90","","90","","90","","2194.1","0.2","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Dy F6 O20 P7 -","- C22 H46 Co2 Dy F6 O20 P7 -","- C44 H92 Co4 Dy2 F12 O40 P14 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.0521","0.0488","","","0.1335","0.1366","","","","","","1.06","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347632","11.027","0.008","21.187","0.011","9.303","0.007","90","","90","","90","","2173","3","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 F6 O20 P7 Y -","- C22 H46 Co2 F6 O20 P7 Y -","- C44 H92 Co4 F12 O40 P14 Y2 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1814","0.0825","","","0.1453","0.1907","","","","","","0.935","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347633","11.036","0.002","21.151","0.004","9.2922","0.0015","90","","90","","90","","2169","0.7","296","2","296","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Dy0.02 F6 O20 P7 Y0.98 -","- C22 H46 Co2 Dy0.02 F6 O20 P7 Y0.98 -","- C44 H92 Co4 Dy0.04 F12 O40 P14 Y1.96 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1033","0.0558","","","0.1061","0.1232","","","","","","0.953","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347876","17.1278","0.0004","15.5508","0.0004","10.8341","0.0003","90","","90","","90","","2885.67","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C71 H62 N8 Zn3 -","- C71 H62 N8 Zn3 -","- C142 H124 N16 Zn6 -","2","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.0568","0.0448","","","0.0715","0.0775","","","","","","1.048","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4348237","21.9728","0.0011","8.404","0.0004","11.703","0.0006","90","","90","","90","","2161.07","0.19","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Cd2 N4 O15 -","- C28 H22 Cd2 N4 O15 -","- C56 H44 Cd4 N8 O30 -","2","0.5","","Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Sanda, Suresh; Konar, Sanjit","Synthesis, characterisation, water adsorption and proton conductivity of three Cd(ii) based luminescent metal‒organic frameworks","Inorg. Chem. Front.","2014","1","8","611","","10.1039/C4QI00077C","","","0.71073","MoKα","","0.0472","0.0453","","","0.1388","0.1404","","","","","","1.118","","","","has coordinates","232839","2020-10-21","18:00:00",""
"4348238","21.9953","0.0012","8.4064","0.0005","11.7118","0.0007","90","","90","","90","","2165.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Cd2 N4 O15 -","- C28 H22 Cd2 N4 O15 -","- C56 H44 Cd4 N8 O30 -","2","0.5","","Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Sanda, Suresh; Konar, Sanjit","Synthesis, characterisation, water adsorption and proton conductivity of three Cd(ii) based luminescent metal‒organic frameworks","Inorg. Chem. Front.","2014","1","8","611","","10.1039/C4QI00077C","","","0.71073","MoKα","","0.0446","0.0422","","","0.1296","0.1318","","","","","","1.038","","","","has coordinates","232839","2020-10-21","18:00:00",""
"4348463","16.9904","0.0008","28.4675","0.0013","11.4762","0.0005","90","","90","","90","","5550.7","0.4","120","","120","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C50.75 H45 Cl5.5 F4 Ir N3 O6 S2 -","- C50.75 H45 Cl5.5 F4 Ir N3 O6 S2 -","- C203 H180 Cl22 F16 Ir4 N12 O24 S8 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0561","0.0412","","","0.0868","0.0915","","","","","","1.067","","","","has coordinates,has disorder","232965","2020-10-21","18:00:00",""
"4348795","19.697","0.0013","8.7362","0.0006","12.3963","0.0008","90","","90","","90","","2133.1","0.2","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20.83 Cu F6 N5 Sb -","- C17 H20.83 Cu F6 N5 Sb -","- C68 H83.32 Cu4 F24 N20 Sb4 -","4","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0225","0.021","","","0.0457","0.0464","","","","","","1.047","","","","has coordinates,has disorder","233353","2020-10-21","18:00:00",""
"4349141","20.5182","0.0004","28.0492","0.0007","10.3766","0.0002","90","","90","","90","","5971.9","0.2","153","","153","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C57 H60 Cl2 N10 O15 Zn2 -","- C57 H60 Cl2 N10 O15 Zn2 -","- C228 H240 Cl8 N40 O60 Zn8 -","4","1","","Mikata, Yuji; Ohnishi, Risa; Nishijima, Risa; Konno, Hideo","Fluorescent Detection of Phosphate Ion via a Tetranuclear Zinc Complex Supported by a Tetrakisquinoline Ligand and μ<sub>4</sub>-PO<sub>4</sub> Core.","Inorganic chemistry","2016","55","21","11440","11446","10.1021/acs.inorgchem.6b01967","","","0.7107","MoKα","","","0.0497","","","","0.1268","","","","","","1.077","","","","has coordinates","233620","2020-10-21","18:00:00",""
"4349160","15.031","0.003","27.899","0.006","11.378","0.002","90","","90","","90","","4771.4","1.6","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C47 H38 Cu4 F6 N12 Na O5 P -","- C47 H38 Cu4 F6 N12 Na O5 P -","- C188 H152 Cu16 F24 N48 Na4 O20 P4 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0906","0.0615","","","0.1201","0.1359","","","","","","0.996","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349334","17.0436","0.0016","16.876","0.0016","9.3311","0.0009","90","","90","","90","","2683.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C46 H104 Al2 Mg2 N8 O -","- C46 H104 Al2 Mg2 N8 O -","- C92 H208 Al4 Mg4 N16 O2 -","2","0.5","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.0433","0.0382","","","0.0906","0.0934","","","","","","1.163","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349406","26.0999","0.0003","25.8868","0.0003","10.92456","0.00009","90","","90","","90","","7381.1","0.13","99.98","0.13","99.98","0.13","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C66 H77.5 Ag F3 N4.5 O6 P8 S5 -","- C66 H77.5 Ag F3 N4.5 O6 P8 S5 -","- C264 H310 Ag4 F12 N18 O24 P32 S20 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0607","0.0568","","","0.1497","0.1554","","","","","","1.027","","","","has coordinates,has disorder","233951","2020-10-21","18:00:00",""
"4349412","26.0999","0.0003","25.8868","0.0003","10.92456","0.00009","90","","90","","90","","7381.1","0.13","99.98","0.13","99.98","0.13","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C53 H52 Ag F3 N4 O3 P8 S5 -","- C53 H52 Ag F3 N4 O3 P8 S5 -","- C212 H208 Ag4 F12 N16 O12 P32 S20 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0522","0.0487","","","0.1276","0.1322","","","","","","1.025","","","","has coordinates","233961","2020-10-21","18:00:00",""
"4350072","22.869","0.0004","10.96066","0.00016","8.34393","0.00014","90","","90","","90","","2091.48","0.06","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Cu(L)2(Py)2](Et4N)2 3H2O","","","- C36 H58 Cu2 N8 O11 -","- C36 H58 Cu2 N8 O11 -","- C72 H116 Cu4 N16 O22 -","2","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.067","0.0635","","","0.1764","0.1806","","","","","","1.03","","","","has coordinates,has disorder","237974","2020-10-21","18:00:00",""
"4350094","32.3884","0.0003","29.3119","0.0005","16.0224","0.0003","90","","90","","90","","15211.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C172 H252 Cu11.5 N100 Ni1.5 O W8 -","- C172 H252 Cu11.5 N100 Ni1.5 O W8 -","- C344 H504 Cu23 N200 Ni3 O2 W16 -","2","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.77538","synchrotron","","0.1058","0.0949","","","0.2964","0.308","","","","","","1.231","","","","has coordinates","237991","2020-10-21","18:00:00",""
"4350096","32.2076","0.0003","29.6713","0.0004","16.127","0.0002","90","","90","","90","","15411.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C172 H252 Co Cu12 N100 O W8 -","- C172 H252 Co Cu12 N100 O W8 -","- C344 H504 Co2 Cu24 N200 O2 W16 -","2","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.77538","synchrotron","","0.0918","0.0838","","","0.2383","0.2474","","","","","","1.118","","","","has coordinates,has disorder","237991","2020-10-21","18:00:00",""
"4500053","18.6055","0.0005","21.7959","0.0006","13.1561","0.0004","90","","90","","90","","5335.1","0.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 B N O4 -","- C44 H36 B N O4 -","- C264 H216 B6 N6 O24 -","6","1.5","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.0889","0.0684","","","0.1489","0.1586","","","","","","1.056","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500395","6.0063","0.0012","26.006","0.005","4.0378","0.0008","90","","90","","90","","630.7","0.2","93","2","93","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","4,4'-Dibromobenzil","1,2-Bis(4-bromophenyl)ethane-1,2-dione","","- C14 H8 Br2 O2 -","- C14 H8 Br2 O2 -","- C28 H16 Br4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0297","0.0243","","","0.0485","0.0496","","","","","","1.105","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500396","5.8782","0.0008","27.12","0.004","4.1474","0.0004","90","","90","","90","","661.17","0.15","153","2","153","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","4,4'-Diiodobenzil","1,2-Bis(4-iodophenyl)ethane-1,2-dione","","- C14 H8 I2 O2 -","- C14 H8 I2 O2 -","- C28 H16 I4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0232","0.023","","","0.0576","0.0577","","","","","","1.368","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500469","7.227","0.003","23.701","0.011","3.6999","0.0016","90","","90","","90","","633.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H6 N O3.5 -","- C6 H6 N O3.5 -","- C24 H24 N4 O14 -","4","1","","Matias, Elisa P.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","A Robust yet Metastable New Hemihydrate of 4-Hydroxynicotinic Acid","Crystal Growth & Design","2011","11","7","2803","","10.1021/cg1015687","","","0.71073","MoKα","","0.0718","0.0465","","","0.1077","0.1188","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500482","23.234","0.006","5.1735","0.0012","11.294","0.003","90","","90","","90","","1357.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C11 H12 Cu N3 O5 -","- C11 H12 Cu N3 O5 -","- C44 H48 Cu4 N12 O20 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0888","0.0842","","","0.1778","0.18","","","","","","1.2","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500483","21.49","0.003","6.8822","0.001","7.8075","0.0011","90","","90","","90","","1154.7","0.3","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H7 Cu N2 O4 -","- C9 H7 Cu N2 O4 -","- C36 H28 Cu4 N8 O16 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0678","0.063","","","0.1439","0.146","","","","","","1.158","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500514","24.058","0.006","6.8774","0.0016","7.7918","0.0018","90","","90","","90","","1289.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H10 Co O5 -","- C14 H10 Co O5 -","- C56 H40 Co4 O20 -","4","1","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.03","0.0249","","","0.0544","0.0569","","","","","","1.067","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500628","19.9658","0.0005","13.5075","0.0004","5.7764","0.0002","90","","90","","90","","1557.83","0.08","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0581","0.0421","","","0.0864","0.0886","","","","","","0.912","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500986","16.8478","0.0008","17.0353","0.0009","8.0615","0.0005","90","","90","","90","","2313.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C86 H70 Cu4 N8 O35 -","- C86 H64 Cu4 N8 O35 -","- C86 H64 Cu4 N8 O35 -","1","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.0809","0.0441","","","0.1026","0.1099","","","","","","0.707","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501225","18.326","0.004","19.033","0.004","12.529","0.003","90","","90","","90","","4370.1","1.7","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C55 H62 Cd4 N6 O26 -","- C55 H62 Cd4 N6 O26 -","- C110 H124 Cd8 N12 O52 -","2","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0441","0.0428","","","0.1165","0.1179","","","","","","1.068","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501426","16.725","0.003","11.85","0.002","13.514","0.002","90","","90","","90","","2678.4","0.8","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H50 Br2 K2 N22 O21 -","- C42 H40 Br2 K2 N22 O20 -","- C84 H80 Br4 K4 N44 O40 -","2","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0338","0.029","","","0.0706","0.0728","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501606","15.1946","0.0015","17.6866","0.0017","9.0803","0.0009","90","","90","","90","","2440.2","0.4","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H36 Cd2 N4 O16 -","- C41 H36 Cd2 N4 O16 -","- C82 H72 Cd4 N8 O32 -","2","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0552","0.0506","","","0.1515","0.1548","","","","","","1.094","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501607","15.2269","0.0015","17.7296","0.0017","9.0861","0.0009","90","","90","","90","","2452.9","0.4","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H36 Cd2 N4 O16 -","- C41 H36 Cd2 N4 O16 -","- C82 H72 Cd4 N8 O32 -","2","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2010","10","6","2676","","10.1021/cg1001557","","","0.71073","MoKα","","0.0709","0.0577","","","0.1142","0.1169","","","","","","1.083","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501693","31.045","0.002","13.9893","0.0011","14.4513","0.0011","90","","90","","90","","6276.2","0.8","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H71 Cu4 N12 Nb6 O30.5 -","- C32 H32 Cu4 N12 Nb6 O30.5 -","- C128 H128 Cu16 N48 Nb24 O122 -","4","1","","Niu, Jingyang; Fu, Xiao; Zhao, Junwei; Li, Suzhi; Ma, Pengtao; Wang, Jingping","Two-Dimensional Polyoxoniobates Constructed from Lindqvist-Type Hexaniobates Functionalized by Mixed Ligands","Crystal Growth & Design","2010","10","7","3110","","10.1021/cg100236c","","","0.71073","MoKα","","0.0338","0.0286","","","0.0717","0.0737","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502498","11.991","0.003","15.163","0.004","15.718","0.004","90","","90","","90","","2857.8","1.3","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H56 Br2 K2 N20 O17 -","- C50 H46 Br2 K2 N20 O17 -","- C100 H92 Br4 K4 N40 O34 -","2","0.5","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.1003","0.06","","","0.1527","0.1838","","","","","","1.022","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502499","15.898","0.003","11.92","0.003","15.222","0.003","90","","90","","90","","2884.6","1.1","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H56 K2 N22 O23 -","- C50 H46 K2 N22 O23 -","- C100 H92 K4 N44 O46 -","2","0.5","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0808","0.06","","","0.1648","0.1828","","","","","","1.051","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502504","15.692","0.002","11.9459","0.0017","14.805","0.002","90","","90","","90","","2775.3","0.6","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H56 I2 K2 N20 O21 -","- C42 H42 I2 K2 N20 O21 -","- C84 H84 I4 K4 N40 O42 -","2","0.5","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0302","0.0265","","","0.065","0.0665","","","","","","1.067","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502549","14.373","0.002","18.92","0.003","8.7804","0.0013","90","","90","","90","","2387.7","0.6","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H56 N4 O14 Zn2 -","- C45 H56 N4 O14 Zn2 -","- C90 H112 N8 O28 Zn4 -","2","0.5","","Liang, Li-Li; Ren, Shi-Bin; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Two Thermostable Three-Dimensional Homochiral Metal−Organic Polymers with Quartz Topology","Crystal Growth & Design","2010","10","3","1307","","10.1021/cg901353e","","","0.71073","MoKα","","0.0655","0.0543","","","0.108","0.1104","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502550","13.2749","0.0009","18.8649","0.0013","9.7598","0.0007","90","","90","","90","","2444.1","0.3","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H56 Cd2 N4 O14 -","- C45 H56 Cd2 N4 O14 -","- C90 H112 Cd4 N8 O28 -","2","0.5","","Liang, Li-Li; Ren, Shi-Bin; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Two Thermostable Three-Dimensional Homochiral Metal−Organic Polymers with Quartz Topology","Crystal Growth & Design","2010","10","3","1307","","10.1021/cg901353e","","","0.71073","MoKα","","0.0576","0.0513","","","0.1168","0.1183","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503007","26.282","0.005","6.62","0.005","7.667","0.005","90","0.005","90","0.005","90","0.005","1334","1.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 Co N2 O7 -","- C9 H7 Co N2 O7 -","- C36 H28 Co4 N8 O28 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0901","0.0647","","","0.1713","0.1893","","","","","","1.065","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503008","26.1792","0.0015","6.64","0.0004","7.6702","0.0005","90","","90","","90","","1333.31","0.14","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 N2 Ni O7 -","- C9 H7 N2 Ni O7 -","- C36 H28 N8 Ni4 O28 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0618","0.0458","","","0.1324","0.1406","","","","","","1.221","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503009","27.1331","0.0009","6.7002","0.0002","7.6817","0.0003","90","","90","","90","","1396.51","0.08","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H10 Co N O6 -","- C10 H8 Co N O6 -","- C40 H32 Co4 N4 O24 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.1019","0.0626","","","0.1905","0.2165","","","","","","1.121","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503010","26.9967","0.0009","6.6856","0.0002","7.6377","0.0003","90","","90","","90","","1378.52","0.08","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H10 N Ni O6 -","- C10 H8 N Ni O6 -","- C40 H32 N4 Ni4 O24 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0835","0.0807","","","0.2581","0.2599","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503172","13.871","0.0014","33.898","0.004","5.4168","0.0006","90","","90","","90","","2547","0.5","258","2","258","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Cd(Ala2)2","","","- C36 H66 Cd3 N12 O18 -","- C36 H66 Cd3 N12 O18 -","- C72 H132 Cd6 N24 O36 -","2","0.5","","Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.","Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions","Crystal Growth & Design","2008","8","1","296","","10.1021/cg700724h","","","0.71073","MoKα","","0.0433","0.0354","","","0.0757","0.0847","","","","","","1.076","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4504778","5.5664","0.0003","40.672","0.002","3.9542","0.0003","90","","90","","90","","895.22","0.09","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H17 Br2 N O4 -","- C18 H17 Br2 N O4 -","- C36 H34 Br4 N2 O8 -","2","0.5","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0409","0.0404","","","0.0971","0.0973","","","","","","1.341","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4505215","10.0741","0.0002","12.2003","0.0002","4.63","0.0001","90","","90","","90","","569.06","0.019","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 2","P 2 2ab","18","","","","- C13 H12 S2 -","- C13 H12 S2 -","- C26 H24 S4 -","2","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0328","0.0314","","","0.0852","0.0864","","","","","","1.051","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505301","16.898","0.002","11.011","0.001","11.022","0.003","90","","90","","90","","2050.8","0.6","212.5","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O5 -","- C22 H36 O5 -","- C88 H144 O20 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0","","","","0.0992","","","","","","1.212","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505833","14.309","0.004","21.796","0.006","7.076","0.002","90","","90","","90","","2206.9","1.1","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(R)-2-(2,4,5-Trichlorophenoxy)propionic Acid","","- C9 H7 Cl3 O3 -","- C9 H7 Cl3 O3 -","- C72 H56 Cl24 O24 -","8","2","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.171","0.0685","","","0.1009","0.1279","","","","","","1.011","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4506319","10.764","0.004","26.969","0.009","9.724","0.003","90","","90","","90","","2822.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu2 N6 O8 -","- C18 H22 Cu2 N6 O8 -","- C72 H88 Cu8 N24 O32 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal–Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0809","0.0622","","","0.1842","0.2047","","","","","","1.01","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4506320","11.821","0.005","26.001","0.011","9.892","0.004","90","","90","","90","","3040","2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H30 Cu2 N6 O6 -","- C22 H30 Cu2 N6 O6 -","- C88 H120 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0908","0.0634","","","0.1489","0.168","","","","","","1.067","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506321","11.6874","0.0005","26.5378","0.0014","9.7479","0.0004","90","","90","","90","","3023.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H30 Cu2 N6 O6 -","- C30 H30 Cu2 N6 O6 -","- C120 H120 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0732","0.0682","","","0.2058","0.2147","","","","","","0.98","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506323","10.7957","0.0006","26.9671","0.0017","9.6972","0.0004","90","","90","","90","","2823.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu2 N6 O8 -","- C18 H22 Cu2 N6 O8 -","- C72 H88 Cu8 N24 O32 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0475","0.0422","","","0.1334","0.1407","","","","","","1.044","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506343","19.7573","0.0012","19.757","","10.2813","0.0006","90","","90","","90","","4013.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H36 Co2 N4 O9 -","- C40 H36 Co2 N4 O9 -","- C160 H144 Co8 N16 O36 -","4","1","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.0582","0.0549","","","0.1487","0.1521","","","","","","1.062","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506410","20.994","0.007","32.153","0.011","6.953","0.002","90","","90","","90","","4693","3","100","2","100","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C132 H104 -","- C132 H104 -","- C264 H208 -","2","0.5","","Stopin, Antoine; Garcia-Garibay, Miguel A.","Crystals and Aggregates of a Molecular Tetrarotor with Multiple Trityl Embraces Derived from Tetraphenyladamantane","Crystal Growth & Design","2012","12","7","3792","","10.1021/cg300632q","","","0.71073","MoKα","","0.1249","0.0621","","","0.1191","0.1415","","","","","","0.919","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506551","36.15","0.003","5.3476","0.0004","7.3795","0.0005","90","","90","","90","","1426.57","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H24 Ag3 N7 S2 -","- C27 H24 Ag3 N7 S2 -","- C54 H48 Ag6 N14 S4 -","2","0.5","","Lee, Eunji; Seo, Joobeom; Lee, Shim Sung; Park, Ki-Min","A Triple-Stranded Ladder-Type Coordination Polymer","Crystal Growth & Design","2012","12","8","3834","","10.1021/cg300692y","","","0.71073","MoKα","","0.0639","0.0374","","","0.0756","0.0939","","","","","","1.023","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506922","19.0413","0.0019","23.213","0.002","7.1223","0.0007","90","","90","","90","","3148.1","0.5","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H33 Cd Cl N6 O8 -","- C30 H33 Cd Cl N6 O8 -","- C120 H132 Cd4 Cl4 N24 O32 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0584","0.0493","","","0.1317","0.1375","","","","","","1.056","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506924","19.261","0.002","34.341","0.004","13.6935","0.0015","90","","90","","90","","9057.5","1.7","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H116 N12 Ni4 O28 -","- C80 H92 N12 Ni4 O16 -","- C320 H368 N48 Ni16 O64 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0949","0.0788","","","0.2109","0.2235","","","","","","0.993","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507184","13.994","0.002","32.022","0.005","13.811","0.003","90","","90","","90","","6188.9","1.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-serinate 0.1-hydrate","","- C66 H70.2 N10 O24.1 -","- C66 H70 N10 O24.1 -","- C264 H280 N40 O96.4 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0729","0.0394","","","0.0781","0.0909","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507703","6.432","0.002","22.966","0.009","5.0934","0.0019","90","","90","","90","","752.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H26 Cl2 N2 O2 -","- C10 H26 Cl2 N2 O2 -","- C20 H52 Cl4 N4 O4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0668","0.0588","","","0.1378","0.1431","","","","","","1.032","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507704","12.239","0.003","15.151","0.003","5.298","0.0011","90","","90","","90","","982.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H32 N2 O8 S2 -","- C12 H32 N2 O8 S2 -","- C24 H64 N4 O16 S4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.073","0.0646","","","0.1242","0.1274","","","","","","1.156","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4508321","13.849","0.004","24.297","0.006","7.644","0.002","90","","90","","90","","2572.1","1.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H70.5 N2 O14.25 -","- C50 H70.52 N2 O14.25 -","- C100 H141.04 N4 O28.5 -","2","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1441","0.0948","","","0.2304","0.2695","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509235","10.8149","0.0002","12.8832","0.0002","6.6247","0.0001","90","","90","","90","","923.02","0.03","571","2","571","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C36 H52 Cl4 Ti2 -","2","0.5","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","1.54178","Cu-Kα","","0.0273","0.0262","","","0.0734","0.0744","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509250","15.5075","0.0011","33.993","0.002","10.4725","0.0008","90","","90","","90","","5520.5","0.7","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H50 Co3 N3 O13 S2 -","- C51 H50 Co3 N3 O13 S2 -","- C204 H200 Co12 N12 O52 S8 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart. R.; Wang, Jian-Ge","Two Coordination Polymers Involving Triangular and Linear Trinuclear Co(II) Clusters Created Via In situ Ligand Synthesis","Crystal Growth & Design","2009","9","5","2036","","10.1021/cg801120y","","","0.71073","MoKα","","0.105","0.0714","","","0.1666","0.1905","","","","","","1.024","","","","has coordinates,has disorder","179628","2020-10-21","18:00:00",""
"4509289","16.8939","0.0008","31.7723","0.0015","8.2865","0.0004","90","","90","","90","","4447.8","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 2","P 2 2ab","18","","","","- C48 H30 Co N9 -","- C48 H30 Co N9 -","- C192 H120 Co4 N36 -","4","1","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.098","0.0534","","","0.1616","0.1783","","","","","","1.001","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509364","19.653","0.003","7.1965","0.0012","13.694","0.002","90","","90","","90","","1936.8","0.5","125","2","125","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H18 F2 O3 -","- C25 H18 F2 O3 -","- C100 H72 F8 O12 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Kamon, Kensaku; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Complexation Behavior of Binaphthol/Tetrafluoro-1,4-benzoquinone Charge-Transfer Complex","Crystal Growth & Design","2009","9","5","2393","","10.1021/cg801287p","","","0.71073","MoKα","","0.1002","0.0505","","","0.1057","0.1125","","","","","","0.752","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509365","19.248","0.003","7.2482","0.0013","13.798","0.002","90","","90","","90","","1925","0.5","130","2","130","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H19 F2 O3.5 -","- C25 H18 F2 O3.5 -","- C100 H72 F8 O14 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Kamon, Kensaku; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Complexation Behavior of Binaphthol/Tetrafluoro-1,4-benzoquinone Charge-Transfer Complex","Crystal Growth & Design","2009","9","5","2393","","10.1021/cg801287p","","","0.71073","MoKα","","0.0583","0.0452","","","0.0994","0.1053","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509489","18.3051","0.0005","18.6004","0.0005","13.0542","0.0004","90","","90","","90","","4444.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H30 N4 O5 Zn -","- C19 H30 N4 O5 Zn -","- C152 H240 N32 O40 Zn8 -","8","2","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0534","0.042","","","0.0978","0.1041","","","","","","1.055","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509599","8.3764","0.0012","22.157","0.003","5.6982","0.0008","90","","90","","90","","1057.6","0.3","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Cu N2 O9 -","- C20 H26 Cu N2 O9 -","- C40 H52 Cu2 N4 O18 -","2","0.5","","Nagarathinam, Mangayarkarasi; Saravanan, Kuppan; Leong, Wei Lee; Balaya, Palani; Vittal, Jagadese J.","Hollow Nanospheres and Flowers of CuS from Self-Assembled Cu(II) Coordination Polymer and Hydrogen-Bonded Complexes ofN-(2-Hydroxybenzyl)-l-serine","Crystal Growth & Design","2009","9","10","4461","","10.1021/cg9004938","","","0.71073","MoKα","","0.0633","0.0619","","","0.1416","0.1421","","","","","","1.254","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4510160","21.195","0.004","23.059","0.005","5.1058","0.0011","90","","90","","90","","2495.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C96 H124 N8 O30 -","2","0.5","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1239","0.064","","","0.1112","0.1482","","","","","","1.091","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510479","17.4006","0.0007","17.4254","0.0008","11.0395","0.0005","90","","90","","90","","3347.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","(2S,2'S)-1,1'-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C28 H38 F6 Mn N4 O8 S2 -","- C28 H38 F6 Mn N4 O8 S2 -","- C112 H152 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.054","0.0529","","","0.1396","0.1407","","","","","","1.118","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510888","19.454","0.0007","18.7009","0.0008","10.8348","0.0004","90","","90","","90","","3941.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C168 H256 N16 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0718","0.0487","","","0.1033","0.1149","","","","","","1.024","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4511065","13.8332","0.0007","21.6436","0.001","12.125","0.0006","90","","90","","90","","3630.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H42 N12 O31 Zn4 -","- C50 H42 N12 O31 Zn4 -","- C100 H84 N24 O62 Zn8 -","2","0.5","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0626","0.0532","","","0.1388","0.1443","","","","","","1.008","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511333","10.015","0.003","16.303","0.005","5.9874","0.0017","90","","90","","90","","977.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H16 Co N6 O4 -","- C20 H16 Co N6 O4 -","- C40 H32 Co2 N12 O8 -","2","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0306","0.0295","","","0.0914","0.0921","","","","","","1","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511334","10.0177","0.0014","16.292","0.002","5.9802","0.0009","90","","90","","90","","976","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H16 N6 O4 Zn -","- C20 H16 N6 O4 Zn -","- C40 H32 N12 O8 Zn2 -","2","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0248","0.0244","","","0.0622","0.0624","","","","","","1.085","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4512129","15.0516","0.0006","21.3252","0.0007","9.1395","0.0003","90","","90","","90","","2933.58","0.18","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H62 Co2 N12 O19 -","- C62 H62 Co2 N12 O19 -","- C124 H124 Co4 N24 O38 -","2","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.05","0.0395","","","0.0885","0.0945","","","","","","1.037","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512618","20.1049","0.0018","12.7575","0.0015","14.427","0.0012","90","","90","","90","","3700.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H20 N18 O10 Zn5 -","- C26 H20 N18 O10 Zn5 -","- C52 H40 N36 O20 Zn10 -","2","0.5","","Fu, Hong-Ru; Zhang, Jian","Flexible Porous Zinc‒Pyrazole‒Adenine Framework for Hysteretic Sorption of Light Hydrocarbons","Crystal Growth & Design","2015","15","3","1210","","10.1021/cg5016093","","","0.71073","MoKα","","0.0615","0.0503","","","0.1401","0.1471","","","","","","1.055","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4513011","16.3012","0.0002","16.5873","0.0002","17.1743","0.0002","90","","90","","90","","4643.81","0.1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H80 B24 N12 O79.23 V10 -","- C18 H80 B24 N12 O79.224 V10 -","- C36 H160 B48 N24 O158.448 V20 -","2","0.5","","Muñoz-Becerra, Karina; Hermosilla-Ibáñez, Patricio; Le Fur, Eric; Cador, Olivier; Paredes-García, Verónica; Spodine, Evgenia; Venegas-Yazigi, Diego","First Non-Centrosymmetric Deca-Vanadoborate with Borate Vacancies, Self-Assembled around a 1,3-Propanediammonium Cation","Crystal Growth & Design","2015","15","6","2561","","10.1021/acs.cgd.5b00102","","","0.71069","MoKα","","0.0689","0.0505","","","0.1359","0.1482","","","","","","1.051","","","","has coordinates","138063","2020-10-21","18:00:00",""
"4513190","18.94","0.02","5.029","0.006","6.071","0.008","90","","90","","90","","578.3","1.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H8 N2 O5 -","- C13 H8 N2 O5 -","- C26 H16 N4 O10 -","2","0.5","","Thakur, Tejender S.; Singh, Shiv Shankar","Studying the Role of C═O···C═O, C═O···N‒O, and N‒O···N‒O Dipole‒Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study","Crystal Growth & Design","2015","15","7","3280","","10.1021/acs.cgd.5b00408","","","0.71075","MoKα","","0.025","0.023","","","","0.046","","","","","","1.033","","","","has coordinates","140061","2020-10-21","18:00:00",""
"4513693","15.8454","0.0012","20.9947","0.0015","13.9809","0.0007","90","","90","","90","","4651","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H23 Cd1.5 N4 O7 -","- C32 H23 Cd1.5 N4 O7 -","- C128 H92 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0542","0.0451","","","0.1267","0.1327","","","","","","0.883","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513694","15.7264","0.0006","20.8072","0.0011","13.9774","0.0006","90","","90","","90","","4573.7","0.4","293.05","0.1","293.05","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H24 Cd1.5 N4 O7 -","- C31.5 H24 Cd1.5 N4 O7 -","- C126 H96 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0717","0.0627","","","0.1689","0.1781","","","","","","1.056","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513695","15.9125","0.0003","20.9486","0.0004","13.9023","0.0002","90","","90","","90","","4634.26","0.14","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H24 Cd1.5 N4 O7 -","- C32 H24 Cd1.5 N4 O7 -","- C128 H96 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0393","0.0373","","","0.1245","0.1269","","","","","","1.085","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513696","15.9133","0.0008","20.9595","0.0009","13.9143","0.0006","90","","90","","90","","4640.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H25 Cd1.5 N4 O7 -","- C32 H25 Cd1.5 N4 O7 -","- C128 H100 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0574","0.0454","","","0.1157","0.1205","","","","","","1.071","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513748","9.7227","0.0006","23.8357","0.0014","8.7364","0.0005","90","","90","","90","","2024.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23.73 H18.45 Cl0.7 N O3.12 S -","- C23.725 H18.45 Cl0.7 N O3.125 S -","- C94.9 H73.8 Cl2.8 N4 O12.5 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0546","0.0443","","","0.1036","0.1097","","","","","","1.049","","","","has coordinates,has disorder","175759","2020-10-21","18:00:00",""
"4513782","18.2664","0.0012","21.4148","0.0014","10.4443","0.0007","90","","90","","90","","4085.5","0.5","147","2","147","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C46 H45 B Cl F4 Fe N2 O P2 -","- C46 H45 B Cl F4 Fe N2 O P2 -","- C184 H180 B4 Cl4 F16 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.0571","0.0386","","","0.0732","0.0796","","","","","","1.005","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4514325","20.627","0.002","10.6003","0.0011","14.9178","0.0015","90","","90","","90","","3261.8","0.6","190","2","190","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H32 Cl2 F4 Ir2 -","- C40 H32 Cl2 F4 Ir2 -","- C160 H128 Cl8 F16 Ir8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0411","0.0309","","","0.0652","0.069","","","","","","1.06","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514383","13.9676","0.0003","23.8405","0.0005","5.5166","0.0001","90","","90","","90","","1837","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","FE01059","","","- C18 H17 Br N2 O5 -","- C18 H17 Br N2 O5 -","- C72 H68 Br4 N8 O20 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0591","0.0341","","","0.0862","0.0955","","","","","","1.02","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514458","16.7454","0.0006","23.717","0.0008","14.1718","0.0005","90","","90","","90","","5628.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(R)-AlaNDI-Cd","","","- C107 H111 Cd4 N17 O41 -","- C107 H111 Cd4 N17 O41 -","- C214 H222 Cd8 N34 O82 -","2","0.5","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak","Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics.","ACS applied materials & interfaces","2019","11","22","20174","20182","10.1021/acsami.9b04653","","","0.71073","MoKα","","0.0781","0.0618","","","0.1362","0.1456","","","","","","1.073","","","","has coordinates,has disorder","219647","2020-10-21","18:00:00",""
"4514776","13.6131","0.0004","35.785","0.0011","9.9738","0.0003","90","","90","","90","","4858.7","0.3","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H25 O3 P S -","- C27 H25 O3 P S -","- C216 H200 O24 P8 S8 -","8","2","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.0477","0.0377","","","0.0924","0.0993","","","","","","1.039","","","","has coordinates","219936","2020-10-21","18:00:00",""
"4514953","12.1872","0.0003","19.6134","0.0004","10.1516","0.0002","90","","90","","90","","2426.56","0.09","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23.5 H23.5 Cl1.5 N3 O7 -","- C23.5 H23.5 Cl1.5 N3 O7 -","- C94 H94 Cl6 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0503","0.0494","","","0.1426","0.1448","","","","","","1.048","","","","has coordinates,has disorder","220119","2020-10-21","18:00:00",""
"4515848","16.85","0.004","16.855","0.004","7.7979","0.0018","90","","90","","90","","2214.7","0.9","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0919","0.0715","","","0.1171","0.1231","","","","","","1.161","","","","has coordinates","225948","2020-10-21","18:00:00",""
"4515960","19.453","0.002","7.6077","0.0005","13.2277","0.0007","90","","90","","90","","1957.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","0.71073","MoKα","","0.0512","0.0433","","","0.098","0.1034","","","","","","1.04","","","","has coordinates,has disorder","226024","2020-10-21","18:00:00",""
"4516217","20.0614","0.0017","9.2769","0.0008","13.7686","0.0012","90","","90","","90","","2562.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H60 N4 O6 Pd2 -","- C46 H60 N4 O6 Pd2 -","- C92 H120 N8 O12 Pd4 -","2","0.5","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0245","0.0211","","","0.0465","0.0474","","","","","","1.044","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516220","12.4112","0.0008","25.3634","0.0016","5.907","0.0003","90","","90","","90","","1859.47","0.19","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 N2 O2 Pd -","- C20 H26 N2 O2 Pd -","- C80 H104 N8 O8 Pd4 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.0253","0.0224","","","0.0469","0.0475","","","","","","1.074","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516712","22.7811","0.0006","22.9453","0.0006","13.3383","0.0003","90","","90","","90","","6972.2","0.3","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C150 H162 F12 Fe4 N12 O6 P2 -","- C150 H162 F12 Fe4 N12 O6 P2 -","- C300 H324 F24 Fe8 N24 O12 P4 -","2","0.5","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","","0.71073","MoKα","","0.0323","0.0282","","","0.0739","0.077","","","","","","1.083","","","","has coordinates","239479","2020-10-21","18:00:00",""
"4516782","18.9642","0.0008","11.2161","0.0004","13.5628","0.0005","90","","90","","90","","2884.87","0.19","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","CX-10-036","CX-10-036","","- C25 H33 N O8 -","- C25 H33 N O8 -","- C100 H132 N4 O32 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0824","0.0563","","","0.1375","0.1501","","","","","","1.055","","","","has coordinates","239534","2020-10-21","18:00:00",""
"4516805","13.2424","0.0009","23.4593","0.0018","5.5565","0.0004","90","","90","","90","","1726.2","0.2","90","0.5","90","0.5","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C7 H11 N O2 S -","- C7 H11 N O2 S -","- C56 H88 N8 O16 S8 -","8","2","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.0702","0.0449","","","0.0833","0.0911","","","","","","1.017","","","","has coordinates","239554","2020-10-21","18:00:00",""
"4516999","16.1308","0.0005","23.6787","0.0007","9.7385","0.0003","90","","90","","90","","3719.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H54 Cd3 N6 O18 -","- C84 H54 Cd3 N6 O18 -","- C168 H108 Cd6 N12 O36 -","2","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0422","0.031","","","0.0413","0.0429","","","","","","1.245","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4517332","24.0564","0.0002","18.6694","0.0002","12.3508","0.0001","90","","90","","90","","5546.97","0.09","150","0.13","150","0.13","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C202 H212 B4 Cl4 F96 P8 Rh4 -","2","0.5","","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","","0.0477","0.0441","","","0.11","0.113","","","","","","1.03","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517353","21.815","0.002","40.483","0.004","10.9637","0.0011","90","","90","","90","","9682.4","1.6","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H29 F6 P Ru S3 -","- C20 H29 F6 P Ru S3 -","- C320 H464 F96 P16 Ru16 S48 -","16","4","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0227","0.0217","","","0.0543","0.0549","","","","","","1.037","","","","has coordinates","247220","2020-10-21","18:00:00",""
"4517506","12.627","0.004","16.99","0.005","4.5162","0.0013","90","","90","","90","","968.9","0.5","273","2","273.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H8 Cl4 F6 N4 O -","- C15 H8 Cl4 F6 N4 O -","- C30 H16 Cl8 F12 N8 O2 -","2","0.5","","Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata","Tandem Detection of Sub-Nano Molar Level CN‒ and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN‒ and Development of the RGB-Based Sensory Device","ACS Omega","2020","5","12","6576","6587","10.1021/acsomega.9b04311","","","0.71073","MoKα","","0.0448","0.037","","","0.085","0.0903","","","","","","1.028","","","","has coordinates,has disorder","257076","2020-10-21","18:00:00",""
"4517639","13.5688","0.0014","11.1801","0.001","11.1208","0.001","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C20 H32 -","- C20 H32 -","- C80 H128 -","4","1","","Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying","Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts","ACS Catalysis","2020","10","10","5846","5851","10.1021/acscatal.0c01575","","","1.54184","CuKα","","0.0756","0.053","","","0.1274","0.1488","","","","","","1.026","","","","has coordinates","256989","2020-10-21","18:00:00",""
"4517694","42.4084","0.0004","13.6051","0.0001","7.6568","0.0001","90","","90","","90","","4417.75","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H44 O2 -","- C25 H44 O2 -","- C200 H352 O16 -","8","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0857","0.0871","","","","","","1.048","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517738","12.2006","0.0003","34.6872","0.0006","13.1696","0.0002","90","","90","","90","","5573.44","0.19","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C60 H61 N4 O11 -","- C60 H61 N4 O11 -","- C240 H244 N16 O44 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","1.54184","CuKα","","0.0751","0.0721","","","0.1817","0.1834","","","","","","1.16","","","","has coordinates,has disorder","252499","2020-10-21","18:00:00",""
"4518196","16.3426","0.0004","32.7061","0.0008","10.0263","0.0002","90","","90","","90","","5359.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","2","","Aratikatla, Eswar K.; Kalamuddin, Md; Malhotra, Pawan; Mohmmed, Asif; Bhattacharya, Asish K.","Enantioselective Synthesis of γ-Phenyl-γ-amino Vinyl Phosphonates and Sulfones and Their Application to the Synthesis of Novel Highly Potent Antimalarials.","ACS omega","2020","5","45","29025","29037","10.1021/acsomega.0c03470","","","1.54178","CuKα","","0.032","0.0308","","","0.0811","0.0825","","","","","","1.034","","","","has coordinates","259512","2020-12-04","02:15:07",""
"4518342","20.0712","0.0012","30.159","0.002","6.8657","0.0005","90","","90","","90","","4156","0.5","173","2","173","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C18 H15 B Br2 F3 K O2 -","- C18 H15 B Br2 F3 K O2 -","- C144 H120 B8 Br16 F24 K8 O16 -","8","2","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","1.54178","CuKα","","0.117","0.0775","","","0.1877","0.2111","","","","","","0.941","","","","has coordinates","260088","2020-12-22","22:25:45",""
"4518493","27.2621","0.0009","33.0868","0.0011","13.1605","0.0004","90","","90","","90","","11871","0.7","296.15","","296.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C98 H140 N6 O12 P2 Pd2 S2 -","- C98 H140 N6 O12 P2 Pd2 S2 -","- C392 H560 N24 O48 P8 Pd8 S8 -","4","1","","Hang, Chao; Ramirez, Antonio; Chan, Collin; Hsiao, Yi; DelMonte, Albert J.; Simmons, Eric M.","Mechanistic Studies of a Pd-Catalyzed Direct Arylation En Route to Beclabuvir: Dual Role of a Tetramethylammonium Cation and an Unusual Turnover-Limiting Step","ACS Catalysis","2021","","","2460","2472","10.1021/acscatal.0c05533","","x-ray","1.54178","CuKα","","0.0447","0.0433","","","0.1233","0.1259","","","","","","1.092","","","","has coordinates,has disorder","261869","2021-02-10","22:24:04",""
"4518833","18.7939","0.001","22.4746","0.0012","10.3719","0.0005","90","","90","","90","","4380.9","0.4","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","voacamine","","","- C43 H57 N4 O7.5 -","- C43 H52 N4 O7.5 -","- C172 H208 N16 O30 -","4","1","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","","1.54178","CuKα","","0.1552","0.1276","","","0.34","0.3659","","","","","","1.071","","","","has coordinates,has disorder","266689","2021-06-25","21:36:05",""
"4518834","21.993","0.003","54.505","0.006","10.1583","0.0011","90","","90","","90","","12177","3","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","voacamine","","","- C43 H54 N4 O6 -","- C43 H54 N4 O6 -","- C516 H648 N48 O72 -","12","3","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","","1.54178","CuKα","","0.1788","0.0877","","","0.1811","0.2249","","","","","","0.988","","","","has coordinates,has disorder","266689","2021-06-25","21:36:06",""
"4519348","5.08","0.0011","27.367","0.008","5.5795","0.0014","90","","90","","90","","775.7","0.3","100.01","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H14 Cl2 O2 -","- C19 H14 Cl2 O2 -","- C38 H28 Cl4 O4 -","2","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.023","0.0226","","","0.0607","0.061","","","","","","1.139","","","","has coordinates","273255","2022-03-03","21:09:56",""
"5000031","12.055","0.003","19.28","0.003","6.63","0.002","90","","90","","90","","1540.95","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H25 O2.499 -","- C18 H26 O2.5 -","- C72 H104 O10 -","4","1","","Busetta, B.; Hospital, M.","Structure cristalline et moleculaire de l'oestradiol hemihydrate","Acta Crystallographica Section B","1972","28","2","560","567","10.1107/S0567740872002754","","","","","","","","","","","","","","","","","","","","","has coordinates","175323","2020-10-21","18:00:00",""
"5000337","11.8233","0.0016","14.4052","0.0018","7.2445","0.0009","90","","90","","90","","1233.9","0.3","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H42 Cl2 Fe P2 -","- C18 H42 Cl2 Fe P2 -","- C36 H84 Cl4 Fe2 P4 -","2","0.5","","","","","","","","","","","","","0.71069","MoKα","","","0.0257","","","","0.0287","","","","","","0.7728","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"6000162","7.612","","14.795","","7.446","","90","","90","","90","","838.57","","","","","","","","","","","","","5","P 21 21 2","","","","","","- H5 O16 P Rb4 S3 -","","","","","","Stiewe, A.; Sonntag, R.; Troyanov, S. I.; Hansen, T.; Kemnitz, E.","Synthesis and structure determination of Rb-2(HSO4)(H2PO4) and Rb-4(HSO4)(3)(H2PO4) by X-ray single crystal and neutron powder diffraction","Journal of Solid State Chemistry","2000","149","","9","15","10.1006/jssc.1999.8468","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000897","17.641","0.004","14.885","0.003","17.058","0.003","90","","90","","90","","4479.2","1.6","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C88 H121 F6 Ga2 N6 O0.5 Pt -","- C88 H121 F6 Ga2 N6 O0.5 Pt -","- C176 H242 F12 Ga4 N12 O Pt2 -","2","0.5","","Moxey, Graeme J.; Jones, Cameron; Stasch, Andreas; Junk, Peter C.; Deacon, Glen B.; Woodul, William D.; Drago, Penny R.","Complexes of four-membered group 13 metal(I) N-heterocyclic carbene analogues with platinum(II) fragments","Dalton Transactions","2009","","14","2630","2636","10.1039/b821984b","","","0.71073","MoKα","","0.0444","0.0347","","","0.0824","0.0868","","","","","","1.06","","","","has coordinates,has disorder","209580","2020-10-21","18:00:00",""
"7001107","10.9716","0.0001","11.7405","0.0001","15.2578","0.0002","90","","90","","90","","1965.39","0.04","296","2","296","2","","","","","","","synthesized","6","P 21 21 2","P 2 2ab","18","","","","- C44 H44 Cu Fe2 N4 O6 -","- C44 H44 Cu Fe2 N4 O6 -","- C88 H88 Cu2 Fe4 N8 O12 -","2","0.5","","Sahoo, Subash Chandra; Ray, Manabendra","Formation of a narrow chiral cavity in bis-copper(ii) complexes of ferrocenylmethyl-l-tyrosine and its interaction with achiral guests","Dalton Transactions","2009","","17","3230","3236","10.1039/b819915a","","","0.71073","MoKα","","0.0317","0.0279","","","0.0809","0.0822","","","","","","1.035","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001108","11.024","0.0002","11.7776","0.0002","15.3338","0.0003","90","","90","","90","","1990.88","0.06","296","2","296","2","","","","","","","synthesized","6","P 21 21 2","P 2 2ab","18","","","","- C45 H45 Cu Fe2 N3 O6 -","- C45 H45 Cu Fe2 N3 O6 -","- C90 H90 Cu2 Fe4 N6 O12 -","2","0.5","","Sahoo, Subash Chandra; Ray, Manabendra","Formation of a narrow chiral cavity in bis-copper(ii) complexes of ferrocenylmethyl-l-tyrosine and its interaction with achiral guests","Dalton Transactions","2009","","17","3230","3236","10.1039/b819915a","","","0.71073","MoKα","","0.0491","0.0336","","","0.0879","0.0922","","","","","","1.074","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001275","15.3532","0.0002","31.8628","0.0006","14.3849","0.0002","90","","90","","90","","7037.03","0.19","223","2","223","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C48.33 H54.67 Cl2 Fe2 N2 O2 Ti -","- C48.3333 H54.6667 Cl2 Fe2 N2 O2 Ti -","- C290 H328 Cl12 Fe12 N12 O12 Ti6 -","6","1.5","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Bis(“ferrocene-saliminato”) group 4 metal complexes: synthesis, structural features and use in homogenous Ziegler‒Natta polymerization catalysis","Dalton Transactions","2009","","19","3731","3741","10.1039/b822741a","","","0.71073","MoKα","","0.0964","0.0567","","","0.13","0.1525","","","","","","1.005","","","","has coordinates,has disorder","179709","2020-10-21","18:00:00",""
"7001646","25.355","0.004","6.7343","0.001","11.0811","0.0017","90","","90","","90","","1892.1","0.5","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H15 Cd N4 O5.5 -","- C21 H15 Cd N4 O5.5 -","- C84 H60 Cd4 N16 O22 -","4","1","","Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen","Interplay of coordinative and supramolecular interactions in formation of a series of metal‒organic complexes bearing diverse dimensionalities","Dalton Transactions","2009","","27","5365","5378","10.1039/b822083b","","","0.71073","MoKα","","0.092","0.0808","","","0.2342","0.2547","","","","","","1.168","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001708","27.515","0.005","34.233","0.005","19.337","0.003","90","","90","","90","","18214","5","223","2","223","2","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C89 H78 Cl3 F6 Fe2 N2 O10.5 P4 Pd2 S2 -","- C89 H78 Cl3 F6 Fe2 N2 O10.5 P4 Pd2 S2 -","- C712 H624 Cl24 F48 Fe16 N16 O84 P32 Pd16 S16 -","8","2","","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","","0.1259","0.079","","","0.1696","0.191","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7002318","12.63","0.02","18.08","0.03","10.392","0.018","90","","90","","90","","2373","7","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C42 H49 Cl4 F6 Mn2 N4 O6 P -","- C42 H49 Cl4 F6 Mn2 N4 O6 P -","- C84 H98 Cl8 F12 Mn4 N8 O12 P2 -","2","0.5","","Rich, Jordi; Rodríguez, Montserrat; Romero, Isabel; Vaquer, Lydia; Sala, Xavier; Llobet, Antoni; Corbella, Montserrat; Collomb, Marie-Noëlle; Fontrodona, Xavier","Mn(ii) complexes containing the polypyridylic chiral ligand (−)-pinene[5,6]bipyridine. Catalysts for oxidation reactions","Dalton Transactions","2009","","38","8117","8126","10.1039/b906435d","","","0.71073","MoKα","","0.074","0.0574","","","0.1691","0.1826","","","","","","1.056","","","","has coordinates,has disorder","179721","2020-10-21","18:00:00",""
"7002404","17.8971","0.0006","19.2376","0.0007","10.9316","0.0004","90","","90","","90","","3763.7","0.2","123","","123","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H28 F12 Fe N6 P2 -","- C42 H28 F12 Fe N6 P2 -","- C168 H112 F48 Fe4 N24 P8 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Diastereoselective complex formation with a simple C2-symmetric hexadentate ligand based on a 1,1'-binaphthalene scaffold","Dalton Transactions","2009","","39","8165","8167","10.1039/b916996m","","","0.71073","MoKα","","0.0391","0.0326","","0.0503","0.0349","0.0333","","","","","","1.2586","","","","has coordinates","209608","2020-10-21","18:00:00",""
"7002419","11.84","0.002","14.977","0.003","3.7771","0.0008","90","","90","","90","","669.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H8 N6 O4 Pb -","- C14 H8 N6 O4 Pb -","- C28 H16 N12 O8 Pb2 -","2","0.5","","Yu, Jie-Hui; Zhu, Yan-Chun; Wu, Di; Yu, Yang; Hou, Qin; Xu, Ji-Qing","Preparation and structural characterization of a series of monoacylhydrazidate-bridged coordination polymers","Dalton Transactions","2009","","39","8248","8256","10.1039/b908812a","","","0.71073","MoKα","","0.0132","0.0124","","","0.0289","0.0307","","","","","","0.99","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002769","22.773","0.003","27.901","0.004","9.9919","0.0015","90","","90","","90","","6348.7","1.6","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H64 N4 O22 P4 Zn4 -","- C52 H64 N4 O22 P4 Zn4 -","- C208 H256 N16 O88 P16 Zn16 -","4","1","","Liu, Xun-Gao; Huang, Jian; Bao, Song-Song; Li, Yi-Zhi; Zheng, Li-Min","Homochiral zinc phosphonates with layered and open framework structures using polycarboxylate as second linkers","Dalton Transactions","2009","","44","9837","9842","10.1039/b914583d","","","0.71073","MoKα","","0.0532","0.0413","","","0.0877","0.09","","","","","","1.087","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7003102","24.094","0.005","8.1984","0.0016","11.307","0.002","90","","90","","90","","2233.5","0.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C39 H42 F6 N4 Ni2 O18 -","- C39 H26 F6 N4 Ni2 O18 -","- C78 H52 F12 N8 Ni4 O36 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Controllable preparation, network structures and properties of unusual metal‒organic frameworks constructed from 4,4′-(hexafluoroisopropylidene)diphthalic acid and 4,4′-bipyridyl","Dalton Transactions","2008","","17","2346","2354","10.1039/b712024a","","","0.71073","MoKα","","0.0428","0.0387","","","0.1008","0.1037","","","","","","1.033","","","","has coordinates","179735","2020-10-21","18:00:00",""
"7003451","10.443","0.002","11.874","0.002","15.806","0.003","90","","90","","90","","1959.9","0.6","153","2","153","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","bis(pentamethylcyclopentadienyl)methylalane","","","- C21 H33 Al -","- C21 H33 Al -","- C84 H132 Al4 -","4","1","","Macdonald, Charles L. B.; Gorden, John D.; Voigt, Andreas; Filipponi, Silvia; Cowley, Alan H.","Group 13 decamethylmetallocenium cations","Dalton Transactions","2008","","9","1161","1176","10.1039/b716220k","","","0.71073","MoKα","","0.1035","0.0936","","","0.2749","0.2834","","","","","","1.096","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7004272","10.2789","0.0009","24.033","0.002","7.4222","0.0006","90","","90","","90","","1833.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C2 H8 Mn N9 O3.5 -","- C2 H8 Mn N9 O3.5 -","- C16 H64 Mn8 N72 O28 -","8","2","","Liu, Na; Yue, Qi; Wang, Yan-Qin; Cheng, Ai-Ling; Gao, En-Qing","Coordination compounds of bis(5-tetrazolyl)amine with manganese(ii), zinc(ii) and cadmium(ii): synthesis, structure and magnetic properties","Dalton Transactions","2008","","34","4621","","10.1039/b804996c","","","0.71073","MoKα","","0.0206","0.0196","","","0.0483","0.0487","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004786","14.813","0.003","16.104","0.002","9.7349","0.0016","90","","90","","90","","2322.2","0.7","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H22 N2 P2 Se3 -","- C22 H22 N2 P2 Se3 -","- C88 H88 N8 P8 Se12 -","4","1","","Hua, Guoxiong; Zhang, Qingzhi; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek","From phenylalkylcyanamides to heterocyclic selenazadiphospholaminediselenides and carbamidoyl(phenyl)phosphinodiselenoic acids","Dalton Transactions","2008","","41","5563","5566","10.1039/b813406p","","","0.71073","MoKα","","0.0446","0.0382","","","0.0638","0.0672","","","","","","1.141","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004999","32.9247","0.0013","12.8185","0.0005","10.2151","0.0004","90","","90","","90","","4311.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C78 H63 Cl2 Co7 N36 O1.5 -","- C78 H63 Cl2 Co7 N36 O1.5 -","- C156 H126 Cl4 Co14 N72 O3 -","2","0.5","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming","The nano-scale molecule with the longest delocalized metal-metal bonds: linear heptacobalt(II) metal string complexes [Co7(micro7-L)4X2].","Dalton transactions (Cambridge, England : 2003)","2007","","8","830","839","10.1039/b614661a","","","0.71073","MoKα","","0.1494","0.0826","","","0.226","0.2818","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7005332","30.696","0.004","11.6049","0.0015","18.233","0.002","90","","90","","90","","6495","1.4","173","2","173","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C54 H82 F3 I3 N7.5 O3 P0.5 Rh2 -","- C54 H82 F3 I3 N7.5 O3 P0.5 Rh2 -","- C216 H328 F12 I12 N30 O12 P2 Rh8 -","4","1","","Adams, Christopher J.; Baber, R. Angharad; Connelly, Neil G.; Harding, Phimphaka; Hayward, Owen D.; Kandiah, Mathivathani; Orpen, A. Guy","Iodination of triazenide-bridged rhodium and iridium complexes: oxidative addition vs. one-electron oxidation.","Dalton transactions (Cambridge, England : 2003)","2007","","13","1325","1333","10.1039/b700736a","","","0.71073","MoKα","","0.0839","0.0464","","","0.1148","0.1389","","","","","","1.017","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7005560","21.976","0.004","22.716","0.005","9.944","0.002","90","","90","","90","","4964.1","1.7","200","2","200","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C50 H68 Cl2 Li N4 O4 Yb -","- C50 H68 Cl2 Li N4 O4 Yb -","- C200 H272 Cl8 Li4 N16 O16 Yb4 -","4","1","","Meyer, Nils; Roesky, Peter W.","Chiral bridged aminotroponiminate complexes of the lanthanides.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2652","2657","10.1039/b703020g","","","0.71073","MoKα","","0.0418","0.0355","","","0.0856","0.0882","","","","","","1.02","","","","has coordinates,has disorder","179759","2020-10-21","18:00:00",""
"7005618","10.5821","0.0018","13.149","0.003","4.5942","0.0008","90","","90","","90","","639.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C26 H32 N8 O4 -","2","0.5","","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","","0.077","0.0712","","","0.2021","0.2063","","","","","","1.157","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7006462","8.348","0.002","12.416","0.002","13.915","0.003","90","","90","","90","","1442.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","catena-((1,2-bis(4-pyridyl)ethane,N,N')-squarate-bis(aquo)- manganese(ii)) (1,2-bis(4-pyridyl)ethane) hydrated","catena-[(1,2-bis(4-pyridyl)ethane,N,N')-squarate-bis(aquo)-manganese(II)] (1,2-bis(4-pyridyl)ethane) hydrated","","- C28 H30 Mn N4 O7 -","- C28 H28 Mn N4 O7 -","- C56 H56 Mn2 N8 O14 -","2","0.5","","Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Zangrando, Ennio; Ribas, Joan; Chaudhuri, Nirmalendu Ray","Structural diversity in manganese squarate frameworks using N,N-donor chelating/bridging ligands: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1554","1563","10.1039/b510999j","","","0.71073","MoKα","","0.0517","0.0439","","","0.1045","0.1149","","","","","","1.06","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006747","14.196","0.007","35.926","0.017","10.613","0.005","90","","90","","90","","5413","4","293","2","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H61 Al2 I6 N3 O0.5 -","- C42 H61 Al2 I6 N3 O0.5 -","- C168 H244 Al8 I24 N12 O2 -","4","1","","Masuda, Jason D.; Stephan, Douglas W.","Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2089","2097","10.1039/b513531a","","","0.71073","MoKα","","0.1258","0.098","","","0.2286","0.2556","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007022","10.513","0.003","16.117","0.004","10.945","0.003","90","","90","","90","","1854.5","0.9","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Cl2 N6 O11 Pt2 -","- C22 H50 Cl2 N6 O11 Pt2 -","- C44 H100 Cl4 N12 O22 Pt4 -","2","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0601","0.0523","","","0.1324","0.1375","","","","","","1.048","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007482","19.617","0.0013","19.7668","0.0014","14.5591","0.001","90","","90","","90","","5645.5","0.7","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","(Yb.DOTAPh)I!3$","[Yb.DOTAPh]I~3~","","- C48 H66 I3 N8 O5 Yb -","- C48 H66 I2.99 N8 O5 Yb -","- C192 H264 I11.96 N32 O20 Yb4 -","4","1","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.1071","0.0734","","","0.1668","0.1942","","","","","","1.139","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007850","7.368","0.003","28.931","0.01","7.214","0.002","90","","90","","90","","1537.8","0.9","168","2","168","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Cmpd6","","","- C26 H30 Ag2 N6 O8 -","- C26 H30 Ag2 N6 O8.33 -","- C52 H60 Ag4 N12 O16.66 -","2","0.5","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. XIV. Control of directionality in silver coordination polymers through ligand design.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4886","4888","10.1039/b611622c","","","0.71073","MoKα","","0.0683","0.0555","","","0.1485","0.156","","","","","","1.058","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7008543","12.0887","0.0017","13.3414","0.0019","11.208","0.0016","90","","90","","90","","1807.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H26 B10 I N -","- C8 H26 B10 I N -","- C32 H104 B40 I4 N4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and structural characterization of mono- and bisfunctional o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2375","2381","10.1039/b504076k","","","0.71073","MoKα","","0.0478","0.0362","","","0.0913","0.0966","","","","","","1.034","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7009476","12.755","0.004","13.169","0.004","5.51","0.001","90","","90","","90","","925.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H10 Mn N6 S4 -","- C14 H10 Mn N6 S4 -","- C28 H20 Mn2 N12 S8 -","2","0.5","","Chen, Hong-Ji; Zhang, Ling-Zhi; Cai, Zhi-Gang; Yang, Guang; Chen, Xiao-Ming","Organic‒inorganic hybrid materials assembled through weak intermolecular interactions. Synthesis, structures and non-linear optical properties of [4,4'-bipyH2][M(NCS)4] (M = Mn2+, Co2+ or Zn2+; 4,4'-bipy = 4,4'-bipyridine)","Journal of the Chemical Society, Dalton Transactions","2000","","14","2463","","10.1039/b001323o","","","0.71073","MoKα","","0.0458","0.0387","","","0.1011","0.1093","","","","","","1.133","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009477","12.858","0.004","13.019","0.002","5.452","0.002","90","","90","","90","","912.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H10 Co N6 S4 -","- C14 H10 Co N6 S4 -","- C28 H20 Co2 N12 S8 -","2","0.5","","Chen, Hong-Ji; Zhang, Ling-Zhi; Cai, Zhi-Gang; Yang, Guang; Chen, Xiao-Ming","Organic‒inorganic hybrid materials assembled through weak intermolecular interactions. Synthesis, structures and non-linear optical properties of [4,4'-bipyH2][M(NCS)4] (M = Mn2+, Co2+ or Zn2+; 4,4'-bipy = 4,4'-bipyridine)","Journal of the Chemical Society, Dalton Transactions","2000","","14","2463","","10.1039/b001323o","","","0.71073","MoKα","","0.0327","0.0291","","","0.0769","0.0787","","","","","","1.175","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009478","12.895","0.007","13.008","0.004","5.458","0.002","90","","90","","90","","915.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H10 N6 S4 Zn -","- C14 H10 N6 S4 Zn -","- C28 H20 N12 S8 Zn2 -","2","0.5","","Chen, Hong-Ji; Zhang, Ling-Zhi; Cai, Zhi-Gang; Yang, Guang; Chen, Xiao-Ming","Organic‒inorganic hybrid materials assembled through weak intermolecular interactions. Synthesis, structures and non-linear optical properties of [4,4'-bipyH2][M(NCS)4] (M = Mn2+, Co2+ or Zn2+; 4,4'-bipy = 4,4'-bipyridine)","Journal of the Chemical Society, Dalton Transactions","2000","","14","2463","","10.1039/b001323o","","","0.71073","MoKα","","0.0629","0.0514","","","0.1378","0.1425","","","","","","1.243","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7010701","10.361","0.001","13.921","0.001","6.847","0.001","90","","90","","90","","987.58","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H21 Mo N2 O12 -","- C12 H21 Mo N2 O12 -","- C24 H42 Mo2 N4 O24 -","2","0.5","","Smith, Paul D.; Cooney, J. Jon A.; McInnes, Eric J. L.; Beddoes, Roy L.; Collison, David; Harben, Spencer M.; Helliwell, Madeleine; Mabbs, Frank E.; Mandel, Alexander; Powell, Annie K.; Garner, C. David","New molybdenum(v) analogues of Amavadin and their redox properties","Journal of the Chemical Society, Dalton Transactions","2001","","20","3108","","10.1039/b102531g","","","0.71073","MoKα","","0.0297","0.0279","","0.076","0.0749","","","","1.098","1.106","1.106","","","","","has coordinates","179811","2020-10-21","18:00:00",""
"7010860","11.8621","0.0001","18.787","0.0003","9.1333","0.0002","90","","90","","90","","2035.39","0.06","293","2","293","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C32.5 H35 Cl3 N2 O4 P2 Pd2 S2 -","- C32.5 H35 Cl3 N2 O4 P2 Pd2 S2 -","- C65 H70 Cl6 N4 O8 P4 Pd4 S4 -","2","0.5","","Zhang, Qingzhi; Slawin, Alexandra M. Z.; Woollins, J. Derek","Chiral palladium complexes from N-diphenylphosphinoamino methyl esters","Journal of the Chemical Society, Dalton Transactions","2001","","24","3598","","10.1039/b104571g","","","0.71073","MoKα","","0.0422","0.0344","","0.1154","0.0875","","","","1.129","1.135","1.135","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011026","17.622","0.004","21.207","0.003","16.001","0.003","90","","90","","90","","5980","2","193.2","","193.2","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C51.5 H65 Cl0.5 F9 N4 O1.5 P3.5 Pd2 -","- C51.5 H56 Cl0.5 F9 N4 O1.5 P3.5 Pd2 -","- C206 H224 Cl2 F36 N16 O6 P14 Pd8 -","4","1","","Justine Bennett; A. David Rae; Geoffrey Salem; Natalie C. Ward; Paul Waring; Kerri Wells; Anthony C. Willis","Synthesis of bis[palladium(II)] and bis[platinum(II)] complexes containing chiral, linear quadridentate ligands with a P2N2 donor set","J. Chem. Soc., Dalton Trans.","2002","","2","234","243","10.1039/b106861j","","","1.5418","CuKα","","0.076","0.06","","0.096","","0.093","","","1.396","","","1.463","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011257","16.8239","0.0013","17.772","0.002","8.217","0.004","90","","90","","90","","2456.8","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","potassium bis-quinato tungstate hydrate","","- C14 H29 K2 O18.5 W -","- C14 H20 K1.999 O18.45 W -","- C56 H80 K7.996 O73.8 W4 -","4","1","","Ramos, M. Luísa; Pereira, Mariette M.; Beja, Ana Matos; Silva, Manuela R.; Paixão, José A.; Gil, Victor M. S.","NMR and X-ray diffraction studies of the complexation of D-(‒)quinic acid with tungsten(vi) and molybdenum(vi)","Journal of the Chemical Society, Dalton Transactions","2002","","10","2126","","10.1039/b109564c","","","0.71073","MoKα","","0.0309","0.0267","","","0.0668","0.0686","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012175","13.992","0.002","39.148","0.007","13.195","0.002","90","","90","","90","","7228","2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C45 H41 B Co N O3 -","- C45 H41 B Co N O3 -","- C360 H328 B8 Co8 N8 O24 -","8","2","","van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils","Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides","Dalton Transactions","2003","","2","210","","10.1039/b208363a","","","0.71073","MoKα","","0.165","0.0713","","0.148","0.1206","","","","0.922","1.121","1.121","","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012363","11.6362","0.0015","13.432","0.003","8.7311","0.001","90","","90","","90","","1364.6","0.4","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","tris(O,O'-nitrato)diaquascandium(III)bis(1,4,7,10-tetraoxacyclododecane)","","- C16 H36 N3 O19 Sc -","- C16 H36 N3 O19 Sc -","- C32 H72 N6 O38 Sc2 -","2","0.5","","Brown, Michael D.; Levason, William; Murray, David C.; Popham, Michael C.; Reid, Gillian; Webster, Michael","Primary and secondary coordination of crown ethers to scandium(iii). Synthesis, properties and structures of the reaction products of ScCl3(thf)3, ScCl3·6H2O and Sc(NO3)3·5H2O with crown ethers","Dalton Transactions","2003","","5","857","","10.1039/b210458j","","","0.71073","MoKα","","0.0601","0.0408","","","0.082","0.0883","","","","","","1.015","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012517","17.6377","0.0003","11.5509","0.0002","12.6251","0.0002","90","","90","","90","","2572.13","0.07","270","2","270","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H82 Li4 O6 -","- C50 H82 Li4 O6 -","- C100 H164 Li8 O12 -","2","0.5","","Chisholm, Malcolm H.; Lin, Chu-Chieh; Gallucci, Judith C.; Ko, Bao-Tsan","Binolate complexes of lithium, zinc, aluminium, and titanium; preparations, structures, and studies of lactide polymerization","Dalton Transactions","2003","","3","406","","10.1039/b211582b","","","0.71073","MoKα","","0.094","0.0783","","0.2498","0.2213","","","","1.048","1.066","1.066","","","","","has coordinates,has disorder","179829","2020-10-21","18:00:00",""
"7012557","19.748","0.004","21.086","0.004","9.499","0.0019","90","","90","","90","","3955.4","1.4","200","2","200","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","(pR,R)-[1-(a-(diphenylphosphanyl)-ethyl)-2-(dicyclohexylphosphanyl)-h6-benzene)Cr(CO)3","","- C42 H48 B Cr F4 O3 P2 Rh -","- C42 H48 B Cr F4 O3 P2 Rh -","- C168 H192 B4 Cr4 F16 O12 P8 Rh4 -","4","1","","Braun, Wolfgang; Salzer, Albrecht; Drexler, Hans-Joachim; Spannenberg, Anke; Heller, Detlef","Investigations into the hydrogenation of diolefins and prochiral olefins employing the ""Daniphos""-type ligands","Dalton Transactions","2003","","8","1606","1613","10.1039/b212095j","","","0.71073","MoKα","","0.0445","0.0345","","","0.0642","0.066","","","","","","0.911","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012590","10.733","0.003","13.387","0.004","5.3953","0.0013","90","","90","","90","","775.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","tricobalt amino bis(methylenephosphonate)","","- C2 H6 Co1.5 N O6 P2 -","- C2 H6 Co1.5 N O6 P2 -","- C8 H24 Co6 N4 O24 P8 -","4","1","","Turner, Adele; Jaffrès, Paul-Alain; MacLean, Elizabeth J.; Villemin, Didier; McKee, Vickie; Hix, Gary B.","Hydrothermal synthesis and crystal structure of two Co phosphonates containing trifunctional phosphonate anions: Co3(O3PCH2NH2CH2PO3)2 and Co3(O3PCH2-NC4H7-CO2)2·5H2O","Dalton Transactions","2003","","7","1314","","10.1039/b212266a","","","0.71073","MoKα","","0.0516","0.0404","","","0.0896","0.0946","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7012647","12.345","0.002","28.136","0.006","7.734","0.002","90","","90","","90","","2686.3","1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C7 H18 Cl2 N2 O3 Pd -","- C7 H16 Cl2 N2 O3 Pd -","- C56 H128 Cl16 N16 O24 Pd8 -","8","2","","Samochocka, K.; Fokt, I.; Anulewicz-Ostrowska, R.; Przewloka, T.; Mazurek, A. P.; Fuks, L.; Lewandowski, W.; Kozerski, L.; Bocian, W.; Bednarek, E.; Lewandowska, H.; Sitkowski, J.; Priebe, W.","Platinum(ii) and palladium(ii) complexes with methyl 3,4-diamino-2,3,4,6-tetradeoxy-?-l-lyxo-hexopyranoside","Dalton Transactions","2003","","11","2177","","10.1039/b212681h","","","0.71073","MoKα","","0.0928","0.074","","","0.1932","0.2114","","","","","","1.098","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012661","10.4945","0.0003","15.3372","0.0004","9.5602","0.0006","90","","90","","90","","1538.77","0.11","149","","149","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H26 Br2 O2 Ti -","- C36 H26 Br2 O2 Ti -","- C72 H52 Br4 O4 Ti2 -","2","0.5","","Eade, Gillian F.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and structure of titanium bromide compounds containing 2,6-diphenylphenoxide ligation; terminal and bridging ligand effects on Ti‒Ti interactions","Dalton Transactions","2003","","6","1061","","10.1039/b212909d","","","0.71073","MO-Kα","","","0.032","","","","0.061","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013003","18.936","0.004","29.495","0.005","11.545","0.002","90","","90","","90","","6448","2","294","2","294","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H42 Cl3 Cr N6 O4.88 -","- C20 H42 Cl3 Cr N6 O4.875 -","- C160 H336 Cl24 Cr8 N48 O39 -","8","2","","Comba, Peter; DeIuliis, Geoffry N.; Lawrance, Geoffrey A.; Luther, Stephan M.; Maeder, Marcel; Nolan, Annette L.; Robertson, Mark J.; Turner, Peter","Geometrical isomerism in octahedral complexes arising from the presence of a fused ring on a triaza macrocycle","Dalton Transactions","2003","","11","2188","","10.1039/b303515h","","","0.71073","MoKα","","0.1134","0.0664","","","0.1773","0.1943","","","","","","1.568","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013331","12.8799","0.0001","9.969","0.0002","11.3691","0.0002","90","","90","","90","","1459.79","0.04","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H34 Cu2 N14 O4 W -","- C16 H16 Cu2 N14 O4 W -","- C32 H32 Cu4 N28 O8 W2 -","2","0.5","","Robert Podgajny; Tomasz Korzeniak; Katarzyna Stadnicka; Yves Dromzée; Nathaniel W. Alcock; William Errington; Krzysztof Kruczała; Maria Bałanda; Terence J. Kemp; Michel Verdaguer; Barbara Sieklucka","Coordination polymers based on octacyanometalates(IV,V)(M = Mo, W) and aliphatic polyamine copper(II) tectons with [N3] donor atom sets","Dalton Trans.","2003","","17","3458","3468","10.1039/b306422k","","","0.71073","MoKα","","0.0473","0.0347","","","0.0735","0.0806","","","","","","1.032","","","","has coordinates,has disorder","179837","2020-10-21","18:00:00",""
"7013332","12.8722","0.0002","9.9763","0.0001","11.3757","0.0002","90","","90","","90","","1460.83","0.04","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H34 Cu2 Mo N14 O4 -","- C16 H26 Cu2 Mo N14 O4 -","- C32 H52 Cu4 Mo2 N28 O8 -","2","0.5","","Robert Podgajny; Tomasz Korzeniak; Katarzyna Stadnicka; Yves Dromzée; Nathaniel W. Alcock; William Errington; Krzysztof Kruczała; Maria Bałanda; Terence J. Kemp; Michel Verdaguer; Barbara Sieklucka","Coordination polymers based on octacyanometalates(IV,V)(M = Mo, W) and aliphatic polyamine copper(II) tectons with [N3] donor atom sets","Dalton Trans.","2003","","17","3458","3468","10.1039/b306422k","","","0.71073","MoKα","","0.0414","0.0355","","","0.0824","0.0857","","","","","","1.073","","","","has coordinates,has disorder","179837","2020-10-21","18:00:00",""
"7013543","14.0859","0.0014","14.462","0.0014","5.0028","0.0005","90","","90","","90","","1019.12","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(2,6‒Bis-trifluoromethyl-phenyl)-boronic acid","(2,6‒Bis-trifluoromethyl-phenyl)-boronic acid","","- C8 H5 B F6 O2 -","- C8 H5 B F6 O2 -","- C32 H20 B4 F24 O8 -","4","1","","Stéphanie M. Cornet; Keith B. Dillon; Christopher D. Entwistle; Mark A. Fox; Andrés E. Goeta; Helen P. Goodwin; Todd B. Marder; Amber L. Thompson","Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF3)3C6H2(fluoromes = Ar), 2,6-(CF3)2C6H3(fluoroxyl = Ar'), or 2,4-(CF3)2C6H3(Ar″) ligands","Dalton Trans.","2003","","23","4395","4405","10.1039/b309820f","","","0.71073","MoKα","","0.0333","0.0305","","","0.0717","0.0735","","","","","","1.122","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7014923","18.657","0.004","24.38","0.005","11.4","0.002","90","","90","","90","","5185.4","1.8","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C76 H124 Co3 N14 O46 -","- C76 H124 Co3 N14 O46 -","- C152 H248 Co6 N28 O92 -","2","0.5","","Chen, Zilu; Liu, Xianlin; Zhang, Chuanbing; Zhang, Zhong; Liang, Fupei","Structure, adsorption and magnetic properties of chiral metal-organic frameworks bearing linear trinuclear secondary building blocks.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1911","1918","10.1039/c0dt01278e","","","0.71073","MoKα","","0.0966","0.0721","","","0.1533","0.1725","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014924","18.663","0.004","24.329","0.005","11.395","0.002","90","","90","","90","","5173.9","1.8","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C76 H124 Co3 N14 O46 -","- C76 H124 Co3 N14 O46 -","- C152 H248 Co6 N28 O92 -","2","0.5","","Chen, Zilu; Liu, Xianlin; Zhang, Chuanbing; Zhang, Zhong; Liang, Fupei","Structure, adsorption and magnetic properties of chiral metal-organic frameworks bearing linear trinuclear secondary building blocks.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1911","1918","10.1039/c0dt01278e","","","0.71073","MoKα","","0.0995","0.0736","","","0.1547","0.1746","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014925","18.495","0.004","24.215","0.005","11.297","0.002","90","","90","","90","","5059.4","1.8","213","2","213","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H108 N14 Ni3 O34 -","- C80 H100 N14 Ni3 O30 -","- C160 H200 N28 Ni6 O60 -","2","0.5","","Chen, Zilu; Liu, Xianlin; Zhang, Chuanbing; Zhang, Zhong; Liang, Fupei","Structure, adsorption and magnetic properties of chiral metal-organic frameworks bearing linear trinuclear secondary building blocks.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1911","1918","10.1039/c0dt01278e","","","0.71073","MoKα","","0.0496","0.0454","","","0.1145","0.1173","","","","","","1.035","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7015060","24.0248","0.0012","35.8255","0.0017","11.7851","0.0006","90","","90","","90","","10143.4","0.9","90","2","90","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C56 H80 N2 Zn -","- C56 H80 N2 Zn -","- C448 H640 N16 Zn8 -","8","2","","Blake, Alexander J.; Lewis, William; McMaster, Jonathan; Moorhouse, Rhiannon S.; Moxey, Graeme J.; Kays, Deborah L.","Amido analogues of zincocenes and cadmocenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1641","1645","10.1039/c0dt01710h","","","0.71073","MoKα","","0.0782","0.0448","","","0.0947","0.114","","","","","","1.04","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015740","28.061","0.006","28.125","0.006","14.303","0.003","90","","90","","90","","11288","4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C154 H218 Dy6 Mn12 N16 O98 -","- C154 H180 Dy6 Mn12 N16 O87 -","- C308 H360 Dy12 Mn24 N32 O174 -","2","0.5","","Zheng, Yong; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Enantiopure sandwich-type nonanuclear Ln(III)3Mn(III)6 clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4035","4037","10.1039/c1dt10044k","","","0.71073","MoKα","","0.058","0.0495","","","0.1243","0.1291","","","","","","1.065","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015741","27.991","0.006","28.123","0.006","14.285","0.003","90","","90","","90","","11245","4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C77 H109 Mn6 N8 O49 Tb3 -","- C77 H91 Mn6 N8 O43 Tb3 -","- C308 H364 Mn24 N32 O172 Tb12 -","4","1","","Zheng, Yong; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Enantiopure sandwich-type nonanuclear Ln(III)3Mn(III)6 clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4035","4037","10.1039/c1dt10044k","","","0.71073","MoKα","","0.0785","0.0651","","","0.1746","0.1819","","","","","","1.036","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7016191","14.99","0.007","23.435","0.007","9.296","0.003","90","","90","","90","","3266","2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C74 H62 Ag2 O6 P4 -","- C74 H62 Ag2 O6 P4 -","- C148 H124 Ag4 O12 P8 -","2","0.5","","Bowmaker, Graham A.; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","Solution and mechanochemical syntheses, and spectroscopic and structural studies in the silver(i) (bi-)carbonate: triphenylphosphine system.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7210","7218","10.1039/c1dt10416k","","","0.71073","MoKα","","0.0443","0.0345","","","0.0638","0.0689","","","","","","1.049","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016364","13.976","0.003","22.955","0.005","10.551","0.002","90","","90","","90","","3385","1.2","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H48 Cl3 N4 Ni O0.5 -","- C31 H48 Cl3 N4 Ni O0.5 -","- C124 H192 Cl12 N16 Ni4 O2 -","4","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","0.71073","MoKα","","0.0668","0.0614","","","0.1476","0.1511","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017030","16.991","0.003","19.586","0.004","11.929","0.002","90","","90","","90","","3969.8","1.3","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C83 H78 Cl2 N6 O12 P4 Rh2 S2 -","- C83 H78 Cl2 N6 O12 P4 Rh2 S2 -","- C166 H156 Cl4 N12 O24 P8 Rh4 S4 -","2","0.5","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0247","0.0236","","","0.0633","0.0678","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017133","28.924","0.003","30.137","0.003","22.814","0.002","90","","90","","90","","19887","3","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C134 H232 N4 Na Ni O116 S4 -","- C134 H232 N4 Na Ni O116 S4 -","- C536 H928 N16 Na4 Ni4 O464 S16 -","4","1","","Cheng, Xian; Lu, Zhenda; Li, Yizhi; Wang, Qi; Lu, Changsheng; Meng, Qingjin","An interesting molecular-assembly of β-cyclodextrin pipelines with embedded hydrophilic nickel maleonitriledithiolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11788","11794","10.1039/c1dt10532a","","","0.71073","MoKα","","0.0764","0.058","","","0.1174","0.1215","","","","","","1.063","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017351","18.167","0.004","26.668","0.005","12.453","0.003","90","","90","","90","","6033","2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64 H44 N8 O10 Zn2 -","- C64 H44 N8 O10 Zn2 -","- C256 H176 N32 O40 Zn8 -","4","1","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.0815","0.0682","","","0.1449","0.1541","","","","","","1.072","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017646","14.233","0.002","17.313","0.003","11.714","0.003","90","","90","","90","","2886.5","1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H26.5 Cd N4.5 O5.5 -","- C18 H13 Cd N3 O4 -","- C72 H52 Cd4 N12 O16 -","4","1","","Wang, Hai-Ning; Meng, Xing; Qin, Chao; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","A series of pillar-layer metal-organic frameworks based on 5-aminoisophthalic acid and 4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1047","1053","10.1039/c1dt11304f","","","0.71069","MoKα","","0.0745","0.0517","","","0.1036","0.111","","","","","","0.916","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017725","11.2398","0.0006","14.8326","0.0007","7.3449","0.0004","90","","90","","90","","1224.51","0.11","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H12 Cd2 N10 S4 -","- C16 H12 Cd2 N10 S4 -","- C32 H24 Cd4 N20 S8 -","2","0.5","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.0524","0.0414","","","0.0625","0.0647","","","","","","1.148","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7019030","12.1202","0.00013","32.9663","0.0004","9.29999","0.0001","90","","90","","90","","3715.89","0.07","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C19.67 H28.33 Cl3.33 Co N3 S2 -","- C19.6667 H28.3333 Cl3.33333 Co N3 S2 -","- C118 H170 Cl20 Co6 N18 S12 -","6","1.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0342","0.0312","","","0.0811","0.0836","","","","","","1.032","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019031","12.2966","0.00006","32.40514","0.00016","8.69965","0.00005","90","","90","","90","","3466.58","0.03","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17.67 H24.33 Cl3.33 Co N3 S2 -","- C17.6667 H24.3333 Cl3.33333 Co N3 S2 -","- C106 H146 Cl20 Co6 N18 S12 -","6","1.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0235","0.0216","","","0.0545","0.0557","","","","","","1.076","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019390","23.942","0.0006","27.0271","0.0006","15.5154","0.0003","90","","90","","90","","10039.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C104 H128 Al2 Fe N14 O20.5 -","- C104 H128 Al2 Fe N14 O20.5 -","- C416 H512 Al8 Fe4 N56 O82 -","4","1","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.0877","0.057","","","0.0558","0.0577","","","","","","1.681","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7019963","28.0789","0.0016","28.1344","0.0013","14.2827","0.0006","90","","90","","90","","11283.1","1","133","2","133","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C77 H109 Mn6 N8 O49 Yb3 -","- C77 H90 Mn6 N7 O40 Yb3 -","- C308 H360 Mn24 N28 O160 Yb12 -","4","1","","Zheng, Yong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Stepwise assembly of homochiral coordination polymers based on the precursor of an enantiopure Yb(3)Mn(6) cluster.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10518","10520","10.1039/c2dt30667k","","","0.71073","MoKα","","0.0543","0.0435","","","0.102","0.1081","","","","","","1.039","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7020166","14.729","0.005","23.56","0.008","9.935","0.003","90","","90","","90","","3448","2","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H30 Cl Co N5 O9 -","- C31 H30 Cl Co N5 O9 -","- C124 H120 Cl4 Co4 N20 O36 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.073","0.0656","","","0.1612","0.1651","","","","","","1.393","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020248","13.1888","0.0011","19.5017","0.0018","5.625","0.0005","90","","90","","90","","1446.8","0.2","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C11 H25 N3 O3 Pd S -","- C11 H25 N3 O3 Pd S -","- C44 H100 N12 O12 Pd4 S4 -","4","1","","Yoshinari, Nobuto; Nagao, Yoshinori; Yokoi, Anzu; Igashira-Kamiyama, Asako; Konno, Takumi","Conversion of D-penicillaminato trinuclear to mononuclear palladium(II) structure by diamine ligands: remarkable enantioselectivity toward racemic 1,2-cyclohexanediamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11259","11262","10.1039/c2dt31076g","","","0.71075","MoKα","","0.0389","0.035","","","0.0763","0.0787","","","","","","1.076","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020270","13.334","0.002","20.437","0.003","11.9421","0.0018","90","","90","","90","","3254.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H46 Fe2 N20 Ni2 O8 -","- C64 H46 Fe2 N20 Ni2 O8 -","- C128 H92 Fe4 N40 Ni4 O16 -","2","0.5","","Krüger, Christoph; Sato, Hiroki; Matsumoto, Takuto; Shiga, Takuya; Newton, Graham N.; Renz, Franz; Oshio, Hiroki","A rectangular Ni-Fe cluster with unusual cyanide bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11270","11272","10.1039/c2dt31152f","","","0.71073","MoKα","","0.0482","0.0395","","","0.0979","0.1024","","","","","","1.043","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020271","13.319","0.002","20.39","0.003","11.9344","0.0018","90","","90","","90","","3241.1","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H44 Fe2 N20 Ni2 O8 -","- C64 H44 Fe2 N20 Ni2 O8 -","- C128 H88 Fe4 N40 Ni4 O16 -","2","0.5","","Krüger, Christoph; Sato, Hiroki; Matsumoto, Takuto; Shiga, Takuya; Newton, Graham N.; Renz, Franz; Oshio, Hiroki","A rectangular Ni-Fe cluster with unusual cyanide bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11270","11272","10.1039/c2dt31152f","","","0.71073","MoKα","","0.0628","0.0498","","","0.1003","0.1039","","","","","","1.002","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020412","27.8377","0.0009","19.8686","0.0012","21.6459","0.0013","90","","90","","90","","11972.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C94 H94 F10.4 I4.27 N4 P5.73 Pd2 -","- C94 H94 F10.392 I4.268 N4 P5.732 Pd2 -","- C376 H376 F41.568 I17.072 N16 P22.928 Pd8 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12395","12407","10.1039/c2dt31475d","","","0.71073","MoKα","","0.1281","0.1023","","","0.2721","0.2961","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020934","29.8354","0.0013","11.8641","0.0005","11.1225","0.0004","90","","90","","90","","3937","0.3","122.3","0.2","122.3","0.2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C40 H37 Cl Cu2 N4 O13 -","- C40 H37 Cl Cu2 N4 O13 -","- C160 H148 Cl4 Cu8 N16 O52 -","4","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.7107","MoKα","","0.1011","0.0791","","","0.1797","0.1975","","","","","","1.035","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7021609","15.996","0.002","16.885","0.002","18.218","0.003","90","","90","","90","","4920.5","1.2","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H144 Br N4 O38 V16 -","- C64 H144 Br N4 O38 V16 -","- C128 H288 Br2 N8 O76 V32 -","2","0.5","","Kato, Naohiro; Hayashi, Yoshihito","Discrete spherical hexadecavanadates incorporating a bromide with oxidative bromination activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11804","11811","10.1039/c3dt50521a","","","0.7107","MoKα","","0.0797","0.0699","","","0.1917","0.2063","","","","","","1.091","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021918","30.6","0.06","7.415","0.014","8.89","0.016","90","","90","","90","","2017","7","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H54 Cu2 N8 O18 -","- C26 H54 Cu2 N8 O18 -","- C52 H108 Cu4 N16 O36 -","2","0.5","","Qin, Xiu Ying; Yang, Li Cong; Le, Fang Ling; Yu, Qian Qian; Sun, Dong Dong; Liu, Ya Nan; Liu, Jie","Structures and anti-cancer properties of two binuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14681","14684","10.1039/c3dt51548f","","","0.71073","MoKα","","0.06","0.0474","","","0.0785","0.0804","","","","","","0.936","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021930","12.843","0.005","17.361","0.005","7.026","0.005","90","0.005","90","0.005","90","0.005","1566.6","1.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H20 N4 P S4 Sb -","- C32 H20 N4 P S4 Sb -","- C64 H40 N8 P2 S8 Sb2 -","2","0.5","","Mitra, Joyee; Pal, Kuntal; Sarkar, Sabyasachi","Second order non-linear optical activity of arsenic and antimony dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13905","13911","10.1039/c3dt51585k","","","0.71069","MoKα","","0.0631","0.042","","","0.0878","0.1273","","","","","","1.188","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022207","11.997","0.014","15.364","0.017","16","0.018","90","","90","","90","","2949","6","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H56 I2 K2 N20 O17 -","- C50 H46 I2 K2 N20 O17 -","- C100 H92 I4 K4 N40 O34 -","2","0.5","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.1331","0.058","","","0.1325","0.155","","","","","","0.932","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022208","15.839","0.007","12.035","0.005","15.133","0.007","90","","90","","90","","2885","2","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H56 N22 O23 Tl2 -","- C50 H54 N22 O23 Tl2 -","- C100 H108 N44 O46 Tl4 -","2","0.5","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.0437","0.0366","","","0.0882","0.091","","","","","","1.04","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022731","20.4","0.002","12.0901","0.0013","4.2614","0.0005","90","","90","","90","","1051","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H15 Cd N6 S4 -","- C17 H16 Cd N6 S4 -","- C34 H32 Cd2 N12 S8 -","2","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6429","6439","10.1039/c3dt32900c","","","0.71073","MoKα","","0.0285","0.0272","","","0.0657","0.0661","","","","","","1.148","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022750","9.1959","0.0005","20.5009","0.0013","9.7022","0.0007","90","","90","","90","","1829.1","0.2","120","2","119.95","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H42 Co N2 O9 -","- C44 H42 Co N2 O9 -","- C88 H84 Co2 N4 O18 -","2","0.5","","Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.","Cobalt lawsone complexes: searching for new valence tautomers.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5462","5470","10.1039/c3dt32968b","","","0.7107","MoKα","","0.1197","0.0808","","","0.1892","0.2144","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023564","18.69","0.002","26.157","0.003","32.885","0.004","90","","90","","90","","16077","3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C134.5 H153 B4 F16 Fe7 N42 O28.5 -","- C134.5 H78 B4 F16 Fe7 N42 O28.5 -","- C538 H312 B16 F64 Fe28 N168 O114 -","4","1","","Shiga, Takuya; Noguchi, Mao; Sato, Hiroki; Matsumoto, Takuto; Newton, Graham N.; Oshio, Hiroki","Triple-stranded ferric helices: a π-π interaction-driven structural hierarchy of Fe5, Fe7, and Fe17 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16185","16193","10.1039/c3dt51480c","","","0.71073","MoKα","","0.0805","0.0658","","","0.1836","0.1934","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023571","14.6401","0.0008","9.7411","0.0005","11.2213","0.0006","90","","90","","90","","1600.28","0.15","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H28 Cd3 N4 O22 -","- C24 H28 Cd3 N4 O22 -","- C48 H56 Cd6 N8 O44 -","2","0.5","","Guo, Beibei; Li, Li; Wang, Yang; Zhu, Yanyan; Li, Gang","Construction of a series of coordination polymers from three imidazole-based multi-carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14268","14280","10.1039/c3dt51486b","","","0.71073","MoKα","","0.0272","0.0261","","","0.0692","0.07","","","","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023997","11.7511","0.0013","4.9808","0.0005","8.9689","0.0011","90","","90","","90","","524.95","0.1","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","","","- C4 H4 Cu O6 -","- C4 H4 Cu O6 -","- C16 H16 Cu4 O24 -","4","1","","Liu, Yen-Hsiang; Lee, Szu-Hsuan; Chiang, Jung-Chun; Chen, Po-Chen; Chien, Po-Hsiu; Yang, Chen-I","Dehydration induced 2D-to-3D crystal-to-crystal network re-assembly and ferromagnetism tuning within two chiral copper(ii)-tartrate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16857","16867","10.1039/c3dt52330f","","x-ray","0.71073","MoKα","","0.0495","0.0368","","","0.0751","0.0788","","","","","","1.027","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024093","12.3349","0.0004","19.2381","0.0006","9.7406","0.0003","90","","90","","90","","2311.44","0.13","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Cs6 Ge H18 O44 W10 -","- Cs6 Ge O44 W10 -","- Cs12 Ge2 O88 W20 -","2","0.5","","Reinoso, Santiago; Piedra-Garza, Luis Fernando; Dickman, Michael H.; Praetorius, Antonia; Biesemans, Monique; Willem, Rudolph; Kortz, Ulrich","Trilacunary A-beta-Keggin tungstogermanates and -silicates functionalized with phenyltin(IV) electrophiles.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","248","255","10.1039/b910889k","","","0.71073","MoKα","","0.0494","0.0443","","","0.1132","0.1172","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024860","22.7824","0.0011","23.0693","0.001","10.9145","0.0005","90","","90","","90","","5736.4","0.5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C55 H66 K N8 O5.5 U -","- C55 H66 K N8 O5.5 U -","- C220 H264 K4 N32 O22 U4 -","4","1","","Arnold, Polly L.; Patel, Dipti; Pécharman, Anne-Frédérique; Wilson, Claire; Love, Jason B.","Equatorial ligand substitution by hydroxide in uranyl Pacman complexes of a Schiff-base pyrrole macrocycle.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3501","3508","10.1039/b922115h","","","0.71073","MoKα","","0.0542","0.0526","","","0.1366","0.1384","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025057","16.9107","0.0006","12.8825","0.0004","7.3322","0.0002","90","","90","","90","","1597.34","0.09","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C34 H36 Co N2 O10 P -","- C34 H36 Co N2 O10 P -","- C68 H72 Co2 N4 O20 P2 -","2","0.5","","Chmel, Nikola Paul; Howson, Suzanne E.; Allan, Laura E. N.; Barker, James; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","Organic-soluble optically pure anionic metal complexes PPh4[M(III)(S,S-EDDS)].2H2O (M = Fe, Co, Cr).","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2919","2927","10.1039/b924787d","","","0.71073","MoKα","","0.0379","0.0303","","","0.0735","0.0759","","","","","","1.045","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025059","12.8761","0.0003","17.2456","0.0004","7.4186","0.0002","90","","90","","90","","1647.35","0.07","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C34 H36 Fe N2 O10 P -","- C34 H36 Fe N2 O10 P -","- C68 H72 Fe2 N4 O20 P2 -","2","0.5","","Chmel, Nikola Paul; Howson, Suzanne E.; Allan, Laura E. N.; Barker, James; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","Organic-soluble optically pure anionic metal complexes PPh4[M(III)(S,S-EDDS)].2H2O (M = Fe, Co, Cr).","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2919","2927","10.1039/b924787d","","","0.71073","MoKα","","0.0529","0.0331","","","0.0649","0.0679","","","","","","0.924","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025060","12.7168","0.0003","16.9853","0.0005","7.37","0.0002","90","","90","","90","","1591.91","0.07","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C34 H36 Cr N2 O10 P -","- C34 H36 Cr N2 O10 P -","- C68 H72 Cr2 N4 O20 P2 -","2","0.5","","Chmel, Nikola Paul; Howson, Suzanne E.; Allan, Laura E. N.; Barker, James; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","Organic-soluble optically pure anionic metal complexes PPh4[M(III)(S,S-EDDS)].2H2O (M = Fe, Co, Cr).","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2919","2927","10.1039/b924787d","","","0.71073","MoKα","","0.0363","0.0309","","","0.0673","0.0688","","","","","","0.991","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025542","11.5817","0.0005","47.577","0.002","5.1514","0.0002","90","","90","","90","","2838.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","ZnPO-CJ41","","","- C18 H29 N9 O15 P2 Zn3 -","- C18 H29 N9 O15 P2 Zn3 -","- C72 H116 N36 O60 P8 Zn12 -","4","1","","Dong, Zhaojun; Zhao, Lang; Liang, Zhiqiang; Chen, Peng; Yan, Yan; Li, Jiyang; Yu, Jihong; Xu, Ruren","[Zn(HPO(3))(C(11)N(2)O(2)H(12))] and [Zn(3)(H(2)O)(PO(4))(HPO(4))(C(6)H(9)N(3)O(2))(2) (C(6)H(8)N(3)O(2))]: homochiral zinc phosphite/phosphate networks with biofunctional amino acids.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5439","5445","10.1039/c001621g","","","0.71073","MoKα","","0.0974","0.0524","","","0.0811","0.0916","","","","","","0.849","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7026058","16.9519","0.0019","6.6137","0.0007","12.0312","0.0013","90","","90","","90","","1348.9","0.3","130","2","130","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H11 Au Cl N5 O6 -","- C8 H11 Au Cl N5 O6 -","- C32 H44 Au4 Cl4 N20 O24 -","4","1","","Rychlewska, Urszula; Warzajtis, Beata; Glisić, Biljana D; Zivković, Marija D; Rajković, Snezana; Djuran, Milos I.","Monocationic gold(III) Gly-L-His and L-Ala-L-His dipeptide complexes: crystal structures arising from solvent free and solvent-containing crystal formation and structural modifications tuned by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8906","8913","10.1039/c0dt00163e","","","0.71073","MoKα","","0.0812","0.0539","","","0.1229","0.1295","","","","","","1.181","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026059","18.0271","0.0006","7.0547","0.0002","13.547","0.0004","90","","90","","90","","1722.85","0.09","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C9 H18 Au Cl N5 O8.5 -","- C9 H13 Au Cl N5 O8.5 -","- C36 H52 Au4 Cl4 N20 O34 -","4","1","","Rychlewska, Urszula; Warzajtis, Beata; Glisić, Biljana D; Zivković, Marija D; Rajković, Snezana; Djuran, Milos I.","Monocationic gold(III) Gly-L-His and L-Ala-L-His dipeptide complexes: crystal structures arising from solvent free and solvent-containing crystal formation and structural modifications tuned by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8906","8913","10.1039/c0dt00163e","","","0.71073","MoKα","","0.0363","0.0272","","","0.0618","0.0633","","","","","","0.965","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7026785","10.6193","0.0015","21.194","0.003","9.5464","0.0014","90","","90","","90","","2148.6","0.5","294","2","294","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C19 H17 F3 Fe2 O6 S -","- C19 H17 F3 Fe2 O6 S -","- C76 H68 F12 Fe8 O24 S4 -","4","1","","Boni, Adriano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Cationic diiron and diruthenium μ-allenyl complexes: synthesis, X-ray structures and cyclization reactions with ethyldiazoacetate/amine affording unprecedented butenolide- and furaniminium-substituted bridging carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10866","10875","10.1039/c0dt00697a","","","0.71073","MoKα","","0.1059","0.0517","","","0.1066","0.1325","","","","","","1.083","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7027402","14.116","0.015","14.142","0.015","9.143","0.009","90","","90","","90","","1825","3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H48 I2 Mo O7 P2 -","- C23 H48 I2 Mo O7 P2 -","- C46 H96 I4 Mo2 O14 P4 -","2","0.5","","Baker, Paul K.; Drew, Michael G. B.; Evans, Deborah S.; Johans, Archie W.; Meehan, Margaret M.","Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands","Journal of the Chemical Society, Dalton Transactions","1999","","15","2541","","10.1039/a902224d","","","0.71073","MoKα","","0.084","0.0651","","","0.1733","0.1898","","","","","","0.823","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027403","14.079","0.015","14.072","0.015","9.146","0.009","90","","90","","90","","1812","3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H48 I2 O7 P2 W -","- C23 H48 I2 O7 P2 W -","- C46 H96 I4 O14 P4 W2 -","2","0.5","","Baker, Paul K.; Drew, Michael G. B.; Evans, Deborah S.; Johans, Archie W.; Meehan, Margaret M.","Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands","Journal of the Chemical Society, Dalton Transactions","1999","","15","2541","","10.1039/a902224d","","","0.71073","MoKα","","0.0456","0.0427","","","0.1206","0.1258","","","","","","0.71","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027824","11.0695","0.0004","11.4615","0.0006","13.8026","0.0007","90","","90","","90","","1751.18","0.14","193","","193","","","","","","","","see text","6","P 21 21 2","P 2 2ab","18","","","","- C23 H54 N4 O2 Si4 Y -","- C23 H54 N4 O2 Si4 Y -","- C46 H108 N8 O4 Si8 Y2 -","2","0.5","","Görlitzer, Hans W.; Spiegler, Michael; Anwander, Reiner","C2-symmetric bis(oxazolinato) complexes of yttrium and lanthanum † ‡","Journal of the Chemical Society, Dalton Transactions","1999","","24","4287","","10.1039/a908313h","","","0.71073","MoKα","","0.0581","0.0576","","","0.1439","0.1441","","","","","","1.207","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027839","15.668","0.002","28.485","0.003","12.696","0.002","90","","90","","90","","5666.3","1.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","bistriphenylphospine-bis{(dimethyl-L-tartrate)boryl} platinum toluene solvate","","- C58.5 H58 B2 O12 P2 Pt -","- C58.5 H57.5 B2 O12 P2 Pt -","- C234 H230 B8 O48 P8 Pt4 -","4","1","","Clegg, William; Johann, Thorsten R. F.; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Peakman, Torren M.; Quayle, Michael J.; Rice, Craig R.; Scott, Andrew J.","Platinum-catalysed 1,4-diboration of 1,3-dienes","Journal of the Chemical Society, Dalton Transactions","1998","","9","1431","","10.1039/a800108a","","","0.71073","MoKα","","0.0812","0.0442","","0.0867","0.0753","","","","1.049","1.09","1.09","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028008","12.226","0.001","22.511","0.001","7.215","0.001","90","","90","","90","","1985.7","0.3","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C18 H40 B20 Mo2 N2 O4 S4 -","- C20.32 H40 B20 Mo2 O4 S4 -","- C40.64 H80 B40 Mo4 O8 S8 -","2","0.5","","McKinney, James D.; Chen, Hongli; Hamor, Thomas A.; Paxton, Keith; Jones, Christopher J.","Transition metal complexes containing the 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand: crystal structures of [4-MeC5H4NMe]2[Pd(S2C2B10H10)I2], [NEt3H][Mo(η5-C5H5)(NO)(S2C2B10H10)I], [NBu4][Re(O)(S2C2B10H10)2] and [4-MeC5H4NMe]2[{Mo(O)(μ-O)(S2C2B10H10)}2]","Journal of the Chemical Society, Dalton Transactions","1998","","13","2163","","10.1039/a802446d","","","0.7107","MoKa","","0.0355","0.0345","","0.0869","0.0856","","","","1.064","1.057","1.057","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028835","21.6201","0.0006","29.5433","0.0009","5.0964","0.0002","90","","90","","90","","3255.22","0.19","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H26 Cl2 Hg N4 O4 -","- C32 H26 Cl2 Hg N4 O4 -","- C128 H104 Cl8 Hg4 N16 O16 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.0732","0.0514","","","0.1271","0.1372","","","","","","1.029","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7029035","38.8251","0.0002","17.6702","0.0002","19.4001","0.0005","90","","90","","90","","13309.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C280 H200 Mn19 O80 -","- C280 H200 Mn19 O80 -","- C560 H400 Mn38 O160 -","2","0.5","","Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz","Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3048","3051","10.1039/c3dt53211a","","","0.71073","MoKα","","0.0844","0.0768","","","0.1549","0.159","","","","","","1.165","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029061","10.6824","0.001","15.2673","0.0013","9.6381","0.0007","90","","90","","90","","1571.9","0.2","203","2","203","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Λ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0618","0.0478","","","0.1091","0.1177","","","","","","1.064","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029062","10.7155","0.0005","15.2302","0.0008","9.5786","0.0005","90","","90","","90","","1563.22","0.14","95","2","95","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Λ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0325","0.031","","","0.0846","0.0853","","","","","","1.07","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029063","10.6662","0.0016","15.3354","0.0019","9.764","0.003","90","","90","","90","","1597.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Δ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0977","0.0874","","","0.2159","0.2297","","","","","","1.099","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029064","10.6477","0.0014","15.3321","0.0015","9.7742","0.0019","90","","90","","90","","1595.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Δ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0558","0.0457","","","0.1136","0.1198","","","","","","1.013","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029160","7.6423","0.0004","24.3583","0.0015","6.3921","0.0004","90","","90","","90","","1189.91","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H12 Cu N2 O6 -","- C10 H12 Cu N2 O6 -","- C40 H48 Cu4 N8 O24 -","4","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0297","0.0265","","","0.0598","0.0607","","","","","","1.07","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029764","12.162","0.003","15.55","0.004","4.2446","0.0011","90","","90","","90","","802.7","0.4","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H15 N8 -","- C17 H15 N8 -","- C34 H30 N16 -","2","0.5","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.0909","0.0594","","","0.1143","0.1254","","","","","","0.999","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029952","15.032","0.012","15.651","0.013","6.587","0.005","90","","90","","90","","1550","2","120","2","120","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C19 H32 Cl6 N4 O4 Pt2 S2 -","- C19 H32 Cl6 N4 O4 Pt2 S2 -","- C38 H64 Cl12 N8 O8 Pt4 S4 -","2","0.5","","Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12839","12846","10.1039/c2dt31740k","","","0.6889","synchrotron","","0.1186","0.0797","","","0.1932","0.2144","","","","","","1.063","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7031273","13.7778","0.0016","14.062","0.003","10.594","0.003","90","","90","","90","","2052.5","0.8","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H48 Al2 Na2 O12 -","- C36 H48 Al2 Na2 O12 -","- C72 H96 Al4 Na4 O24 -","2","0.5","","Muñoz, M Teresa; Cuenca, Tomás; Mosquera, Marta E. G.","Heterometallic aluminates: alkali metals trapped by an aluminium aryloxide claw.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14377","14385","10.1039/c4dt00952e","","","0.71073","MoKα","","0.0838","0.0505","","","0.1392","0.1577","","","","","","1.032","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031353","21.0141","0.0006","21.6688","0.0008","8.1686","0.0003","90","","90","","90","","3719.6","0.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C38 H44 Cu2 F6 Li2 N2 -","- C38 H44 Cu2 F6 Li2 N2 -","- C152 H176 Cu8 F24 Li8 N8 -","4","1","","Bomparola, Roberta; Davies, Robert P.; Hornaeur, Stefan; White, Andrew J. P.","Lithium heterocuprates: the influence of the amido group on organoamidocuprate structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14359","14367","10.1039/c4dt00965g","","x-ray","0.71073","MoKα","","0.0866","0.0603","","","0.1301","0.1438","","","","","","1.045","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031491","18.391","0.0014","22.507","0.0017","13.802","0.001","90","","90","","90","","5713","0.7","123","","123","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C58.7 H67.4 Cl1.4 Cu2 N2 O4 -","- C58.7 H67.4 Cl1.4 Cu2 N2 O4 -","- C234.8 H269.6 Cl5.6 Cu8 N8 O16 -","4","1","","Zhang, Guoqi; Proni, Gloria; Zhao, Sherry; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Chiral tetranuclear and dinuclear copper(ii) complexes for TEMPO-mediated aerobic oxidation of alcohols: are four metal centres better than two?","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12313","12320","10.1039/c4dt01224k","","","0.71073","MoKα","","0.0483","0.0403","","0.0465","0.0436","0.0425","","","","","","1.0844","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031976","17.7988","0.0007","22.978","0.001","7.6967","0.0003","90","","90","","90","","3147.8","0.2","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C32.5 H34 Cl3 Ir N O2 P -","- C32.5 H33 Cl3 Ir N O2 P -","- C130 H132 Cl12 Ir4 N4 O8 P4 -","4","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71069","MoKα","","0.0265","0.0251","","","0.0529","0.0533","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7035355","9.994","0.0003","18.5146","0.0006","4.97201","0.00018","90","","90","","90","","920","0.05","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H16 As2 Br2 -","- C18 H16 As2 Br2 -","- C36 H32 As4 Br4 -","2","0.5","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.0729","0.0384","","","0.0653","0.0913","","","","","","1.157","","","","has coordinates","161320","2020-10-21","18:00:00",""
"7035356","9.9977","0.0004","18.5103","0.0008","4.96616","0.00017","90","","90","","90","","919.04","0.06","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H16 As2 Br2 -","- C18 H16 As2 Br2 -","- C36 H32 As4 Br4 -","2","0.5","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.0588","0.0262","","","0.0468","0.074","","","","","","1.225","","","","has coordinates","161320","2020-10-21","18:00:00",""
"7035414","10.33","0.0003","10.3823","0.0004","12.3413","0.0005","90","","90","","90","","1323.59","0.08","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C12 H28 As2 F7 Ga4 N4 O14 -","- C12 H28 As2 F7 Ga4 N4 O14 -","- C24 H56 As4 F14 Ga8 N8 O28 -","2","0.5","","Marshall, Kayleigh L.; Armstrong, Jennifer A.; Weller, Mark T.","Gallium fluoroarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12804","12811","10.1039/c5dt01094b","","","1.54184","CuKα","","0.0552","0.0525","","","0.1351","0.1379","","","","","","1.034","","","","has coordinates","143701","2020-10-21","18:00:00",""
"7036331","16.522","0.002","17.526","0.002","11.2185","0.0015","90","","90","","90","","3248.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N^1^,N^1^,N^2^,N^2^-tetraisopropyl-1,2-bis(2,2,6,6-tetramethylpiperidin-1-yl)-diphosphane-1,2-diamine","","- C30 H64 N4 P2 -","- C30 H64 N4 P2 -","- C120 H256 N16 P8 -","4","1","","Blum, M.; Puntigam, O.; Plebst, S.; Ehret, F.; Bender, J.; Nieger, M.; Gudat, D.","On the energetics of P-P bond dissociation of sterically strained tetraamino-diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1987","1997","10.1039/c5dt02854j","","","0.71073","MoKα","","0.1469","0.0668","","","0.1002","0.1229","","","","","","0.991","","","","has coordinates","176074","2020-10-21","18:00:00",""
"7037003","21.735","0.002","23.205","0.002","10.5286","0.001","90","","90","","90","","5310.2","0.8","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Th(TPO)Cl2","Thorium Caroboxylate","","- C21 H12 Cl2 O7 P Th -","- C21 H12 Cl2 O7 P Th -","- C84 H48 Cl8 O28 P4 Th4 -","4","1","","Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Liu, Yunhai; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Centrosymmetric and chiral porous thorium organic frameworks exhibiting uncommon thorium coordination environments.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20867","20873","10.1039/c5dt03363b","","","0.71073","MoKα","","0.0793","0.0632","","","0.181","0.1956","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037675","18.8813","0.0005","19.5703","0.0006","10.288","0.0003","90","","90","","90","","3801.55","0.19","294","","294","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H39 Cd2 I N3 O14 -","- C32 H22 Cd2 I N3 O14 -","- C128 H88 Cd8 I4 N12 O56 -","4","1","","Yang, Xiao-Dong; Chen, Cheng; Zhang, Ya-Jun; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Halogen-bridged metal-organic frameworks constructed from bipyridinium-based ligand: structures, photochromism and non-destructive readout luminescence switching.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4522","4527","10.1039/c5dt04539h","","","1.54178","CuKα","","0.063","0.0581","","","0.1613","0.1667","","","","","","1.054","","","","has coordinates","181686","2020-10-21","18:00:00",""
"7037676","18.8289","0.0004","19.1993","0.0003","10.2457","0.0002","90","","90","","90","","3703.84","0.12","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H39 Br Cd2 N3 O14 -","- C32 H22 Br Cd2 N3 O14 -","- C128 H88 Br4 Cd8 N12 O56 -","4","1","","Yang, Xiao-Dong; Chen, Cheng; Zhang, Ya-Jun; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Halogen-bridged metal-organic frameworks constructed from bipyridinium-based ligand: structures, photochromism and non-destructive readout luminescence switching.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4522","4527","10.1039/c5dt04539h","","","1.54178","CuKα","","0.0435","0.0415","","","0.1132","0.1153","","","","","","1.083","","","","has coordinates","181686","2020-10-21","18:00:00",""
"7037748","10.7074","0.0003","28.5474","0.0008","8","0.0002","90","","90","","90","","2445.35","0.11","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H21 Mn2 N O13.5 -","- C21 H20 Mn2 N O13.5 -","- C84 H80 Mn8 N4 O54 -","4","1","","Yue, Qi; Wang, Na-Na; Guo, Shao-Yun; Liang, Lu-Lu; Gao, En-Qing","Homochiral and heterochiral Mn(ii) coordination frameworks: spontaneous resolution dependent on dipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1335","1338","10.1039/c5dt04385a","","","0.71073","MoKα","","0.039","0.0363","","","0.0824","0.0834","","","","","","1.179","","","","has coordinates","176033","2020-10-21","18:00:00",""
"7039549","32.214","0.011","11.964","0.008","15.575","0.014","90","","90","","90","","6003","7","200","2","200","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H77 Al2 D6 K2 N4 O2 -","- C52 H64 Al2 K2 N4 O2 -","- C208 H256 Al8 K8 N16 O8 -","4","1","","Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.","Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10514","10518","10.1039/c6dt02116f","","x-ray","0.71073","MoKα","","0.1572","0.0998","","","0.2245","0.2563","","","","","","1.014","","","","has coordinates","185352","2020-10-21","18:00:00",""
"7039550","11.9997","0.0017","32.297","0.009","15.606","0.007","90","","90","","90","","6048","3","200","2","200","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H77 Al2 D6 K2 N4 O2 -","- C52 H64 Al2 K2 N4 O2 -","- C208 H256 Al8 K8 N16 O8 -","4","1","","Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.","Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10514","10518","10.1039/c6dt02116f","","","0.71073","MoKα","","0.1028","0.079","","","0.206","0.2251","","","","","","1.011","","","","has coordinates","185352","2020-10-21","18:00:00",""
"7039551","31.579","0.005","11.8642","0.0011","15.4746","0.0014","90","","90","","90","","5797.7","1.2","200","2","200","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C56.5 H64 Al2 D15 K2 N4 O2 -","- C53 H60 Al2 D15 K2 N4 O2 -","- C212 H240 Al8 D60 K8 N16 O8 -","4","1","","Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.","Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10514","10518","10.1039/c6dt02116f","","","0.71073","MoKα","","0.082","0.0584","","","0.1398","0.154","","","","","","1.045","","","","has coordinates","185352","2020-10-21","18:00:00",""
"7039810","7.5244","0.0015","34.353","0.007","6.3569","0.0013","90","","90","","90","","1643.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C38 H30 N6 O7 Zn -","- C38 H30 N6 O7 Zn -","- C76 H60 N12 O14 Zn2 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang","Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12352","12361","10.1039/c6dt02312f","","","0.71073","MoKα","","0.068","0.0461","","","0.1117","0.1216","","","","","","1.06","","","","has coordinates","185471","2020-10-21","18:00:00",""
"7039928","19.426","0.006","9.389","0.003","10.942","0.004","90","","90","","90","","1995.7","1.1","298","2","298","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C34 H36 B2 F8 Fe N14 O3 -","- C34 H34 B2 F8 Fe N14 O3 -","- C68 H68 B4 F16 Fe2 N28 O6 -","2","0.5","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.1024","0.084","","","0.2182","0.2389","","","","","","1.031","","","","has coordinates,has disorder","187056","2020-10-21","18:00:00",""
"7040092","17.4802","0.001","19.3568","0.0011","7.4057","0.0004","90","","90","","90","","2505.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C25 H34 N O4 Rh S -","- C25 H34 N O4 Rh S -","- C100 H136 N4 O16 Rh4 S4 -","4","1","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.0557","0.0434","","","0.0993","0.1064","","","","","","0.985","","","","has coordinates,has disorder","187111","2020-10-21","18:00:00",""
"7040155","14.8605","0.0015","21.329","0.002","8.3041","0.001","90","","90","","90","","2632.1","0.5","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C27 H22 B Cl2 Co F5 N4 -","- C27 H22 B Cl2 Co F5 N4 -","- C108 H88 B4 Cl8 Co4 F20 N16 -","4","1","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.0779","0.0643","","","0.1162","0.1212","","","","","","1.098","","","","has coordinates","186401","2020-10-21","18:00:00",""
"7040577","11.451","0.002","11.555","0.002","20.572","0.004","90","","90","","90","","2722","0.9","200","","200","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C55.47 H61.93 Cl0.93 F6 Mn N2 O4 Sb -","- C55.43 H61.86 Cl0.86 F6 Mn N2 O4 Sb -","- C110.86 H123.72 Cl1.72 F12 Mn2 N4 O8 Sb2 -","2","0.5","","Lecarme, Laureline; Chiang, Linus; Moutet, Jules; Leconte, Nicolas; Philouze, Christian; Jarjayes, Olivier; Storr, Tim; Thomas, Fabrice","The structure of a one-electron oxidized Mn(iii)-bis(phenolate)dipyrrin radical complex and oxidation catalysis control via ligand-centered redox activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16325","16334","10.1039/c6dt02163h","","x-ray","0.71073","MoKα","","0.0901","0.0853","","","0.212","0.2148","","","","","","1.221","","","","has coordinates,has disorder","188167","2020-10-21","18:00:00",""
"7040700","16.256","0.002","17.197","0.002","7.1761","0.001","90","","90","","90","","2006.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H60 Cd2 N6 O15 -","- C30 H60 Cd2 N6 O15 -","- C60 H120 Cd4 N12 O30 -","2","0.5","","Mandal, Leena; Majumder, Samit; Mohanta, Sasankasekhar","Syntheses, crystal structures and steady state and time-resolved fluorescence properties of a PET based macrocycle and its dinuclear Zn(II)/Cd(II)/Hg(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17365","17381","10.1039/c6dt02631a","","","0.71073","MoKα","","0.0451","0.0312","","","0.0685","0.0736","","","","","","1.024","","","","has coordinates","188198","2020-10-21","18:00:00",""
"7040766","18.9942","0.0004","18.2174","0.0004","10.5733","0.0002","90","","90","","90","","3658.63","0.13","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H41 Al B Cl5 N2 -","- C32 H41 Al B Cl5 N2 -","- C128 H164 Al4 B4 Cl20 N8 -","4","1","","Lawson, James R.; Wilkins, Lewis C.; André, Manon; Richards, Emma C.; Ali, Mohammed N.; Platts, James A.; Melen, Rebecca L.","Synthesis and reactivity of N,N'-1,4-diazabutadiene derived borocations.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16177","16181","10.1039/c6dt03360a","","","0.71073","MoKα","","0.0418","0.035","","","0.0811","0.0843","","","","","","1.023","","","","has coordinates","188153","2020-10-21","18:00:00",""
"7041317","13.7058","0.001","14.2753","0.001","10.326","0.0007","90","","90","","90","","2020.3","0.2","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu N4 O8 -","- C18 H22 Cu N4 O8 -","- C72 H88 Cu4 N16 O32 -","4","1","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.02","0.0192","","","0.0517","0.0525","","","","","","1.065","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7041433","11.091","0.006","21.203","0.012","9.34","0.005","90","","90","","90","","2196","2","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Er F6 O20 P7 -","- C22 H46 Co2 Er F6 O20 P7 -","- C44 H92 Co4 Er2 F12 O40 P14 -","2","0.5","","Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop","Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","739","744","10.1039/c6dt04326g","","","0.71073","MoKα","","0.0587","0.053","","","0.1379","0.1425","","","","","","1.058","","","","has coordinates","191647","2020-10-21","18:00:00",""
"7041434","11.1145","0.0002","21.3469","0.0003","9.3287","0.0001","90","","90","","90","","2213.33","0.06","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 F6 Gd O20 P7 -","- C22 H46 Co2 F6 Gd O20 P7 -","- C44 H92 Co4 F12 Gd2 O40 P14 -","2","0.5","","Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop","Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","739","744","10.1039/c6dt04326g","","","0.71073","MoKα","","0.0355","0.0302","","","0.0715","0.0757","","","","","","1.045","","","","has coordinates","191647","2020-10-21","18:00:00",""
"7041884","10.7556","0.0008","14.6395","0.0011","24.3304","0.0018","90","","90","","90","","3831","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C124 H216 K8 N16 O9 Zn8 -","- C124 H216 K8 N16 O9 Zn8 -","- C124 H216 K8 N16 O9 Zn8 -","1","0.25","","Guo, Zhiqiang; Wang, Yakong; Cao, Wei; Chao, Jianbin; Wei, Xuehong","Structural diversity of alkali-metal (Li, Na, K) alkyl zincates containing bidentate aminopyrrolyl ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2765","2769","10.1039/c7dt00052a","","","0.71073","MoKα","","0.1134","0.0767","","","0.1638","0.1852","","","","","","1.074","","","","has coordinates","193840","2020-10-21","18:00:00",""
"7042293","8.716","0.002","23.262","0.006","6.4438","0.0014","90","","90","","90","","1306.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H27 F4 N P2 -","- C31 H27 F4 N P2 -","- C62 H54 F8 N2 P4 -","2","0.5","","Szkop, Kevin M.; Stephan, Douglas W.","Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3921","3928","10.1039/c7dt00441a","","","0.71073","MoKα","","0.0916","0.0535","","","0.0849","0.096","","","","","","1.012","","","","has coordinates","195136","2020-10-21","18:00:00",""
"7042809","16.8249","0.0014","24.919","0.002","12.1149","0.001","90","","90","","90","","5079.3","0.7","200","2","200","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H38 F6 N8 O13 Re2 S2 -","- C44 H38 F6 N8 O13 Re2 S2 -","- C176 H152 F24 N32 O52 Re8 S8 -","4","1","","Richeson, Darrin; Rao, Gyandshwar Kumar; Jamshidi, Mohammad Parsa; Dawkins, Jeremy; Pell, Wendy; Korobkov, Ilia","Electrocatalytic Generation of H2 from Neutral Water in Acetonitrile Using Manganese Polypyridyl Complexes with Ligand Assistance","Dalton Trans.","2017","","","","","10.1039/C7DT01039G","","","0.71073","MoKα","","0.0319","0.0248","","","0.0545","0.057","","","","","","1.015","","","","has coordinates,has disorder","195772","2020-10-21","18:00:00",""
"7043058","12.0671","0.0005","32.4681","0.0014","12.0173","0.0005","90","","90","","90","","4708.3","0.3","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C53 H38.5 B2.5 Cl F5 N15 -","- C53 H38.5 B2.5 Cl F5 N15 -","- C212 H154 B10 Cl4 F20 N60 -","4","1","","Trommenschlager, Audrey; Chotard, Florian; Bertrand, Benoît; Amor, Souheila; Dondaine, Lucile; Picquet, Michel; Richard, Philippe; Bettaeib, Ali; Le Gendre, Pierre; Paul, Catherine; Goze, Christine; Bodio, Ewen","Gold(I)-BODIPY-imidazole bimetallic complexes as new potential anti-inflammatory and anticancer trackable agents","Dalton Trans.","2017","","","","","10.1039/C7DT01377A","","x-ray","0.71073","MoKα","K-L~3~","0.0685","0.0538","","","0.13","0.138","","","","","","1.071","","","","has coordinates,has disorder","196890","2020-10-21","18:00:00",""
"7044128","19.647","0.001","16.484","0.002","8.9926","0.0009","90","","90","","90","","2912.4","0.5","250","","250","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H52 Fe N8 -","- C22 H52 Fe N8 -","- C88 H208 Fe4 N32 -","4","1","","Soussi, Khaled; Mishra, Shashank; Jeanneau, Erwann; Millet, Jean-Marc M; Daniele, Stephane","Asymmetrically substituted triazenes as poor electron donor ligands in the precursor chemistry of iron(II) for iron-based metallic and intermetallic nanocrystals","Dalton Trans.","2017","","","","","10.1039/C7DT02755A","","x-ray","1.54184","CuKα","","0.135","0.1143","","0.2574","0.2187","0.2574","","","","","","0.9885","","","","has coordinates","200263","2020-10-21","18:00:00",""
"7044302","13.6426","0.0011","28.025","0.002","17.53","0.0014","90","","90","","90","","6702.3","0.9","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H41 Cl4 N5 O0.5 U -","- C31 H41 Cl4 N5 O0.5 U -","- C248 H328 Cl32 N40 O4 U8 -","8","2","","Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten","Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments","Dalton Trans.","2017","","","","","10.1039/C7DT02947K","","","0.71073","MoKα","","0.0377","0.0254","","","0.0469","0.0494","","","","","","1.016","","","","has coordinates","201160","2020-10-21","18:00:00",""
"7045044","14.8167","0.0005","21.1134","0.0007","9.207","0.0005","90","","90","","90","","2880.2","0.2","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","trisphenylantimony-bis(R-mandelate)","","- C34 H29 O6 Sb -","- C34 H29 O6 Sb -","- C136 H116 O24 Sb4 -","4","1","","Duffin, Rebekah N.; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Comparative stability, toxicity and anti-leishmanial activity of triphenyl antimony(v) and bismuth(v) α-hydroxy carboxylato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","971","980","10.1039/c7dt04171c","","","0.71073","MoKα","","0.0355","0.0306","","","0.0576","0.0602","","","","","","1.024","","","","has coordinates","230054","2020-10-21","18:00:00",""
"7045047","20.9793","0.0004","13.524","0.0004","11.6673","0.0003","90","","90","","90","","3310.29","0.14","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H8 Cd N3 O4 -","- C18 H8 Cd N3 O4 -","- C72 H32 Cd4 N12 O16 -","4","1","","Kaur, Harpreet; Venkateswarulu, M.; Kumar, Suneel; Krishnan, Venkata; Koner, Rik Rani","A metal-organic framework based multifunctional catalytic platform for organic transformation and environmental remediation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1488","1497","10.1039/c7dt04057a","","x-ray","0.71073","MoKα","","0.0753","0.0713","","","0.2217","0.2289","","","","","","1.181","","","","has coordinates","229461","2020-10-21","18:00:00",""
"7045285","12.145","0.002","12.728","0.003","8.027","0.0016","90","","90","","90","","1240.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H36 N2 O9 Ti2 -","- C20 H36 N2 O9 Ti2 -","- C40 H72 N4 O18 Ti4 -","2","0.5","","Kim, Euk Hyun; Lim, Min Hyuk; Lah, Myoung Soo; Koo, Sang Man","Synthesis and characterization of heteroleptic titanium MOCVD precursors for TiO<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2415","2421","10.1039/c7dt04894g","","","0.8","synchrotron","","0.0815","0.055","","","0.119","0.1412","","","","","","1.164","","","","has coordinates","229793","2020-10-21","18:00:00",""
"7045492","19.4272","0.0012","21.3813","0.001","9.1942","0.0005","90","","90","","90","","3819.1","0.4","130","2","130","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","'iPrFOMeAu(II)Br'","","- C35 H41 Au2 Br2 Cl3 Fe2 N2 O2 -","- C35 H41 Au2 Br2 Cl3 Fe2 N2 O2 -","- C140 H164 Au8 Br8 Cl12 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0481","0.0331","","","0.0554","0.058","","","","","","1.021","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045495","19.1746","0.0012","21.4485","0.0011","9.1603","0.0006","90","","90","","90","","3767.3","0.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","'iPrFOMeAu(II)Cl'","","- C35 H41 Au2 Cl5 Fe2 N2 O2 -","- C35 H41 Au2 Cl5 Fe2 N2 O2 -","- C140 H164 Au8 Cl20 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0411","0.0297","","","0.0525","0.0543","","","","","","1.057","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7046047","33.1772","0.0007","32.7339","0.0008","13.1235","0.0003","90","","90","","90","","14252.4","0.6","150","0.02","150","0.02","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C102 H182 Cr6 F8 N O35 S U2 -","- C102 H182 Cr6 F8 N O35 S U2 -","- C408 H728 Cr24 F32 N4 O140 S4 U8 -","4","1","","Leng, Ji-Dong; Kostopoulos, Andreas K.; Isherwood, Liam H.; Ariciu, Ana-Maria; Tuna, Floriana; Vitórica-Yrezábal, Iñigo J; Pritchard, Robin G.; Whitehead, George F. S.; Timco, Grigore A.; Mills, David P.; Winpenny, Richard E. P.","Chromium chains as polydentate fluoride ligands for actinides and group IV metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6361","6369","10.1039/c8dt00803e","","","1.54184","CuKα","","0.1202","0.0876","","","0.2226","0.2549","","","","","","1.039","","","","has coordinates,has disorder","229864","2020-10-21","18:00:00",""
"7046606","13.726","0.013","18.821","0.01","11.243","0.009","90","","90","","90","","2904","4","253","2","253","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 Ag2 N10 -","- C20 Ag2 N10 -","- C80 Ag8 N40 -","4","1","","Nimax, P. R.; Reimann, D.; Sünkel, K","Solvent effects on the crystal structure of silver pentacyanocyclopentadienide: supramolecular isomerism and solvent coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8476","8482","10.1039/c8dt01276h","","","0.71073","MoKα","","0.0346","0.0305","","","0.0809","0.0839","","","","","","1.022","","","","has coordinates","229658","2020-10-21","18:00:00",""
"7046714","11.9684","0.0005","12.1871","0.0005","5.5283","0.0002","90","","90","","90","","806.36","0.06","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- K2 O8 P2 Te -","- K2 O8 P2 Te -","- K8 O32 P8 Te4 -","4","1","","Wen, Ming; Hu, Cong; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","K<sub>2</sub>TeP<sub>2</sub>O<sub>8</sub>: a new telluro-phosphate with a pentagonal Te-P-O layer structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9453","9458","10.1039/c8dt01576g","","","0.71073","MoKα","","0.0315","0.0306","","","0.0701","0.0707","","","","","","0.983","","","","has coordinates","229193","2020-10-21","18:00:00",""
"7046908","18.8404","0.0003","13.263","0.0002","11.703","0.0002","90","","90","","90","","2924.35","0.08","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C55 H50 B2 N12 P2 Rh2 -","- C55 H50 B2 N12 P2 Rh2 -","- C110 H100 B4 N24 P4 Rh4 -","2","0.5","","Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.","Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9570","9574","10.1039/c8dt02524j","","x-ray","0.71073","MoKα","","0.0356","0.0273","","","0.0498","0.0552","","","","","","1.066","","","","has coordinates","229165","2020-10-21","18:00:00",""
"7047152","12.08302","0.00009","18.98014","0.00013","27.6971","0.0002","90","","90","","90","","6351.98","0.08","100","0.1","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C70 H44 Cl4 Hf N4 O8 -","- C70 H44 Cl4 Hf N4 O8 -","- C280 H176 Cl16 Hf4 N16 O32 -","4","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","1.54184","CuKα","","0.0342","0.0334","","","0.0893","0.0902","","","","","","1.028","","","","has coordinates","229363","2020-10-21","18:00:00",""
"7047153","12.0743","0.0002","18.9545","0.0004","27.7599","0.0005","90","","90","","90","","6353.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C68 H40 N4 O8 Zr -","- C68 H40 N4 O8 Zr -","- C272 H160 N16 O32 Zr4 -","4","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.0587","0.0534","","","0.1552","0.1584","","","","","","1.074","","","","has coordinates","229363","2020-10-21","18:00:00",""
"7047438","17.889","0.001","22.857","0.002","9.176","0.003","90","","90","","90","","3752","1.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H36 N10 O8 Zn2 -","- C45 H36 N10 O8 Zn2 -","- C90 H72 N20 O16 Zn4 -","2","0.5","","Zhang, Da-Shuai; Zhang, Yong-Zheng; Gao, Jun; Liu, Hui-Ling; Hu, Hui; Geng, Long-Long; Zhang, Xiuling; Li, Yun-Wu","Structure modulation from unstable to stable MOFs by regulating secondary N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14025","14032","10.1039/c8dt02858c","","","0.71073","MoKα","","0.0728","0.042","","","0.0877","0.0946","","","","","","0.834","","","","has coordinates","229489","2020-10-21","18:00:00",""
"7047713","14.8","0.01","6.623","0.005","10.02","0.01","90","","90","","90","","982.2","1.4","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H20 Cu N2 O4 S4 -","- C14 H20 Cu N2 O4 S4 -","- C28 H40 Cu2 N4 O8 S8 -","2","0.5","","Brustolin, L.; Nardon, C.; Pettenuzzo, N.; Zuin Fantoni, N.; Quarta, S.; Chiara, F.; Gambalunga, A.; Trevisan, A.; Marchiò, L; Pontisso, P.; Fregona, D.","Synthesis, chemical characterization and cancer cell growth-inhibitory activities of Cu(ii) and Ru(iii) aliphatic and aromatic dithiocarbamato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15477","15486","10.1039/c8dt02965b","","","0.71073","MoKα","","0.057","0.0367","","","0.0771","0.0847","","","","","","1.008","","","","has coordinates","229436","2020-10-21","18:00:00",""
"7047807","11.4428","0.0007","11.9319","0.0008","14.2169","0.0009","90","","90","","90","","1941.1","0.2","100","2","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H44 N6 Zn -","- C44 H44 N6 Zn -","- C88 H88 N12 Zn2 -","2","0.5","","Daneshmand, Pargol; Michalsky, Ina; Aguiar, Pedro M.; Schaper, Frank","Configurationally flexible zinc complexes as catalysts for rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16279","16291","10.1039/c8dt02562b","","","1.34139","GaKα","","0.0391","0.0361","","","0.0896","0.0909","","","","","","1.12","","","","has coordinates","229968","2020-10-21","18:00:00",""
"7048469","20.085","0.0007","23.243","0.006","15.21","0.001","90","","90","","90","","7100.6","1.9","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C182 H64 Cl6 Dy N12 O4 -","- C182 H64 Cl6 Dy N12 O4 -","- C364 H128 Cl12 Dy2 N24 O8 -","2","0.5","","Sun, Nana; Wang, Hailong; Liu, Tao; Qi, Dongdong; Jiang, Jianzhuang","Magnetic investigations over reversibly switched chiral (phthalocyaninato)(porphyrinato) dysprosium double-decker compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1586","1590","10.1039/c8dt04008g","","","0.71069","MoKα","","0.12","0.0979","","","0.2609","0.2796","","","","","","1.082","","","","has coordinates,has disorder","224008","2020-10-21","18:00:00",""
"7048471","21.7576","0.0004","21.4063","0.0005","15.2756","0.0003","90","","90","","90","","7114.6","0.3","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C94 H34 Cl4 Dy0.5 N6 O2 -","- C94 H34 Cl4 Dy0.5 N6 O2 -","- C376 H136 Cl16 Dy2 N24 O8 -","4","1","","Sun, Nana; Wang, Hailong; Liu, Tao; Qi, Dongdong; Jiang, Jianzhuang","Magnetic investigations over reversibly switched chiral (phthalocyaninato)(porphyrinato) dysprosium double-decker compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1586","1590","10.1039/c8dt04008g","","","0.71073","MoKα","","0.1","0.0853","","","0.2307","0.2444","","","","","","1.076","","","","has coordinates","224008","2020-10-21","18:00:00",""
"7048575","18.8177","0.0014","19.7659","0.0015","10.7727","0.0008","90","","90","","90","","4006.9","0.5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H116 Li2 Mo2 N4 O10 -","- C76 H116 Li2 Mo2 N4 O10 -","- C152 H232 Li4 Mo4 N8 O20 -","2","0.5","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0782","0.051","","","0.0919","0.1022","","","","","","1.012","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7049302","12.4965","0.0003","21.5374","0.0005","5.4886","0.0001","90","","90","","90","","1477.21","0.06","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C13 H19 Cu F N2 O4 -","- C13 H19 Cu F N2 O4 -","- C52 H76 Cu4 F4 N8 O16 -","4","1","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0376","0.0328","","","0.0746","0.0763","","","","","","1.016","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049350","14.0642","0.0006","17.8345","0.0008","16.96","0.0008","90","","90","","90","","4254","0.3","140","0.1","140","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C33 H33 B2 Br4 Fe N6 O6 -","- C33 H33 B2 Br4 Fe N6 O6 -","- C132 H132 B8 Br16 Fe4 N24 O24 -","4","1","","Bila, José L; Pijeat, Joffrey; Ramorini, Andrea; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Baudat, Emilie; Severin, Kay","Porous networks based on iron(ii) clathrochelate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4582","4588","10.1039/c9dt00546c","","x-ray","0.71073","MoKα","","0.1377","0.068","","","0.1659","0.2005","","","","","","1.029","","","","has coordinates,has disorder","224288","2020-10-21","18:00:00",""
"7049374","14.652","0.0013","29.737","0.003","10.2242","0.001","90","","90","","90","","4454.8","0.7","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H14 Br Mn N4 O3 -","- C20 H14 Br Mn N4 O3 -","- C160 H112 Br8 Mn8 N32 O24 -","8","2","","Ganguli, Kasturi; Shee, Sujan; Panja, Dibyajyoti; Kundu, Sabuj","Cooperative Mn(i)-complex catalyzed transfer hydrogenation of ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7358","7366","10.1039/c8dt05001e","","","0.71073","MoKα","","0.0806","0.0493","","","0.1121","0.1292","","","","","","1.027","","","","has coordinates","224459","2020-10-21","18:00:00",""
"7049586","12.5101","0.0008","28.6346","0.0017","11.2355","0.0008","90","","90","","90","","4024.8","0.5","150","2","150","2","","","","","","","synthesis as described","9","P 21 21 2","P 2 2ab","18","","","","- C32 H31 B2 Cl2 N4 O3 P Ru S8 -","- C32 H31 B2 Cl2 N4 O3 P Ru S8 -","- C128 H124 B8 Cl8 N16 O12 P4 Ru4 S32 -","4","1","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","x-ray","0.71073","MoKα","","0.0526","0.0438","","","0.0868","0.0906","","","","","","1.06","","","","has coordinates","224449","2020-10-21","18:00:00",""
"7050327","13.306","0.003","10.422","0.002","11.153","0.002","90","","90","","90","","1546.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","bis((-)-sparteine)dichlorodicopper(I)","bis((-)-sparteine)dichlorodicopper(I)","","- C30 H52 Cl2 Cu2 N4 -","- C30 H52 Cl2 Cu2 N4 -","- C60 H104 Cl4 Cu4 N8 -","2","0.5","","A.Johansson; M.Vestergren; M.Hakansson; B.Gustafsson; S.Jagner","Unexpected structural similarity between the chlorocopper(I) unit and the methyllithium and phenyllithium units. First complexes between (-)-sparteine and copper(I) chloride: synthesis and structural characterisation.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0333","0.0299","","","0.0733","0.0747","","","","","","1.009","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7050793","12.869","0.003","9.953","0.003","11.375","0.003","90","","90","","90","","1457","0.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H33 Cu2 N14 O4 W -","- C16 H22 Cu2 N14 O4 W -","- C32 H44 Cu4 N28 O8 W2 -","2","0.5","","Li, Dong-feng; Gao, Song; Zheng, Li-min; Yu, Kai-bei; Tang, Wen-xia","Crystal structures and magnetic properties of two octacyanometalate-based tungstate(V)–copper(II) bimetallic assemblies","New Journal of Chemistry","2002","26","9","1190","1195","10.1039/b110635j","","","0.71073","MoKα","","0.0446","0.0381","","","0.062","0.063","","","","","","1.001","","","","has coordinates,has disorder","275122","2022-05-06","17:15:05",""
"7050927","10.125","0.009","22.47","0.02","8.326","0.008","90","","90","","90","","1894","3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C38 H50 Mg N4 O4 -","- C38 H50 Mg N4 O4 -","- C76 H100 Mg2 N8 O8 -","2","0.5","","Junk, Peter Courtney; Cole, Marcus L.; Evans, David J.; Louis, Lance M.","Structural and synthetic studies of magnesium and zinc tolylformamidinate complexes","New Journal of Chemistry","2002","","","","","10.1039/b204304a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051197","13.1254","0.0002","48.0683","0.0007","12.8677","0.0002","90","","90","","90","","8118.4","0.2","110","2","110","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C82 H74 Cl5 Cu3 N9 O21 -","- C82 H74 Cl5 Cu3 N9 O21 -","- C328 H296 Cl20 Cu12 N36 O84 -","4","1","","Patra, Goutam K.; Goldberg, Israel; Chowdhury, Sanjoy K.; Maiti, Bikas C.; Sarkar, Amitabha; Bangal, Prakriti R.; Chakravorti, Sankar; Chattopadhyay, Nitin; Tocher, Derek A.; Drew, Michael G. B.; Mostafa, Golam; Chowdhury, Shubhamoy; Datta, Dipankar","A new photoluminescent CuI2N6 chromophore","New Journal of Chemistry","2001","25","11","1371","","10.1039/b105442m","","","0.7107","MoKα","","0.0878","0.0514","","","0.1123","0.1283","","","","","","1.022","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051367","13.614","0.005","28.871","0.01","11.523","0.005","90","","90","","90","","4529","3","163","2","163","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20.75 H32 Ag N3 O4.25 -","- C20.75 H32 Ag N3 O4.25 -","- C166 H256 Ag8 N24 O34 -","8","2","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. Part 9. Homoconfigurational coordination polymers based on a C2-symmetric, linear-bridging ligand","New Journal of Chemistry","2000","24","12","945","","10.1039/b005881p","","","0.71073","MoKα","","0.0674","0.036","","","0.0714","0.0771","","","","","","0.89","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051368","10.752","0.006","11.359","0.006","7.382","0.004","90","","90","","90","","901.6","0.8","163","2","163","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 N2 -","- C20 H28 N2 -","- C40 H56 N4 -","2","0.5","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. Part 9. Homoconfigurational coordination polymers based on a C2-symmetric, linear-bridging ligand","New Journal of Chemistry","2000","24","12","945","","10.1039/b005881p","","","0.71073","MoKα","","0.0589","0.0439","","","0.1085","0.1148","","","","","","1.053","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051475","29.084","0.009","14.692","0.004","11.795","0.001","90","","90","","90","","5040","3","173","","173","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C114 H102 Cu2 F12 N8 O14 P2 -","- C113 H101 Cu F12 N8 O14 P2 -","- C226 H202 Cu2 F24 N16 O28 P4 -","2","0.5","","Dietrich-Buchecker Christiane; Sauvage Jean-Pierre; Hwang Neri Geum","A trefoil knot coordinated to two lithium ions : synthesis and structure","New Journal of Chemistry","1999","","","","","10.1039/a904476k","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7052352","22.5845","0.001","12.3139","0.0005","17.2598","0.0006","90","","90","","90","","4800","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C71 H60 Cl4.5 Hg2 N4 O11 -","- C71 H60 Cl4.5 Hg2 N4 O11 -","- C142 H120 Cl9 Hg4 N8 O22 -","2","0.5","","Laugel, Guillaume; Graf, Ernest; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: on the formation of tubular coordination networks","New Journal of Chemistry","2006","30","9","1340","","10.1039/b607982m","","","0.71073","MoKα","","0.1209","0.0938","","","0.2468","0.2744","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052607","25.514","0.004","27.351","0.004","12.6917","0.0018","90","","90","","90","","8857","2","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C58 H110.5 Br3.5 Cl N33 O40.5 -","- C58 H61 Br3.5 Cl1.0005 N33 O16.5 -","- C232 H244 Br14 Cl4.002 N132 O66 -","4","1","","Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang","Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests","New Journal of Chemistry","2011","35","5","1088","","10.1039/c0nj00752h","","","0.71073","MoKα","","0.1106","0.0697","","","0.1692","0.1853","","","","","","0.991","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052910","16.226","0.0003","16.2256","0.0003","5.601","0.0001","90","","90","","90","","1474.61","0.05","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis[rac-(2-amino-butan-1-olato-κN,O)-rac-(2-amino-butan-1-ol-κN,O)-aqua- copper(II)] di-perchlorate","","- C16 H46 Cl2 Cu2 N4 O14 -","- C16 H45.77 Cl2 Cu2 N4 O14 -","- C32 H91.54 Cl4 Cu4 N8 O28 -","2","0.5","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.0602","0.0558","","","0.155","0.1606","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052936","26.907","0.004","29.784","0.004","20.352","0.003","90","","90","","90","","16310","4","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","heptakis(2,6-di-O-methyl)-beta-cyclodextrin.6,7,8,9,10,10 - hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide","heptakis(2,6-di-O-methyl)-beta-cyclodextrin.6,7,8,9,10,10 -hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3- benzodioxathiepin 3-oxide","","- C65 H106.08 Cl6 O39.04 S -","- C65 H103 Cl6 O39.045 S -","- C520 H824 Cl48 O312.36 S8 -","8","2","","Cruickshank, Dyanne L.; Bourne, Susan A.; Caira, Mino R.","A solid-state study of the inclusion of endosulfan in native and derivatised cyclodextrins using X-ray diffraction and thermoanalytical methods","New Journal of Chemistry","2012","36","10","2007","","10.1039/c2nj40364a","","","0.71073","MoKα","","0.185","0.1023","","","0.2548","0.3065","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053618","19.416","0.001","24.922","0.001","10.803","0.001","90","","90","","90","","5227.4","0.6","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C58 H57 Cl6 N2 P4 Rh -","- C52 H48 Cl3 N2 P4 Rh -","- C208 H192 Cl12 N8 P16 Rh4 -","4","1","","Buchard, Antoine; Payet, Elina; Auffrant, Audrey; Goff, Xavier Le; Floch, Pascal Le","Iminophosphorane-based [P2N2] rhodium complexes: synthesis, reactivity, and application in catalysed transfer hydrogenation of polar bonds","New Journal of Chemistry","2010","34","12","2943","","10.1039/c0nj00299b","","","0.71069","MoKα","","0.1201","0.061","","","0.1254","0.1394","","","","","","0.931","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053673","12.321","0.003","25.157","0.005","9.3501","0.0019","90","","90","","90","","2898.2","1.1","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C25 H35 Br Cl4 Cr N O -","- C25 H35 Br Cl4 Cr N O -","- C100 H140 Br4 Cl16 Cr4 N4 O4 -","4","1","","Sun, Mingtai; Mu, Ying; Wu, Qiaolin; Gao, Wei; Ye, Ling","Synthesis, structures and ethylene polymerization behavior of half-metallocene chromium(iii) catalysts bearing salicylaldiminato ligands","New Journal of Chemistry","2010","34","12","2979","","10.1039/c0nj00439a","","","0.71073","MoKα","","0.0645","0.0414","","","0.088","0.0966","","","","","","1.023","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7053750","17.6804","0.0002","18.0029","0.0004","10.2337","0.0004","90","","90","","90","","3257.37","0.15","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C39 H38 N3 O4.5 -","- C39 H37 N3 O4.5 -","- C156 H148 N12 O18 -","4","1","","Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre","Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties","New Journal of Chemistry","2008","32","11","1988","","10.1039/b806342g","","","0.71073","MoKα","","0.12","0.085","","","0.21","0.231","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053751","17.6752","0.0005","17.6984","0.0007","10.6227","0.0004","90","0.002","90","0.002","90","0.002","3323","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H39 N3 O4 -","- C40 H39 N3 O4 -","- C160 H156 N12 O16 -","4","1","","Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre","Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties","New Journal of Chemistry","2008","32","11","1988","","10.1039/b806342g","","","0.71073","MoKα","","0.136","0.093","","","0.222","0.245","","","","","","1.074","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053754","16.2996","0.0018","24.9","0.003","5.747","0.0007","90","","90","","90","","2332.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H29 N2 O2.5 -","- C30 H29 N2 O2.5 -","- C120 H116 N8 O10 -","4","1","","Imai, Yoshitane; Kawano, Kenta; Nakano, Yoko; Kawaguchi, Kakuhiro; Harada, Takunori; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Control of circularly polarized luminescence (CPL) properties by supramolecular complexation","New Journal of Chemistry","2008","32","7","1110","","10.1039/b806586c","","","0.71073","MoKα","","0.1043","0.0639","","","0.0927","0.1029","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7055217","15.7377","0.0005","21.1254","0.0008","11.7487","0.0003","90","","90","","90","","3906","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H22 Cd1.5 N4 O7 -","- C29 H22 Cd1.5 N4 O7 -","- C116 H88 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","A pair of homochiral porous metal‒organic frameworks with a helical metal-carboxylate layer","New J. Chem.","2016","40","3","1927","","10.1039/C5NJ02236C","","","1.54178","CuKα","","0.0456","0.0413","","","0.1113","0.1143","","","","","","1.043","","","","has coordinates,has disorder","181761","2020-10-21","18:00:00",""
"7055218","15.6969","0.0006","20.9233","0.0007","11.7168","0.0004","90","","90","","90","","3848.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H22 Cd1.5 N4 O7 -","- C29 H22 Cd1.5 N4 O7 -","- C116 H88 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","A pair of homochiral porous metal‒organic frameworks with a helical metal-carboxylate layer","New J. Chem.","2016","40","3","1927","","10.1039/C5NJ02236C","","","0.71073","MoKα","","0.0427","0.0387","","","0.0993","0.1018","","","","","","1.09","","","","has coordinates,has disorder","181761","2020-10-21","18:00:00",""
"7056913","7.7188","0.001","16.867","0.002","6.4384","0.0008","90","","90","","90","","838.23","0.18","130","","130","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C3 N8 O6 -","- C3 N8 O6 -","- C12 N32 O24 -","4","1","","Ma, Qing; Gu, Hao; Huang, Jinglun; Nie, Fude; Fan, Guijuan; Liao, Longyu; Yang, Wei","Formation of trinitromethyl functionalized 1,2,4-triazole-based energetic ionic salts and a zwitterionic salt directed by an intermolecular and intramolecular metathesis strategy","New Journal of Chemistry","2018","42","4","2376","","10.1039/C7NJ03939E","","","0.71073","MoKα","","0.0444","0.0341","","","0.0735","0.0776","","","","","","1.023","","","","has coordinates","230273","2020-10-21","18:00:00",""
"7057484","11.2448","0.0007","19.9704","0.0014","11.2323","0.0008","90","","90","","90","","2522.4","0.3","120","2","120","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C54 H52 Ag Cl Fe2 N2 O6 P2 -","- C54 H52 Ag Cl Fe2 N2 O6 P2 -","- C108 H104 Ag2 Cl2 Fe4 N4 O12 P4 -","2","0.5","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.0171","0.0169","","","0.0403","0.0404","","","","","","1.056","","","","has coordinates","230405","2020-10-21","18:00:00",""
"7057983","17.8677","0.0005","12.9186","0.0004","10.731","0.0003","90","","90","","90","","2476.99","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H25 N2 O5 Re -","- C28 H25 N2 O5 Re -","- C112 H100 N8 O20 Re4 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Stączek, Paweł; Bernaś, Tytus; Trzybiński, Damian; Woźniak, Krzysztof; Schatzschneider, Ulrich; Czerwieniec, Rafał; Kowalski, Konrad","Luminescent fac-[Re(CO)3(phen)] carboxylato complexes with non-steroidal anti-inflammatory drugs: synthesis and mechanistic insights into the in vitro anticancer activity of fac-[Re(CO)3(phen)(aspirin)]","New Journal of Chemistry","2019","43","2","573","","10.1039/C8NJ05494K","","x-ray","0.71073","MoKα","","0.0506","0.0443","","","0.0761","0.0795","","","","","","1.085","","","","has coordinates,has disorder","224819","2020-10-21","18:00:00",""
"7057984","6.16143","0.00009","46.2179","0.0006","9.40358","0.0001","90","","90","","90","","2677.84","0.06","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H21 N2 O6 Re -","- C29 H21 N2 O6 Re -","- C116 H84 N8 O24 Re4 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Stączek, Paweł; Bernaś, Tytus; Trzybiński, Damian; Woźniak, Krzysztof; Schatzschneider, Ulrich; Czerwieniec, Rafał; Kowalski, Konrad","Luminescent fac-[Re(CO)3(phen)] carboxylato complexes with non-steroidal anti-inflammatory drugs: synthesis and mechanistic insights into the in vitro anticancer activity of fac-[Re(CO)3(phen)(aspirin)]","New Journal of Chemistry","2019","43","2","573","","10.1039/C8NJ05494K","","x-ray","1.54184","CuKα","","0.0349","0.0347","","","0.077","0.0771","","","","","","1.193","","","","has coordinates","224819","2020-10-21","18:00:00",""
"7058316","7.6481","0.0017","30.186","0.004","6.7702","0.0006","90","","90","","90","","1563","0.4","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Tănase, Constantin I.; Cocu, Florea; Drăghici, Constantin; Hanganu, Anamaria; Pintilie, Lucia; Maganu, Maria; Munteanu, Cristian V. A.; Shova, Sergiu","Secondary compounds in the catalytic hydrogenation of enone and allylic alcohol prostaglandin intermediates: isolation, characterization, and X-ray crystallography","New Journal of Chemistry","2019","43","20","7582","","10.1039/C9NJ01186B","","x-ray","0.71073","MoKα","","0.1227","0.0804","","","0.1489","0.1731","","","","","","1.102","","","","has coordinates","224858","2020-10-21","18:00:00",""
"7058969","12.2984","0.0006","14.6289","0.0007","7.9467","0.0004","90","","90","","90","","1429.71","0.12","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H46 O4 -","- C34 H46 O4 -","- C68 H92 O8 -","2","0.5","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0377","0.037","","","0.1005","0.1014","","","","","","1.153","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7060299","11.3607","0.0007","17.4615","0.0011","10.4929","0.0007","90","","90","","90","","2081.5","0.2","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H43 Eu N12 O9 -","- C40 H43 Eu N12 O9 -","- C80 H86 Eu2 N24 O18 -","2","0.5","","Bryleva, Yuliya A.; Ustimenko, Yuliya P.; Plyusnin, Victor F.; Mikheilis, Alexsandr V.; Shubin, Aleksandr A.; Glinskaya, Ludmila A.; Komarov, Vladislav Yu.; Agafontsev, Alexander M.; Tkachev, Alexey V.","Ln(iii) complexes with a chiral 1H-pyrazolo[3,4-b]pyridine derivative fused with a (−)-α-pinene moiety: synthesis, crystal structure, and photophysical studies in solution and in the solid state","New Journal of Chemistry","2021","45","4","2276","2284","10.1039/D0NJ05277A","","","0.71073","MoKα","","0.0496","0.0425","","","0.0793","0.0821","","","","","","1.06","","","","has coordinates,has disorder","261727","2021-02-04","23:25:41",""
"7060742","22.542","0.002","4.7936","0.0005","6.9265","0.0007","90","","90","","90","","748.46","0.13","297","2","297.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H12 B2 O4 -","- C18 H12 B2 O4 -","- C36 H24 B4 O8 -","2","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.0403","0.0319","","","0.0776","0.0828","","","","","","1.045","","","","has coordinates","268833","2021-09-06","11:57:00",""
"7061449","17.604","0.005","7.008","0.003","7.319","0.001","90","","90","","90","","902.9","0.5","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Fe(3Ethynil)2[Ni(CN)4]","","","- C18 H10 Fe N6 Ni -","- C18 H10 Fe N6 Ni -","- C36 H20 Fe2 N12 Ni2 -","2","0.5","","Terrero, R.; Avila, Y.; Mojica, R.; Cano, A.; Gonzalez, M.; Avila, M.; Reguera, E.","Thermally induced spin-crossover in the Fe(3-ethynylpyridine)2[M(CN)4] series with M = Ni, Pd, and Pt. The role of the electron density found at the CN 5σ orbital","New Journal of Chemistry","2022","46","20","9618","9628","10.1039/D2NJ01214F","powder diffraction","","1.54175","CuKα","","","0.1014","","","","0.2028","","5.5217","1.71","","","","","","","has coordinates","275797","2022-06-06","01:53:44",""
"7061450","17.639","0.001","7.2987","0.0006","7.4677","0.001","90","","90","","90","","961.4","0.16","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Fe(3Ethynil)2[Pd(CN)4]","","","- C18 H10 Fe N6 Pd -","- C18 H10 Fe N6 Pd -","- C36 H20 Fe2 N12 Pd2 -","2","0.5","","Terrero, R.; Avila, Y.; Mojica, R.; Cano, A.; Gonzalez, M.; Avila, M.; Reguera, E.","Thermally induced spin-crossover in the Fe(3-ethynylpyridine)2[M(CN)4] series with M = Ni, Pd, and Pt. The role of the electron density found at the CN 5σ orbital","New Journal of Chemistry","2022","46","20","9618","9628","10.1039/D2NJ01214F","powder diffraction","","1.54175","CuKα","","","0.1014","","","","0.2028","","4.7979","1.39","","","","","","","has coordinates","275797","2022-06-06","01:53:44",""
"7061753","18.1188","0.0008","24.6086","0.001","7.652","0.0004","90","","90","","90","","3411.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H60 N6 Ni3 O16 -","- C58 H60 N6 Ni3 O16 -","- C116 H120 N12 Ni6 O32 -","2","0.5","","Mahish, Manas Kumar; Carrella, Luca M.; Patra, Apu; Saren, Dama; Zangrando, Ennio; Vojtíšek, Pavel; Rentschler, Eva; Manna, Subal Chandra","Tryptophan moiety ligand based tri/tetranuclear Ni(ii) complexes: syntheses, structure and magnetic properties","New Journal of Chemistry","2022","46","35","16899","16906","10.1039/D2NJ02467E","","","0.71073","MoKα","","0.0683","0.0516","","","0.1349","0.1432","","","","","","1.05","","","","has coordinates,has disorder","278468","2022-10-07","01:15:22",""
"7062661","37.284","0.0016","12.3609","0.0005","6.9822","0.0003","90","","90","","90","","3217.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C35 H59 N O -","- C35 H59 N O -","- C140 H236 N4 O4 -","4","1","","Iftime, Manuela-Maria; Ailiesei, Gabriela Liliana; Shova, Sergiu; Miron, Camelia; Tanaka, Hiromasa; Hori, Masaru; Marin, Luminita","New betulin imine derivatives with antioxidant and selective antitumor activity","New Journal of Chemistry","2023","47","35","16551","16563","10.1039/D3NJ02738D","","x-ray","0.71073","MoKα","","0.1346","0.0822","","","0.1964","0.2361","","","","","","0.993","","","","has coordinates,has disorder","286776","2023-10-06","00:32:04",""
"7062760","18.3153","0.0004","19.6079","0.0006","8.6585","0.0002","90","","90","","90","","3109.48","0.14","212.99","0.1","212.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H46 Co2 N8 O12 -","- C60 H46 Co2 N8 O12 -","- C120 H92 Co4 N16 O24 -","2","0.5","","Yan, Mei-Hua; Ray, Manaswini; Wang, Jun; Lu, Lu; Zhang, Wei; Muddassir, Mohd.; Mohanty, Aurobinda","Structural diversity of three new Co(ii)-based MOFs as a UV light-driven photocatalyst: photocatalytic performance","New Journal of Chemistry","2023","47","41","19167","19176","10.1039/D3NJ03452F","","x-ray","1.54184","CuKα","","0.0878","0.0779","","","0.1876","0.1946","","","","","","1.056","","","","has coordinates","287373","2023-11-06","07:58:38",""
"7062930","21.273","0.004","7.2489","0.0012","15.064","0.003","90","","90","","90","","2323","0.7","295","2","295","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C50 H33 N25 -","- C50 H33 N25 -","- C100 H66 N50 -","2","0.5","","Korotina, Anna V.; Tolshchina, Svetlana G.; Gazizov, Denis A.; Steparuk, Alexander S.; Kim, Grigory A.; Demina, Nadezhda S.; Ganebnykh, Ilya N.; Slepukhin, Pavel A.; Aleksandrov, Alexey E.; Tameev, Alexey R.; Rusinov, Gennady L.","Novel helix-shape bis[1,2,4]triazolo[4,3-b:3′,4′-f][1,2,4,5]tetrazines: synthesis, optical and charge-transfer properties","New Journal of Chemistry","2024","48","5","1983","1991","10.1039/D3NJ05306G","","","0.71073","MoKα","","0.1546","0.0407","","","0.0456","0.0579","","","","","","0.717","","","","has coordinates,has disorder","289579","2024-02-04","12:20:02",""
"7063128","13.243","0.0004","20.798","0.0006","7.7513","0.0002","90","","90","","90","","2134.92","0.1","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Bakija, Marija; Peric, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0518","0.0468","","","0.1248","0.1288","","","","","","1.083","","","","has coordinates","291129","2024-04-06","00:42:36",""
"7100001","32.0792","0.0005","14.408","0.0002","7.2035","0.0001","90","","90","","90","","3329.44","0.08","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C130 H160 N40 O20 -","10","2.5","","Jon Parquette; Judith C. Gallucci; Adam J. Preston","The Influence of Sterics on the Formation of Polar 1-D Hydrogen-Bonded Networks","Chemical Communications","2005","","","","","10.1039/b414470h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100513","7.5802","0.0006","28.044","0.002","6.1008","0.0005","90","","90","","90","","1296.9","0.18","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H27 O23.5 Pr2 -","- C12 H16 O23.5 Pr2 -","- C24 H32 O47 Pr4 -","2","0.5","","Ian Williams; John A. Cha; Stephen S.-Y. Chui; Andy L.-F. Leung; Herman H. Y. Sung; Samadara Thushari; Yu-Fong Yen.","Microporous chiral metal coordination polymers: hydrothermal synthesis, channel engineering and thermal stability of lanthanide tartrates","Chemical Communications","2005","","","","","10.1039/b508574h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100516","14.8415","0.0009","25.3203","0.0016","8.0438","0.0005","90","","90","","90","","3022.8","0.3","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Bis(chloro(pentamethylcyclopentadienyl)-(methyl-4,6-O-beta- naphthyl-2-methyliden-beta-D-glucopyranosidato)titan)","","","- C58 H70 Cl6 O12 Ti2 -","- C58 H70 Cl6 O12 Ti2 -","- C116 H140 Cl12 O24 Ti4 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b508851h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100636","9.705","0.001","7.66","0.001","7.818","0.001","90","","90","","90","","581.23","0.17","286","2","286","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Pyrrolidine-2S-carboxylic acid N'-(pyrrolidine-2S-carbonyl)- hydrazide","","","- C10 H18 N4 O2 -","- C10 H18 N4 O2 -","- C20 H36 N8 O4 -","2","0.5","","Jian Sun; Chuanling Cheng; Fan Jiang; Chao Wang; Siyu Wei; Yun-Dong Wu; Yu Zhang","Protonated N'-benzyl-N'-prolyl Proline Hydrazide as Highly Enantioselective Catalyst for Direct Asymmetric Aldol Reaction","Chemical Communications","2006","","","","","10.1039/b511992h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100839","21.232","0.005","24.238","0.005","10.398","0.005","90","0.005","90","0.005","90","0.005","5351","3","153","2","153","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H76 Si4 Sn2 -","- C50 H76 Si4 Sn2 -","- C200 H304 Si16 Sn8 -","4","1","","Alan Cowley; Jamie N. Jones","pi-Indenyl tin(II) and lead(II) compounds","Chemical Communications","2005","","","","","10.1039/b410549d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101552","16.179","0.013","15.653","0.012","10.866","0.008","90","","90","","90","","2751.7","3.7","298","1","","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H50 Cl6 F12 N4 Pd2 Sb2 -","- C44 H50 Cl6 F12 N4 Pd2 Sb2 -","- C88 H100 Cl12 F24 N8 Pd4 Sb4 -","2","0.5","","Hoi Lun Kwong; Ho-Lun Yeung; Wing-Sze Lee; Wing-Tak Wong","Stereoselective formation of a single-stranded helicate: Structure of a bis(Palladium-allyl)quaterpyridine complex and its use in catalytic enantioselective allylic substitution","Chemical Communications","2006","","46","","","10.1039/b608481h","","","0.71073","MoKα","","","0.04","","","","0.047","","","","","","1.047","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101669","15.2377","0.0006","20.5124","0.0007","8.7621","0.0004","90","","90","","90","","2738.7","0.19","233","2","233","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C56 H51.5 Cl6.5 P4 -","- C56 H51.5 Cl6.5 P4 -","- C112 H103 Cl13 P8 -","2","0.5","","Stallinger, Silvia; Reitsamer, Christian; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Novel route to carbodiphosphoranes producing a new P,C,P pincer carbene ligand.","Chemical communications (Cambridge, England)","2007","","5","510","512","10.1039/b609723e","","","0.71073","MoKα","","0.0596","0.0498","","","0.1229","0.1283","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102052","7.608","0.005","8.883","0.005","9.914","0.005","90","","90","","90","","670","0.7","88","2","88","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","Compound 1 cbaf","","","- C10 H10 Ag B F4 N4 S -","- C10 H10 Ag B F4 N4 S -","- C20 H20 Ag2 B2 F8 N8 S2 -","2","0.5","","Black, Cory A; Hanton, Lyall R; Spicer, Mark D","A coordination polymer strategy for anion encapsulation: anion-pi interactions in (4,4) nets formed from Ag(I) salts and a flexible pyrimidine ligand.","Chemical communications (Cambridge, England)","2007","","30","3171","3173","10.1039/b703522e","","","0.71069","MoKα","","0.0229","0.0207","","","0.0502","0.0517","","","","","","1.068","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102053","7.7198","0.0003","9.1284","0.0003","9.7867","0.0004","90","","90","","90","","689.66","0.05","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","Compound 2 cbf","","","- C10 H10 Ag Cl N4 O4 S -","- C10 H10 Ag Cl N4 O4 S -","- C20 H20 Ag2 Cl2 N8 O8 S2 -","2","0.5","","Black, Cory A; Hanton, Lyall R; Spicer, Mark D","A coordination polymer strategy for anion encapsulation: anion-pi interactions in (4,4) nets formed from Ag(I) salts and a flexible pyrimidine ligand.","Chemical communications (Cambridge, England)","2007","","30","3171","3173","10.1039/b703522e","","","0.71073","MoKα","","0.0381","0.0335","","","0.0871","0.0897","","","","","","1.101","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102054","7.8018","0.0016","9.0824","0.0017","9.902","0.0019","90","","90","","90","","701.6","0.2","93","2","93","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","Compound 3 cbm","","","- C10 H10 Ag F6 N4 P S -","- C10 H10 Ag F6 N4 P S -","- C20 H20 Ag2 F12 N8 P2 S2 -","2","0.5","","Black, Cory A; Hanton, Lyall R; Spicer, Mark D","A coordination polymer strategy for anion encapsulation: anion-pi interactions in (4,4) nets formed from Ag(I) salts and a flexible pyrimidine ligand.","Chemical communications (Cambridge, England)","2007","","30","3171","3173","10.1039/b703522e","","","0.71073","MoKα","","0.0314","0.029","","","0.069","0.0703","","","","","","1.037","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102395","25.0498","0.0001","20.9704","0.0003","11.7186","0.0003","90","","90","","90","","6155.8","0.2","173","","173","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26.375 H31 Cl0.75 N8 O6.125 -","- C26.375 H30 Cl0.75 N8 O6.125 -","- C211 H240 Cl6 N64 O49 -","8","2","","Odriozola, Ibon; Kyritsakas, Nathalie; Lehn, Jean-Marie","Structural codons: linearity/helicity interconversion by pyridine/pyrimidine exchange in molecular strands.","Chemical communications (Cambridge, England)","2004","","1","62","63","10.1039/b311045a","","","0.71073","Mo-Kα","","0.185","0.087","","0.23","","0.111","","","1.431","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102867","13.088","0.001","13.546","0.001","7.532","0.0006","90","","90","","90","","1335.35","0.18","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H34 I2 N2 O2 -","- C26 H34 I2 N2 O2 -","- C52 H68 I4 N4 O4 -","2","0.5","","Clayden, Jonathan; Vallverdú, Lluís; Clayton, James; Helliwell, Madeleine","Conformational switching between diastereoisomeric atropisomers of arenedicarboxamides induced by complexation with Lewis acids.","Chemical communications (Cambridge, England)","2008","","5","561","563","10.1039/b716105k","","","0.71073","MoKα","","0.0334","0.0304","","","0.0763","0.0772","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102882","13.7716","0.0006","15.0164","0.0007","15.8042","0.0008","90","","90","","90","","3268.3","0.3","100.1","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C62 H74 N4 O14 -","- C62 H66 N4 O14 -","- C124 H132 N8 O28 -","2","0.5","","Tanaka, Koichi; Oda, Shinji; Shiro, Motoo","A novel chiral porous metal-organic framework: asymmetric ring opening reaction of epoxide with amine in the chiral open space.","Chemical communications (Cambridge, England)","2008","","7","820","822","10.1039/b714083e","","","1.54187","CuKα","","","0.125","","","","0.3256","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102966","21.424","0.006","6.897","0.002","7.8","0.002","90","","90","","90","","1152.5","0.6","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","CuASPbipy","","","- C18 H18 Cu2 N4 O8 -","- C18 H18 Cu2 N4 O8 -","- C36 H36 Cu4 N8 O16 -","2","0.5","","Ingleson, Michael J; Barrio, Jorge Perez; Bacsa, John; Dickinson, Calum; Park, Hyunsoo; Rosseinsky, Matthew J","Generation of a solid Brønsted acid site in a chiral framework.","Chemical communications (Cambridge, England)","2008","","11","1287","1289","10.1039/b718443c","","","0.71073","MoKα","","0.0832","0.0676","","","0.1488","0.1556","","","","","","1.06","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7103066","18.7425","0.0011","22.3897","0.0013","10.4415","0.0006","90","","90","","90","","4381.7","0.4","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C39 H57 N2 O P2 Si3 Y -","- C39 H57 N2 O P2 Si3 Y -","- C156 H228 N8 O4 P8 Si12 Y4 -","4","1","","Liddle, Stephen T; McMaster, Jonathan; Green, Jennifer C; Arnold, Polly L","Synthesis and structural characterisation of an yttrium-alkyl-alkylidene.","Chemical communications (Cambridge, England)","2008","","15","1747","1749","10.1039/b719633d","","","0.71073","MoKα","","0.0469","0.0337","","","0.0751","0.0788","","","","","","0.988","","","","has coordinates,has disorder","180132","2020-10-21","18:00:00",""
"7103197","15.9364","0.0007","15.936","","18.6763","0.001","90","","90","","90","","4743.2","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","","","- C23 H25 Br O10 -","- C23 H25 Br O10 -","- C184 H200 Br8 O80 -","8","2","","Bertelsen, Søren; Johansen, Rasmus L; Jørgensen, Karl Anker","Controlling the formation of 1 out of 64 stereoisomers using organocatalysis.","Chemical communications (Cambridge, England)","2008","","26","3016","3018","10.1039/b806418k","","x-ray","0.71073","MoKα","","0.044","0.0339","","","0.0776","0.0808","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103198","15.9402","0.0007","15.9657","0.0007","18.6847","0.0007","90","","90","","90","","4755.2","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","","","- C23 H25 Br O10 -","- C23 H25 Br O10 -","- C184 H200 Br8 O80 -","8","2","","Bertelsen, Søren; Johansen, Rasmus L; Jørgensen, Karl Anker","Controlling the formation of 1 out of 64 stereoisomers using organocatalysis.","Chemical communications (Cambridge, England)","2008","","26","3016","3018","10.1039/b806418k","","x-ray","0.71073","MoKα","","0.043","0.0329","","","0.0749","0.0781","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103713","16.847","0.003","22.696","0.004","5.6162","0.001","90","","90","","90","","2147.3","0.7","125","2","125","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H27 N O -","- C26 H27 N O -","- C104 H108 N4 O4 -","4","1","","Hayes, J. F.; Prévost, N.; Prokeš, I.; Shipman, M.; Slawin, A. M. Z.; Twin, H.","Aziridinyl anions from a chiral, nonracemic 2-isopropylidineaziridine: surprisingly diastereoselective alkylation reactions","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1344","1345","10.1039/b303252c","","","0.71073","MoKα","","0.129","0.0429","","","0.0526","0.066","","","","","","0.738","","","","has coordinates","210758","2020-10-21","18:00:00",""
"7104022","22.663","0.003","13.305","0.0015","14.5132","0.0016","90","","90","","90","","4376.2","0.8","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C47 H56 Cl3 Fe N2 P2 Ru -","- C47 H56 Cl3 Fe N2 P2 Ru -","- C188 H224 Cl12 Fe4 N8 P8 Ru4 -","4","1","","Leong, Carolyn G.; Akotsi, Okwado M.; Ferguson, Michael J.; Bergens, Steven H.","A ruthenium catalyst that does not require an N‒H ligand to achieve high enantioselectivity for hydrogenation of an alkyl-aryl ketone","Chemical Communications (Cambridge, United Kingdom)","2003","","6","750","751","10.1039/b212544g","","","0.71073","MoKα","","0.0928","0.0565","","","0.0916","0.1107","","","","","","1.027","","","","has coordinates","210654","2020-10-21","18:00:00",""
"7104081","16.4121","0.0012","19.4406","0.0015","9.3903","0.0007","90","","90","","90","","2996.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H22 Co N8 S2 -","- C25.886 H19.636 Co N8.021 S2 -","- C103.544 H78.544 Co4 N32.084 S8 -","4","1","","Mok Shin, Dong; Su Lee, In; Keun Chung, Young; Soo Lah, Myoung","Coordination polymers based on square planar Co(II) node and linear spacer: solvent-dependent pseudo-polymorphism and an unprecedented interpenetrating structure containing both 2D and 3D topological isomers","Chemical Communications (Cambridge, United Kingdom)","2003","","9","1036","1037","10.1039/b210320f","","","0.71073","MoKα","","0.107","0.0735","","","0.2148","0.2419","","","","","","0.985","","","","has coordinates,has disorder","210531","2020-10-21","18:00:00",""
"7104316","16.41","0.003","22.331","0.004","11.2911","0.0018","90","","90","","90","","4137.6","1.1","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C60 H60 Cu2 F12 N8 P2 S4 -","- C60 H60 Cu2 F12 N8 P2 S4 -","- C120 H120 Cu4 F24 N16 P4 S8 -","2","0.5","","Tsang, Chui-Shan; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun","Diastereoselective formation of a dicopper(i) helicate with a chiral tetradentate pyridylthiazole ligand.","Chemical communications (Cambridge, England)","2009","34","15","1999","2001","10.1039/b900264b","","","0.71073","MoKα","","0.0981","0.0402","","","0.0415","0.0438","","","","","","1.06","","","","has coordinates,has disorder","180146","2020-10-21","18:00:00",""
"7104579","14.8792","0.0016","7.4397","0.0008","10.0119","0.0011","90","","90","","90","","1108.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","HHII-149a","ellman03","","- C11 H13 Cl N2 -","- C11 H13 Cl N2 -","- C44 H52 Cl4 N8 -","4","1","","Tsai, Andy S; Wilson, Rebecca M; Harada, Hitoshi; Bergman, Robert G; Ellman, Jonathan A","Rhodium catalyzed enantioselective cyclization of substituted imidazoles via C-H bond activation.","Chemical communications (Cambridge, England)","2009","34","26","3910","3912","10.1039/b902878a","","","1.54178","CuKα","","0.0357","0.0353","","","0.0933","0.0936","","","","","","1.082","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7105351","12.366","0.005","27.132","0.01","7.849","0.003","90","","90","","90","","2633.5","1.8","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C112 H128 N8 O16 -","4","1","","Yuan, Guozan; Zhu, Chengfeng; Liu, Yan; Fang, Yu; Cui, Yong","Water clusters induced assembly of chiral organic microstructures showing reversible phase transformations and luminescence switching.","Chemical communications (Cambridge, England)","2010","46","13","2307","2309","10.1039/b923259a","","","0.71073","MoKα","","0.1088","0.0674","","","0.1739","0.1927","","","","","","0.924","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105645","14.772","0.002","11.1689","0.0017","13.281","0.002","90","","90","","90","","2191.2","0.6","103","2","103","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H22 Br N O2 -","- C27 H22 Br N O2 -","- C108 H88 Br4 N4 O8 -","4","1","","Wang, Liang-Liang; Peng, Lin; Bai, Jian-Fei; Huang, Qing-Chun; Xu, Xiao-Ying; Wang, Li-Xin","Highly organocatalytic asymmetric Michael-ketone aldol-dehydration domino reaction: straightforward approach to construct six-membered spirocyclic oxindoles.","Chemical communications (Cambridge, England)","2010","46","42","8064","8066","10.1039/c0cc03032e","","","0.71073","MoKα","","0.038","0.0296","","","0.0418","0.0427","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105737","21.0215","0.0006","8.29","0.0002","9.0928","0.0003","90","","90","","90","","1584.59","0.08","200","","200","","","","","","","","from U of Wollongong","5","P 21 21 2","P 2 2ab","18","","","","- C16.45 H16.675 Cl2 N2.225 Pd -","- C16.45 H16.675 Cl2 N2.225 Pd -","- C65.8 H66.7 Cl8 N8.9 Pd4 -","4","1","","Steven Wales; Anthony Willis; Paul Keller","The first stereoselective syntheses of 2,2'-biindoline","Chem.Commun.","2010","46","","9226","","10.1039/c0cc04045b","","","0.71073","MoKα","","0.0267","0.0217","","0.0507","0.049","0.0507","","","","","","0.8545","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105849","25.1451","0.0004","31.1622","0.0007","14.4981","0.0007","90","","90","","90","","11360.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C88 H120 Al4 N8 O4 Zn2 -","- C88 H120 Al4 N8 O4 Zn2 -","- C352 H480 Al16 N32 O16 Zn8 -","4","1","","Janusz Lewinski; Tomasz Kaczorowski; Iwona Justyniak; Daniel Prochowicz","Development of Chiral N,N-Ditopic Metalloligands Based on Cinchona Alkaloids for Constructing Homochiral Coordination Polymers","Chem.Commun.","2011","47","","950","","10.1039/c0cc03586f","","","0.71073","MoKα","","0.0955","0.0736","","","0.1797","0.1894","","","","","","1.136","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7106062","9.6784","0.0005","24.331","0.0013","8.8933","0.0004","90","","90","","90","","2094.24","0.18","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H20 Ag Cl N O P -","- C22 H20 Ag Cl N O P -","- C88 H80 Ag4 Cl4 N4 O4 P4 -","4","1","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0561","0.0364","","","0.0666","0.0732","","","","","","1.054","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106376","19.401","0.003","24","0.003","6.6143","0.0009","90","","90","","90","","3079.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H32 Cl N O7 -","- C32 H32 Cl N O7 -","- C128 H128 Cl4 N4 O28 -","4","1","","Huai-Long Teng; He Huang; Hai-Yan Tao; Chun-Jiang Wang","Morita-Baylis-Hillman adducts as effective dipolarophiles in Copper(I)-catalyzed 1,3-dipolar cycloaddition with azomethine ylides: asymmetric construction of pyrrolidine derivatives containing quaternary stereogenic center","Chem.Commun.","2011","47","","5494","","10.1039/c1cc11138h","","","0.71073","MoKα","","0.061","0.0412","","","0.0764","0.0844","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106602","19.6727","0.0008","14.166","0.0007","5.9443","0.0002","90","","90","","90","","1656.58","0.12","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H14 Cl3 N O -","- C18 H14 Cl3 N O -","- C72 H56 Cl12 N4 O4 -","4","1","","Wentao Wang; Xiangjin Lian; Donghui Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly enantioselective yttrium(III)-catalyzed Friedel-Crafts alkylation of B-trichloro(trifluoro)methyl aryl enones with indoles","Chem.Commun.","2011","47","","7821","","10.1039/c1cc12306h","","","0.7107","MoKα","","0.0617","0.044","","","0.0685","0.0752","","","","","","1.058","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106796","16.389","0.0003","12.0113","0.0002","12.2966","0.0002","90","","90","","90","","2420.63","0.07","173","2","173","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C18 H15 Br0.5 Cl N2 Nd1.5 O8 S2 -","- C18 H15 Br0.5 Cl N2 Nd1.5 O8 S2 -","- C72 H60 Br2 Cl4 N8 Nd6 O32 S8 -","4","1","","Wang, Meng-Xi; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks","Chemical Communications (Cambridge, United Kingdom)","2011","47","35","9834","9836","10.1039/c1cc13297k","","","0.71073","MoKα","","0.0218","0.0196","","","0.0381","0.0384","","","","","","0.911","","","","has coordinates","209511","2020-10-21","18:00:00",""
"7106797","16.285","0.0005","11.9314","0.0003","12.2099","0.0004","90","","90","","90","","2372.42","0.12","173","2","173","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C18 H15 Br0.25 Cl1.25 Eu1.5 N2 O8 S2 -","- C18 H15 Br0.25 Cl1.25 Eu1.5 N2 O8 S2 -","- C72 H60 Br Cl5 Eu6 N8 O32 S8 -","4","1","","Wang, Meng-Xi; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks","Chemical Communications (Cambridge, United Kingdom)","2011","47","35","9834","9836","10.1039/c1cc13297k","","","0.71073","MoKα","","0.0569","0.0469","","","0.0784","0.0838","","","","","","0.974","","","","has coordinates","209511","2020-10-21","18:00:00",""
"7107121","20.2597","0.0006","16.3556","0.0005","17.3458","0.0005","90","","90","","90","","5747.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C59.6 H47.99 Ag Cl2.39 O4.84 P Si2 -","- C59.596 H47.992 Ag Cl2.392 O4.84 P Si2 -","- C238.384 H191.968 Ag4 Cl9.568 O19.36 P4 Si8 -","4","1","","Mihai Raducan; Maria Moreno; Christophe Bour; Antonio M. Echavarren","Phosphate ligands in the gold(I)-catalysed activation of enynes","Chem.Commun.","2012","48","","52","","10.1039/c1cc15739f","","","0.71073","MoKα","","0.1174","0.0692","","","0.1898","0.2312","","","","","","1.023","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7107182","18.1397","0.0018","33.364","0.003","12.457","0.0012","90","","90","","90","","7539.1","1.2","297","2","297","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C80 H138 K2 N40 Na4 O101 P2 W18 -","- C80 H100 K2 N40 Na4 O101 P2 W18 -","- C160 H200 K4 N80 Na8 O202 P4 W36 -","2","0.5","","Jian Lu; Jing-Xiang Lin; Xiu-Ling Zhao; Rong Cao","Photochromic hybrid materials of cucurbituril and polyoxometalates as photocatalysts under visible light","Chem.Commun.","2012","48","","669","","10.1039/c1cc16268c","","","0.71073","MoKα","","0.0505","0.0451","","","0.1221","0.1409","","","","","","1.109","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107183","18.136","0.003","33.666","0.006","12.607","0.002","90","","90","","90","","7697","2","297","2","297","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C80 H100 N40 Na8 O95.88 P2 Rb2 W18 -","- C80 H100 N40 Na4 O95.9 P2 Rb2 W18 -","- C160 H200 N80 Na8 O191.8 P4 Rb4 W36 -","2","0.5","","Jian Lu; Jing-Xiang Lin; Xiu-Ling Zhao; Rong Cao","Photochromic hybrid materials of cucurbituril and polyoxometalates as photocatalysts under visible light","Chem.Commun.","2012","48","","669","","10.1039/c1cc16268c","","","0.71073","MoKα","","0.0944","0.0858","","","0.207","0.2184","","","","","","1.203","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107337","15.612","0.002","15.6754","0.0018","7.938","0.0009","90","","90","","90","","1942.6","0.4","183","2","183","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H33 N3 Ni O5 -","- C15 H32 N3 Ni O5 -","- C60 H128 N12 Ni4 O20 -","4","1","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0581","0.0556","","","0.1462","0.1513","","","","","","1.103","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107404","24.884","0.011","27.141","0.012","14.484","0.006","90","","90","","90","","9782","7","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C39 H76 N6 S Si4 Zr -","- C39 H76 N6 S Si4 Zr -","- C312 H608 N48 S8 Si32 Zr8 -","8","2","","Thorsten Gehrmann; Matthias Kruck; Hubert Wadepohl; Lutz H. Gade","Stitching together SNx units in the coordination sphere of zirconium: assembly of a tris(imido)sulfite and a hydrazidobis(imido)sulfite","Chem.Commun.","2012","48","","2397","","10.1039/c2cc17594k","","x-ray","0.71073","MoKα","","0.0558","0.0398","","","0.0801","0.0874","","","","","","1.022","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107455","26.9842","0.0008","31.2626","0.0007","7.2309","0.0002","90","","90","","90","","6100","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C8.83 H0 O1.67 Zn0.33 -","- C8.83333 O1.66667 Zn0.333333 -","- C212 O40 Zn8 -","24","6","","Wenbin Lin; Liang Wen; Peng Cheng","Solvent-induced single-crystal to single-crystal transformation of a 2D coordination network to a 3D metal-organic framework greatly enhances porosity and hydrogen uptake","Chem.Commun.","2012","48","","2846","","10.1039/c2cc17298d","","","1.54178","CuKα","","0.1047","0.092","","","0.2399","0.2466","","","","","","1.726","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107546","23.613","0.003","9.0805","0.0011","12.8303","0.0016","90","","90","","90","","2751","0.6","106","2","106","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Potassium tetraethylamine uranyl methylenediphosphonate hydrate","","","- C4 H8 K2 O43 P8 U6 -","- C4 H8 K2 O43 P8 U6 -","- C8 H16 K4 O86 P16 U12 -","2","0.5","","Juan Diwu; Thomas Albrecht-Schmitt","Chiral Uranium Phosphonates Constructed from Achiral Units with High Porosity Frameworks","Chem.Commun.","2012","48","","3827","","10.1039/c2cc30519d","","","0.71073","MoKα","","0.0464","0.0388","","","0.0867","0.0887","","","","","","1.194","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107662","14.3885","0.0005","15.4745","0.0006","8.4241","0.0003","90","","90","","90","","1875.67","0.12","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H19 N5 O5 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","1","","Fei Wang; Yan-Xi Tan; Hui Yang; Yao Kang; Jian Zhang","Open diamondoid amino-functionalized MOFs for CO2 capture","Chem.Commun.","2012","48","","4842","","10.1039/c2cc31211e","","","0.71073","MoKα","","0.0485","0.0409","","","0.1118","0.1162","","","","","","1.023","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7108109","40.74","0.03","9.259","0.006","12.727","0.009","90","","90","","90","","4801","6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H23 Br2 N3 O3 -","- C23 H23 Br2 N3 O3 -","- C184 H184 Br16 N24 O24 -","8","2","","Jingchao Feng; Wenjin Yan; Dong Wang; Peng Li; Quantao Sun; Rui Wang","The highly enantioselective addition of indoles and pyrroles to isatins-derived N-Boc ketimines catalyzed by chiral phosphoric acids","Chem.Commun.","2012","48","","8003","","10.1039/c2cc33200k","","","0.71073","MoKα","","0.1488","0.056","","","0.0966","0.1241","","","","","","1","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108161","10.4925","0.0001","11.4782","0.0001","12.3333","0.0002","90","","90","","90","","1485.36","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Mn2 N10 Nb O12 -","- C18 H28 Mn2 N10 Nb O12 -","- C36 H56 Mn4 N20 Nb2 O24 -","2","0.5","","Dawid Pinkowicz; Michal Rams; Wojciech Nitek; Bernard Czarnecki; Barbara Sieklucka","Evidence for magnetic anisotropy of [Nb^IV^(CN)8]\4- in a pillared-layered Mn2Nb framework showing spin-flop transition","Chem.Commun.","2012","48","","8323","","10.1039/c2cc32234j","","x-ray","0.71073","MoKα","","0.0366","0.0282","","","0.0614","0.0649","","","","","","1.076","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108621","13.9973","0.0005","17.244","0.0006","4.8028","0.0002","90","","90","","90","","1159.25","0.08","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H15 N2 O6.5 -","- C10 H15 N2 O6.5 -","- C40 H60 N8 O26 -","4","1","","Sen Wang; Xin Wen; Pavle Nikolovski; Vonny Juwita; Josh Fnu Arifin","Expanding the molecular recognition repertoire of antifreeze polypeptides: effects on nucleoside crystal growth","Chem.Commun.","2012","48","","11555","","10.1039/c2cc36264c","","","0.71073","MoKα","","0.0343","0.0318","","","0.0554","0.0558","","","","","","2.877","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7108902","23.784","0.0006","24.4109","0.0006","7.39788","0.00015","90","","90","","90","","4295.13","0.17","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H31 N2 O8 P -","- C16 H31 N2 O8 P -","- C128 H248 N16 O64 P8 -","8","2","","Pance Naumov; Nobuhiro Yasuda; Wael M. Rabeh; Joel Bernstein","The elusive crystal structure of the neuraminidase inhibitor Tamiflu (oseltamivir phosphate): molecular details of action","Chemical communications (Cambridge, England)","2013","49","19","1948","1950","10.1039/c3cc38801h","","","0.83073","Synchrotron","","0.107","0.0583","","","0.1187","0.1449","","","","","","1.039","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108928","10.3329","0.001","19.6202","0.0019","7.1804","0.0007","90","","90","","90","","1455.7","0.2","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Michail Tsakos; Mark R. J. Elsegood; Christoforos G. Kokotos","Organocatalytic asymmetric domino Michael-Henry reaction for the synthesis of substituted bicyclo[3.2.1]octan-2-ones","Chemical communications (Cambridge, England)","2013","49","22","2219","2221","10.1039/c3cc39165e","","","0.71073","MoKα","","0.05","0.0412","","","0.1018","0.1074","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109105","15.6592","0.0014","25.175","0.002","10.2383","0.0009","90","","90","","90","","4036.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H94 Cl Gd N8 O34 V12 -","- C41.6 H74.542 Cl Gd N6.2 O34 V12 -","- C83.2 H149.084 Cl2 Gd2 N12.4 O68 V24 -","2","0.5","","Jamie M. Cameron; Graham N. Newton; Christoph Busche; De-Liang Long; Hiroki Oshio; Leroy Cronin","Synthesis and characterisation of a lanthanide-capped dodecavanadate cage","Chem.Commun.","2013","49","","3395","","10.1039/c3cc40912k","","","0.71073","MoKα","","0.0468","0.0391","","","0.0977","0.1011","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109129","19.851","0.004","20.966","0.005","5.1137","0.0011","90","","90","","90","","2128.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","1","","Dnyaneshwar Kand; Dinesh Pratapsinh Chauhan; Mayurika Lahiri; Pinaki Talukdar","delta-Unsaturated gamma-amino acids: enantiodivergent synthesis and cell imaging studies","Chem.Commun.","2013","49","","3591","","10.1039/c3cc40824h","","","0.71073","MoKα","","0.0473","0.0361","","","0.0774","0.082","","","","","","0.935","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109304","17.0588","0.0003","5.3048","0.0001","8.5854","0.0001","90","","90","","90","","776.92","0.02","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","0.5","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","1.54178","CuKα","","0.0301","0.0299","","","0.0751","0.0754","","","","","","1.115","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109308","18.063","0.003","20.802","0.004","7.1849","0.0012","90","","90","","90","","2699.7","0.8","153","2","153","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H27 Br N2 O3 S -","- C30 H27 Br N2 O3 S -","- C120 H108 Br4 N8 O12 S4 -","4","1","","Guo-Hua Li; Wen Zhou; Xiao-Xiao Li; Qing-Wei Bi; Zhen Wang; Zhi-Gang Zhao; Wen-Xiang Hu; Zili Chen","Gold catalyzed enantioselective intermolecular [3+2] dipolar cycloaddition of N-allenyl amides with nitrones","Chem.Commun.","2013","49","","4770","","10.1039/c3cc41769g","","","0.71073","MoKα","","0.0492","0.0396","","","0.0659","0.0692","","","","","","1","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109573","34.4419","0.0013","16.7622","0.0008","18.4473","0.0008","90","","90","","90","","10650","0.8","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C158 H172 Br Cd3 N18 O31 Ti4 -","- C158 H172 Br Cd3 N18 O31 Ti4 -","- C316 H344 Br2 Cd6 N36 O62 Ti8 -","2","0.5","","Chengfeng Zhu; Xu Chen; Zhiwei Yang; Xia Du; Yan Liu; Yong Cui","Chiral microporous Ti(salan)-based metal-organic frameworks for asymmetric sulfoxidation","Chem.Commun.","2013","49","","7120","","10.1039/c3cc43225d","","","1.54178","CuKα","","0.1197","0.0794","","","0.1873","0.2054","","","","","","1.074","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109574","34.0597","0.0005","16.9014","0.0002","18.3315","0.0003","90","","90","","90","","10552.6","0.3","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C162 H180 N18 O30 Ti4 Zn3 -","- C162 H180 N18 O30 Ti4 Zn3 -","- C324 H360 N36 O60 Ti8 Zn6 -","2","0.5","","Chengfeng Zhu; Xu Chen; Zhiwei Yang; Xia Du; Yan Liu; Yong Cui","Chiral microporous Ti(salan)-based metal-organic frameworks for asymmetric sulfoxidation","Chem.Commun.","2013","49","","7120","","10.1039/c3cc43225d","","","1.54178","CuKα","","0.1145","0.0984","","","0.2573","0.2757","","","","","","1.084","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109773","17.997","0.002","18.266","0.002","14.8576","0.0016","90","","90","","90","","4884.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H61 N3 O Si2 Zn -","- C35 H61 N3 O Si2 Zn -","- C140 H244 N12 O4 Si8 Zn4 -","4","1","","Haobing Wang; Haiyan Ma","Highly diastereoselective synthesis of chiral aminophenolate zinc complexes and isoselective polymerization of rac-lactide","Chem.Commun.","2013","49","","8686","","10.1039/c3cc44980g","","","0.71073","MoKα","","0.1528","0.0653","","","0.1456","0.1742","","","","","","0.808","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109868","13.151","0.008","23.056","0.013","7.806","0.005","90","","90","","90","","2367","2","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H23 O2 P Se -","- C29 H23 O2 P Se -","- C116 H92 O8 P4 Se4 -","4","1","","Toshiaki Murai; Yuuki Maekawa; Masaki Monzaki; Takafumi Ando; Toshifumi Maruyama","Anti-Markovnikov hydrophosphoroselenoylation of alkenes using phosphorodiselenoic acid esters leading to the formation of phosphonoselenoic acid esters","Chem.Commun.","2013","49","","9675","","10.1039/c3cc45912h","","","0.7107","MoKα","","0.052","0.0477","","","0.0932","0.0949","","","","","","1.121","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109905","37.1603","0.0008","11.1559","0.0003","15.1723","0.0003","90","","90","","90","","6289.8","0.2","170","","170","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C140 H158 Cl N9 O6 -","- C140 H158 Cl N9 O6 -","- C280 H316 Cl2 N18 O12 -","2","0.5","","Dan A Kim; Philjae Kang; Moon-Gun Choi; Kyu-Sung Jeong","A chiral indolocarbazole foldamer displaying strong circular dichroism responsive to anion binding","Chem.Commun.","2013","49","","9743","","10.1039/c3cc45989f","","","1.54178","CuKα","","0.0906","0.0617","","","0.1587","0.1816","","","","","","1.063","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7110043","17.8231","0.0003","25.0117","0.0017","9.9239","0.0001","90","","90","","90","","4423.9","0.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H51 N6 O8 S -","- C43 H51 N6 O8 S -","- C172 H204 N24 O32 S4 -","4","1","","Qian Shao; Jiean Chen; Meihua Tu; David W. Piotrowski; Yong Huang","Enantioselective synthesis of 1,2,4-triazolines catalyzed by a cinchona alkaloid-derived organocatalyst","Chem.Commun.","2013","49","","11098","","10.1039/c3cc46757k","","","1.54187","CuKα","","0.0888","0.0793","","","0.2062","0.2168","","","","","","1.54","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110415","29.557","0.001","9.069","0.003","12.422","0.004","90","","90","","90","","3329.7","1.5","173","","173","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C60 H106 Cl6 I2 O P2 Pt -","- C60 H102 Cl6 I2 O P2 Pt -","- C120 H204 Cl12 I4 O2 P4 Pt2 -","2","0.5","","Soulivong, Daravong; Matt, Dominique; Ziessel, Raymond","The first transition metal cholesteryl-phosphine complexes","Chemical Communications","1999","","4","393","","10.1039/a809041f","","","1.54184","Cu-Kα","","0.05","0.046","","0.07","","0.066","","","1.091","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110659","17.8937","0.0005","31.1163","0.0009","10.8869","0.0003","90","","90","","90","","6061.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C68.46 H60 N4.23 O3 P3 -","- C68.458 H60 N4.229 O3 P3 -","- C273.832 H240 N16.916 O12 P12 -","4","1","","Butts, Craig P.; Crosby, John; Lloyd-Jones, Guy C.; Stephen, Susanna C.","Robust and catalytically active mono- and bis-Pd-complexes of the ‘Trost modular ligand’","Chemical Communications","1999","","17","1707","","10.1039/a905851f","","","0.71073","MoKα","","0.1277","0.0587","","0.1207","0.0983","","","","0.978","1.072","1.072","","","","","has coordinates,has disorder","180220","2020-10-21","18:00:00",""
"7111360","27.4346","0.0009","12.8063","0.0009","14.2675","0.0009","90","","90","","90","","5012.7","0.5","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Dichloro((S)-(+)-2,2'-bis(dicyclohexylphosphino)-1,1'- binaphthyl)palladium","","","- C44 H56 Cl2 P2 Pd -","- C44 H56 Cl2 P2 Pd -","- C176 H224 Cl8 P8 Pd4 -","4","1","","Mikami, Koichi; Miyamoto, Takashi; Hatano, Manabu","A highly efficient asymmetric Suzuki?Miyaura coupling reaction catalyzed by cationic chiral palladium(ii) complexes","Chemical Communications","2004","","18","2082","2083","10.1039/b407250b","","","0.71069","MoKα","","0.095","0.0916","","","0.2671","0.272","","","","","","1.187","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111516","13.465","0.003","16.024","0.003","3.81","0.0008","90","","90","","90","","822.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C9 H11 O3.5 -","- C9 H11 O3.5 -","- C36 H44 O14 -","4","1","","Bailey, Andrew M.; Cox, Russell J.; Harley, Kate; Lazarus, Colin M.; Simpson, Thomas J.; Skellam, Elizabeth","Characterisation of 3-methylorcinaldehyde synthase (MOS) in Acremonium strictum: first observation of a reductive release mechanism during polyketide biosynthesis","Chemical Communications","2007","","39","4053","4055","10.1039/b708614h","","","0.71073","MoKα","","0.0535","0.0478","","","0.1267","0.1422","","","","","","1.233","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111601","21.627","0.01","21.826","0.01","17.238","0.008","90","","90","","90","","8137","7","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H88 N4 O21 Rh2 -","- C84 H88 N4 O21 Rh2 -","- C336 H352 N16 O84 Rh8 -","4","1","","DeAngelis, Andrew; Boruta, David T.; Lubin, Jean-Bernard; Plampin, III, James N.; Yap, Glenn P. A.; Fox, Joseph M.","The chiral crown conformation in paddlewheel complexes","Chemical Communications","2010","46","25","4541","4543","10.1039/c001557a","","","0.71073","MoKα","","0.0479","0.0401","","","0.0975","0.1038","","","","","","1.065","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111602","25.068","0.004","26.409","0.004","10.1657","0.0015","90","","90","","90","","6729.9","1.8","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64 H71 Cu2 N7 O17 -","- C60 H65 Cu2 N5 O17 -","- C240 H260 Cu8 N20 O68 -","4","1","","DeAngelis, Andrew; Boruta, David T.; Lubin, Jean-Bernard; Plampin, III, James N.; Yap, Glenn P. A.; Fox, Joseph M.","The chiral crown conformation in paddlewheel complexes","Chemical Communications","2010","46","25","4541","4543","10.1039/c001557a","","","0.71073","MoKα","","0.055","0.0465","","","0.1089","0.1143","","","","","","1.071","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111763","12.2734","0.0012","12.7812","0.0013","8.6196","0.0009","90","","90","","90","","1352.1","0.2","100","","100","","","","","","","","dimethylsulfoxide/water","5","P 21 21 2","P 2 2ab","18","cyclo-bis-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) di(dimethylsulfoxide) solute","cyclo-bis-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) di(dimethylsulfoxide) solute","","- C24 H30 N10 O4 S2 -","- C24 H30 N10 O4 S2 -","- C48 H60 N20 O8 S4 -","2","0.5","","Krause, Martin R.; Goddard, Richard; Kubik, Stefan","Formation of a cyclic tetrapeptide mimic by thermal azide‒alkyne 1,3-dipolar cycloaddition","Chemical Communications","2010","46","29","5307","5309","10.1039/c0cc01154a","","","0.71073","Mo-Kα","","0.0776","0.0751","","","0.1809","0.1819","","","","","","1.226","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112212","13.838","0.0001","23.1751","0.0002","9.8098","0.0001","90","","90","","90","","3145.97","0.05","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H15.14 N2 Se7 Sn3 -","- C9 H15.14 N2 Se7 Sn3 -","- C36 H60.56 N8 Se28 Sn12 -","4","1","","Qipu Lin; Xianhui Bub; Pingyun Feng","An infinite square lattice of super-supertetrahedral T6-like tin oxyselenide clusters","Chem.Commun.","2014","50","","4044","","10.1039/C4CC00583J","","","0.71073","MoKα","","0.0329","0.0305","","","0.0953","0.0965","","","","","","1.106","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7114067","12.257","0.003","13.001","0.003","12.305","0.003","90","","90","","90","","1960.8","0.8","200","","200","","","","","","","","see paper","7","P 21 21 2","P 2 2ab","18","","Bis[(1-isopropylmethyl-methylene-oxy-5-yl)(2-isopropylmethyl- methylene-oxo-4-yl)imidazol-2-ylidene]palladium diiodide chloroform solvate","","- C28 H42 Cl6 I2 N4 O4 Pd -","- C28 H40 Cl6 I2 N4 O4 Pd -","- C56 H80 Cl12 I4 N8 O8 Pd2 -","2","0.5","","Glorius, Frank; Altenhoff, Gereon; Goddard, Richard; Lehmann, Christian","Oxazolines as chiral building blocks for imidazolium salts and N-heterocyclic carbene ligandsElectronic supplementary information (ESI) available: spectroscopic data for 10 and 12. See http://www.rsc.org/suppdata/cc/b2/b208045a/","Chemical Communications","2002","","22","2704","","10.1039/b208045a","","","0.71073","MoKα","","0.0745","0.0431","","","0.0741","0.0848","","","","","","1.084","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114434","11.107","0.002","14.926","0.002","6.7163","0.001","90","","90","","90","","1113.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H26 Cl2 N4 Ti -","- C23 H26 Cl2 N4 Ti -","- C46 H52 Cl4 N8 Ti2 -","2","0.5","","Novak, Andrew; Blake, Alexander J.; Wilson, Claire; Love, Jason B.","Titanium and zirconium complexes supported by dipyrrolide ligandsElectronic supplementary information (ESI) available: Full experimental, NMR and analytical data. See http://www.rsc.org/suppdata/cc/b2/b208751k/","Chemical Communications","2002","","23","2796","","10.1039/b208751k","","","0.71073","MoKα","","0.0795","0.048","","","0.0921","0.1009","","","","","","0.913","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7114581","12.309","0.003","23.558","0.005","7.8737","0.0016","90","","90","","90","","2283.2","0.9","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C29 H19 N4 O2 -","- C29 H19 N4 O2 -","- C116 H76 N16 O8 -","4","1","","Bing Liu; Enxiang Wei; Shaoxia Lin; Baozhong Zhao; Fushun Liang","Synthesis of spiro[isoquinolinone-4,2'-oxiranes] and isoindolinones via a multicomponent reaction of 2-acetyl-oxirane-2-carboxamides, arylaldehydes and malononitrile","Chem.Commun.","2014","50","","6995","","10.1039/C4CC02141J","","","0.71073","MoKα","","0.0677","0.0482","","","0.0864","0.0942","","","","","","1.016","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7115614","15.6237","0.0015","16.1007","0.0016","9.9759","0.001","90","","90","","90","","2509.5","0.4","133","2","133","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C26 H37 Cl Ir N O P -","- C26 H37 Cl Ir N O P -","- C104 H148 Cl4 Ir4 N4 O4 P4 -","4","1","","Xiangqing Jia; Lei Zhang; Chuan Qin; Xuebing Leng; Zheng Huang","Iridium complexes of new NCP pincer ligands: catalytic alkane dehydrogenation and alkene isomerization","Chem.Commun.","2014","50","","11056","","10.1039/C3cc46851H","","","0.71073","MoKα","","0.0327","0.0263","","","0.0507","0.0528","","","","","","0.88","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115762","34.891","0.004","6.7332","0.0007","7.8957","0.0009","90","","90","","90","","1854.9","0.4","100","","100","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C16 H27 F N O2 P S -","- C16 H27 F N O2 P S -","- C64 H108 F4 N4 O8 P4 S4 -","4","1","","Toshiaki Murai; Takae Hayashi; Kyohei Yamada; Yuuki Maekawa; Mao Minoura","Fluorinative hydrolysis of phosphorothioic acid esters with a binaphthyl group through axis-to-center chirality transfer leading to the formation of P-chiral phosphorothioic monofluoridic acid salts","Chem.Commun.","2014","50","","12473","","10.1039/C4cc05198J","","","0.71073","MoKα","","0.0378","0.0346","","","0.0942","0.1018","","","","","","1.186","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7116243","27.6754","0.0009","10.0575","0.0003","14.6734","0.0006","90","","90","","90","","4084.3","0.2","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 2","P 2 2ab","18","","","","- C24 H26 Br2 N2 -","- C24 H26 Br2 N2 -","- C144 H156 Br12 N12 -","6","1.5","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0611","0.0409","","","0.0732","0.0772","","","","","","0.936","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116385","26.0606","0.001","28.4219","0.0009","23.3299","0.0009","90","","90","","90","","17280.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C126 H108 Eu2 N18 O12 -","- C126 H108 Eu2 N18 O12 -","- C504 H432 Eu8 N72 O48 -","4","1","","Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law","Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix","Chem.Commun.","2015","51","","592","","10.1039/C4cc08362H","","","0.71073","MoKα","","0.1073","0.0607","","","0.0986","0.1062","","","","","","1.01","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116443","18.7826","0.001","19.9113","0.0012","10.6111","0.0005","90","","90","","90","","3968.4","0.4","186","2","186","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C62 H83 La N12 O19 Rh4 -","- C62 H70.294 La N12 O19 Rh4 -","- C124 H140.588 La2 N24 O38 Rh8 -","2","0.5","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0723","0.0624","","","0.174","0.1827","","","","","","1.069","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116444","18.4641","0.0007","19.8783","0.0008","10.5405","0.0003","90","","90","","90","","3868.7","0.2","186","2","186","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C62 H83 Eu N12 O19 Rh4 -","- C62 H73.348 Eu N12 O19 Rh4 -","- C124 H146.696 Eu2 N24 O38 Rh8 -","2","0.5","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0578","0.0493","","","0.1256","0.1349","","","","","","1.077","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7117241","35.0384","0.0012","9.1217","0.0003","16.6331","0.0006","90","","90","","90","","5316.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 Cl3 N3 Pt -","- C26 H30 Cl3 N3 Pt -","- C208 H240 Cl24 N24 Pt8 -","8","2","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0576","0.0457","","","0.1018","0.1076","","","","","","1.055","","","","has coordinates","137605","2020-10-21","18:00:00",""
"7117517","30.262","0.014","51.48","0.02","4.0818","0.0019","90","","90","","90","","6359","5","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C42 H21 O3 P -","- C42 H21 O3 P -","- C336 H168 O24 P8 -","8","2","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.1426","0.0901","","","0.1675","0.1854","","","","","","1.084","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117708","25.8932","0.0004","14.78371","0.00018","13.25563","0.00018","90","","90","","90","","5074.22","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C67.63 H55.63 Fe3 N4 O0.63 -","- C67.628 H55.628 Fe3 N4 O0.628 -","- C270.512 H222.512 Fe12 N16 O2.512 -","4","1","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0634","0.0521","","","0.1125","0.1168","","","","","","1.111","","","","has coordinates,has disorder","153827","2020-10-21","18:00:00",""
"7117844","32.5454","0.0006","12.2814","0.0002","13.942","0.0002","90","","90","","90","","5572.66","0.16","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H48 Cl Ir N6 O -","- C60 H46 Cl Ir N6 O -","- C240 H184 Cl4 Ir4 N24 O4 -","4","1","","Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini","Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons","Chem.Commun.","2015","51","","14785","","10.1039/C5cc06427A","","","0.71073","MoKα","","0.0383","0.0322","","","0.0566","0.0569","","","","","","1.098","","","","has coordinates","158283","2020-10-21","18:00:00",""
"7117845","32.7712","0.0007","12.3271","0.0004","13.9638","0.0004","90","","90","","90","","5641","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H48 Cl Ir N6 O -","- C60 H46 Cl Ir N6 O -","- C240 H184 Cl4 Ir4 N24 O4 -","4","1","","Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini","Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons","Chem.Commun.","2015","51","","14785","","10.1039/C5cc06427A","","","0.71073","MoKα","","0.0427","0.0337","","","0.0659","0.0685","","","","","","1.023","","","","has coordinates","158283","2020-10-21","18:00:00",""
"7117979","22.7598","0.0004","74.1769","0.001","13.0562","0.0003","90","","90","","90","","22042.1","0.7","143","2","143.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Tris-1,10-phenanthroline cobalt(III) Boron(bis-mandelate)","","- C84 H60 B3 Co N6 O18 -","- C84 H60 B3 Co N6 O18 -","- C1008 H720 B36 Co12 N72 O216 -","12","3","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","","0.71073","MoKα","","0.0912","0.0733","","","0.1552","0.1643","","","","","","1.046","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118027","13.1691","0.0014","38.663","0.004","7.1029","0.0008","90","","90","","90","","3616.5","0.7","293","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H15 F3 O3 S2 -","- C18 H15 F3 O3 S2 -","- C144 H120 F24 O24 S16 -","8","2","","Kui Liao; Feng Zhou; Jin-Sheng Yu; Wei-Ming Gao; Jian Zhou","Catalytic asymmetric sulfenylation to structurally diverse dithioketals","Chem.Commun.","2015","51","","16255","","10.1039/C5cc07010D","","","0.71073","MoKα","","0.113","0.0672","","","0.1789","0.202","","","","","","1.143","","","","has coordinates","169965","2020-10-21","18:00:00",""
"7118079","10.8177","0.0007","18.8289","0.0012","7.6272","0.0005","90","","90","","90","","1553.55","0.17","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","compound 8","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C64 H72 Au4 Cl4 Fe4 N4 O4 -","2","0.5","","Marta Ayerbe Garcia; Wolfgang Frey; Mark R. Ringenberg; Max Schwilk; Rene Peters","Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes","Chem.Commun.","2015","51","","16806","","10.1039/C5cc07018J","","","0.71073","MoKα","","0.0217","0.0192","","","0.0389","0.0394","","","","","","0.922","","","","has coordinates,has disorder","171772","2020-10-21","18:00:00",""
"7118177","14.0216","0.0005","21.3117","0.0008","6.4976","0.0002","90","","90","","90","","1941.64","0.12","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 N2 O6 S -","- C20 H26 N2 O6 S -","- C80 H104 N8 O24 S4 -","4","1","","Pedras, M. S. C.; To, Q. H.; Schatte, G.","Divergent reactivity of an indole glucosinolate yields Lossen or Neber rearrangement products: the phytoalexin rapalexin A or a unique β-d-glucopyranose fused heterocycle.","Chemical communications (Cambridge, England)","2016","52","12","2505","2508","10.1039/c5cc09822j","","","0.68879","synchrotron","","0.0415","0.0409","","","0.1103","0.1121","","","","","","1.077","","","","has coordinates","175866","2020-10-21","18:00:00",""
"7118897","22.4","0.0009","29.9961","0.0013","9.5945","0.0004","90","","90","","90","","6446.7","0.5","122","","122","","","","","","","","synthesis","4","P 21 21 2","P 2 2ab","18","","BocN-(ACPC)6-(Leu)2-OBn","","- C61 H95 N8 O12 -","- C60.737 H94.856 N8 O11.783 -","- C242.948 H379.424 N32 O47.132 -","4","1","","Yoon, Eunyoung; Gong, Jintaek; Jung, Yoonchul; Lee, Wonchul; Driver, Russell W.; Lee, Hee-Seung","Unambiguous characterization of anisotropic foldamer packing in a foldecture with an elongated hexagonal plate shape.","Chemical communications (Cambridge, England)","2016","52","30","5250","5253","10.1039/c6cc00502k","","","0.71073","MoKα","","0.0529","0.0508","","0.1334","0.1317","0.1334","","","","","","0.9351","","","","has coordinates,has disorder","182594","2020-10-21","18:00:00",""
"7119255","10.1361","0.0003","20.7607","0.0008","14.8742","0.0007","90","","90","","90","","3130","0.2","293","2","293.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H28 Cl2 N Ni O P -","- C30 H28 Cl2 N Ni O P -","- C120 H112 Cl8 N4 Ni4 O4 P4 -","4","1","","Quan, Mao; Tang, Liang; Shen, Jiaqi; Yang, Guoqiang; Zhang, Wanbin","Ni(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic imines.","Chemical communications (Cambridge, England)","2017","53","3","609","612","10.1039/c6cc08759k","","","0.71073","MoKα","","0.0461","0.0364","","","0.086","0.0916","","","","","","1.026","","","","has coordinates","189785","2020-10-21","18:00:00",""
"7119436","17.7662","0.0011","34.295","0.002","16.3935","0.0011","90","","90","","90","","9988.4","1.1","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C78 H122 Dy2 N6 O12 -","- C77.988 H121.973 Dy2 N6 O12 -","- C311.952 H487.892 Dy8 N24 O48 -","4","1","","Dolinar, Brian S.; Gómez-Coca, Silvia; Alexandropoulos, Dimitris I.; Dunbar, Kim R.","An air stable radical-bridged dysprosium single molecule magnet and its neutral counterpart: redox switching of magnetic relaxation dynamics.","Chemical communications (Cambridge, England)","2017","53","14","2283","2286","10.1039/c6cc09824j","","x-ray","0.71073","MoKα","K-L~3~","0.0803","0.0545","","","0.1052","0.1133","","","","","","1.03","","","","has coordinates,has disorder","193692","2020-10-21","18:00:00",""
"7119687","19.5766","0.0015","8.3899","0.0007","9.3442","0.0007","90","","90","","90","","1534.7","0.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","1","","Cai, Sen-Lin; Yuan, Bin-Hua; Jiang, Yi-Xiang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric cinnamylation of N-tert-butanesulfinyl imines with cinnamyl acetates: total syntheses of (+)-lycoricidine and (+)-7-deoxypancratistatin.","Chemical communications (Cambridge, England)","2017","53","25","3520","3523","10.1039/c7cc00108h","","","1.54178","CuKα","","0.0321","0.0303","","","0.0836","0.0848","","","","","","1.088","","","","has coordinates","194972","2020-10-21","18:00:00",""
"7119840","18.3227","0.0007","21.8362","0.0009","11.4317","0.0005","90","","90","","90","","4573.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37 H23 Dy F24 N2 O8 -","- C37 H23 Dy F24 N2 O8 -","- C148 H92 Dy4 F96 N8 O32 -","4","1","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0867","0.0358","","","0.0647","0.0764","","","","","","1.053","","","","has coordinates,has disorder","194924","2020-10-21","18:00:00",""
"7119841","18.3282","0.0009","21.8066","0.0009","11.4128","0.0005","90","","90","","90","","4561.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37 H23 Dy F24 N2 O8 -","- C37 H23 Dy F24 N2 O8 -","- C148 H92 Dy4 F96 N8 O32 -","4","1","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0938","0.0375","","","0.058","0.0698","","","","","","1.044","","","","has coordinates,has disorder","194924","2020-10-21","18:00:00",""
"7120003","20.072","0.004","16.329","0.004","16.631","0.004","90","","90","","90","","5451","2","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H55 Eu N O22 -","- C44 H36 Eu N O22 -","- C176 H144 Eu4 N4 O88 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0577","0.0471","","","0.1341","0.1424","","","","","","1.052","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120004","20.118","0.004","16.652","0.003","16.747","0.003","90","","90","","90","","5610.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H56 N O22 Sm -","- C44 H51 N O22 Sm -","- C176 H204 N4 O88 Sm4 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0854","0.0585","","","0.177","0.1944","","","","","","1.064","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120005","20.056","0.004","16.412","0.003","16.648","0.003","90","","90","","90","","5479.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H56 N O22 Tb -","- C44 H51 N O22 Tb -","- C176 H204 N4 O88 Tb4 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0895","0.0679","","","0.1853","0.202","","","","","","1.071","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120023","16.99","0.008","35.806","0.016","8.617","0.004","90","","90","","90","","5242","4","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C58.35 H36.7 Cl0.7 Co F10 N6 O4 P -","- C58.35 H36.7 Cl0.7 Co F10 N6 O4 P -","- C233.4 H146.8 Cl2.8 Co4 F40 N24 O16 P4 -","4","1","","Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui","Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution","Chem. Commun.","2017","","","","","10.1039/C7CC02400B","","","0.71073","MoKα","","0.0684","0.0558","","","0.1298","0.1392","","","","","","1.083","","","","has coordinates","195795","2020-10-21","18:00:00",""
"7120199","25.256","0.005","26.729","0.005","9.538","0.0019","90","","90","","90","","6439","2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H114 N10 O30 -","- C44 H78 N10 O12 -","- C176 H312 N40 O48 -","4","1","","Silk, Mitchell; Newman, Janet; Ratcliffe, Julian; White, Jacinta; Caradoc-Davies, Tom; Price, Jason R.; Perrier, Sebastien; Thompson, Philip Evan; Chalmers, David K.","Parallel and Antiparallel Cyclic D/L Peptide Nanotubes","Chem. Commun.","2017","","","","","10.1039/C7CC00846E","","","0.71073","synchrotron","","0.1277","0.0713","","","0.1768","0.2103","","","","","","0.967","","","","has coordinates,has disorder","197052","2020-10-21","18:00:00",""
"7120277","16.3458","0.0013","16.7974","0.0013","13.2752","0.001","90","","90","","90","","3644.9","0.5","296","2","296.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C42 H44 N4 O4 -","- C42 H44 N4 O4 -","- C168 H176 N16 O16 -","4","1","","DAS, SUJOY; Sarkar, Himadri Sekhar Sekhar; Uddin, Md. Raihan; Rissanen, Kari; Mandal, Sukhendu; Sahoo, Prithidipa","Differential detection and quantification of cyclic AMP and other adenosine phosphates in live cell","Chem. Commun.","2017","","","","","10.1039/C7CC02935G","","","0.71073","MoKα","","0.0794","0.0519","","","0.1271","0.155","","","","","","1.204","","","","has coordinates","197833","2020-10-21","18:00:00",""
"7120563","14.4524","0.0009","15.4426","0.0006","13.0677","0.0005","90","","90","","90","","2916.5","0.2","150.03","0.1","150.03","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C32 H46 Dy2 -","- C32 H46 Dy2 -","- C128 H184 Dy8 -","4","1","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.0898","0.0728","","","0.1626","0.1727","","","","","","1.084","","","","has coordinates,has disorder","199784","2020-10-21","18:00:00",""
"7120566","14.4805","0.0004","15.464","0.0003","13.0556","0.0002","90","","90","","90","","2923.49","0.11","150.02","0.1","150.02","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C32 H46 Y2 -","- C32 H46 Y2 -","- C128 H184 Y8 -","4","1","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.0641","0.0532","","","0.1213","0.1277","","","","","","1.047","","","","has coordinates,has disorder","199784","2020-10-21","18:00:00",""
"7120765","28.2881","0.0008","29.3527","0.0008","10.8184","0.0003","90","","90","","90","","8982.9","0.4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C69 H116 Cl6 N2 O33 Pd -","- C69 H116 Cl6 N2 O33 Pd -","- C276 H464 Cl24 N8 O132 Pd4 -","4","1","","Sechet, D.; Kaya, Z.; Phan, T.-A.; Jouffroy, M.; Bentouhami, E.; Armspach, D.; Matt, D.; Toupet, L.","Aza-capped cyclodextrins for intra-cavity metal complexation","Chem. Commun.","2017","","","","","10.1039/C7CC06434A","","","1.54178","CuKα","","0.0818","0.0575","","","0.126","0.1365","","","","","","1.048","","","","has coordinates,has disorder","201958","2020-10-21","18:00:00",""
"7120816","34.757","0.001","17.7053","0.0005","23.9558","0.0006","90","","90","","90","","14742","0.7","100","2","100.01","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C106 H118 Cd2 Mn2 N12 O18.71 V -","- C106 H118 Cd2 Mn2 N12 O18.7065 V -","- C424 H472 Cd8 Mn8 N48 O74.826 V4 -","4","1","","Li, Zijian; Liu, Yan; Xia, Qingchun; Cui, Yong","Chiral binary metal-organic frameworks for asymmetric sequential reactions","Chem. Commun.","2017","","","","","10.1039/C7CC06979K","","","1.54178","CuKα","","0.0715","0.0639","","","0.1649","0.1712","","","","","","1.045","","","","has coordinates,has disorder","202287","2020-10-21","18:00:00",""
"7120829","15.3761","0.0015","17.6529","0.0017","8.9032","0.0009","90","","90","","90","","2416.6","0.4","","","","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C48 H40 Cl2 O4 P2 Pd2 S2 -","- C48 H40 Cl2 O4 P2 Pd2 S2 -","- C96 H80 Cl4 O8 P4 Pd4 S4 -","2","0.5","","Tu, Tao; Zhu, Haibo; Shen, Yajing; Deng, Qinyue; Chen, Jinjin","Pd(NHC)-Catalyzed Alkylsulfonylation of Boronic Acids: A General and Efficient Approach for Sulfone Synthesis","Chem. Commun.","2017","","","","","10.1039/C7CC05851A","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","202338","2020-10-21","18:00:00",""
"7120960","18.0961","0.0005","18.4979","0.0011","9.1885","0.0011","90","","90","","90","","3075.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C37 H26 Br N O3 -","- C37 H26 Br N O3 -","- C148 H104 Br4 N4 O12 -","4","1","","Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Ding, Liyuan; Jiang, Shengsheng; Yang, Limin; Zhong, Guofu","NHC-catalyzed [4+2] cycloaddition reactions for the synthesis of 3'-spirocyclic oxindoles via a C-F bond cleavage protocol.","Chemical communications (Cambridge, England)","2018","54","13","1567","1570","10.1039/c7cc08048d","","","0.71073","MoKα","","0.2007","0.0917","","","0.1587","0.1935","","","","","","1.007","","","","has coordinates","228388","2020-10-21","18:00:00",""
"7122290","13.8223","0.0011","25.3271","0.0017","11.6674","0.0009","90","","90","","90","","4084.5","0.5","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H43 Cd N5 O12 -","- C40 H43 Cd N5 O12 -","- C160 H172 Cd4 N20 O48 -","4","1","","Zhang, Qingfu; Lei, Mingyuan; Kong, Fang; Yang, Yan","A water-stable homochiral luminescent MOF constructed from an achiral acylamide-containing dicarboxylate ligand for enantioselective sensing of penicillamine.","Chemical communications (Cambridge, England)","2018","54","77","10901","10904","10.1039/c8cc06274a","","","0.71073","MoKα","","0.1423","0.0582","","","0.1126","0.144","","","","","","1.034","","","","has coordinates","228071","2020-10-21","18:00:00",""
"7122291","13.8223","0.0011","25.3271","0.0017","11.6674","0.0009","90","","90","","90","","4084.5","0.5","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H43 Cd N5 O12 -","- C40 H43 Cd N5 O12 -","- C160 H172 Cd4 N20 O48 -","4","1","","Wang, Hongyu; Man, Yunquan; Wang, Kaiye; Wan, Xiuyan; Tong, Lili; Li, Na; Tang, Bo","Hydrogen bond directed aerobic oxidation of amines via photoredox catalysis.","Chemical communications (Cambridge, England)","2018","54","78","10989","10992","10.1039/c8cc06603e","","","0.71073","MoKα","","0.1423","0.0582","","","0.1126","0.144","","","","","","1.034","","","","has coordinates","227989","2020-10-21","18:00:00",""
"7122664","18.247","0.003","18.281","0.003","9.4115","0.0017","90","","90","","90","","3139.4","0.9","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C8 H35 Co4 F N6 O25 P6 -","- C8 H35 Co4 F N6 O25 P6 -","- C32 H140 Co16 F4 N24 O100 P24 -","4","1","","Tong, Xiaoqiang; Jing, Chaojie; Dong, Zhaojun; Zhang, Na; Bi, Lijun; Wang, Yanyan; Cai, Hua; An, Dongmin; Lian, Xiaoxue; Wang, qiong; Zhou, Qingjun; Guo, Ying; Yan, Yan; Yan, Wenfu","A chiral open-framework fluorinated cobalt phosphate consists of distorted F-encapsulated double 4-ring units with bulk homochirality","Chemical Communications","2018","","","","","10.1039/C8CC07161F","","","0.71073","MoKα","","0.0624","0.0444","","","0.0736","0.0785","","","","","","0.909","","","","has coordinates","212242","2020-10-21","18:00:00",""
"7122773","15.0461","0.0001","28.683","0.0002","7.8724","0.0001","90","","90","","90","","3397.47","0.05","293","2","293","2","","","","","","","Ascidian-derived fungi","5","P 21 21 2","P 2 2ab","18","","Compound 1","","- C36 H42 Cl3 N O5 -","- C36 H42 Cl3 N O5 -","- C144 H168 Cl12 N4 O20 -","4","1","","Chen, Senhua; Shen, Hongjie; Zhang, Panpan; Cheng, Hongwei; Dai, Xingliang; Liu, Lan","Anti-glioma trichobamide A with an unprecedented tetrahydro-5H-furo[2,3-b]pyrrol-5-one functionality from ascidian-derived fungus Trichobotrys effuse 4729","Chemical Communications","2019","","","","","10.1039/C8CC08970A","","","1.54178","CuKα","","0.0439","0.0424","","","0.1118","0.1137","","","","","","1.031","","","","has coordinates","212897","2020-10-21","18:00:00",""
"7123098","11.8989","0.0004","12.7089","0.0004","23.2281","0.0007","90","","90","","90","","3512.6","0.19","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C28 H34 Cl4 Ir N2 O2 -","- C28 H34 Cl4 Ir N2 O2 -","- C112 H136 Cl16 Ir4 N8 O8 -","4","1","","Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming","Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity","Chemical Communications","2019","","","","","10.1039/C8CC10220A","","","1.54178","CuKα","","0.0265","0.0251","","","0.0661","0.0677","","","","","","1.046","","","","has coordinates","214038","2020-10-21","18:00:00",""
"7123165","19.0268","0.0007","7.3586","0.0003","8.0423","0.0003","90","","90","","90","","1126.01","0.07","103","2","103","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H8 I2 O2 S -","- C8 H8 I2 O2 S -","- C32 H32 I8 O8 S4 -","4","1","","Dichiarante, Valentina; Kaiho, Tatsuo; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Diiodomethyl-sulfonyl moiety: An unexplored halogen bond-donor motif","Chemical Communications","2019","","","","","10.1039/C9CC01092K","","","0.71073","MoKα","","0.0145","0.0139","","","0.0286","0.0287","","","","","","1.191","","","","has coordinates","214231","2020-10-21","18:00:00",""
"7123360","11.3416","0.0005","21.5398","0.0008","7.7573","0.0003","90","","90","","90","","1895.08","0.13","150","2","150","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C34 H42 Dy F7 N8 O7 S2 -","- C34 H42 Dy F7 N8 O7 S2 -","- C68 H84 Dy2 F14 N16 O14 S4 -","2","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","","0.0227","0.0212","","","0.0477","0.0485","","","","","","1.014","","","","has coordinates","214857","2020-10-21","18:00:00",""
"7123363","15.6208","0.0015","11.2655","0.0007","9.9974","0.0008","90","","90","","90","","1759.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H20 F2 N2 O3 -","- C17 H20 F2 N2 O3 -","- C68 H80 F8 N8 O12 -","4","1","","Yang, Zi; Song, Zhenyu; Jie, Lianghua; Wang, Lianhui; Cui, Xiuling","Iridium(III)-catalysed annulation of pyrazolidinones with propiolates: a facile route to pyrazolo[1,2-a] indazoles","Chemical Communications","2019","","","","","10.1039/C9CC02232E","","x-ray","0.71073","MoKα","","0.0981","0.0553","","","0.1483","0.1764","","","","","","1.028","","","","has coordinates,has disorder","214858","2020-10-21","18:00:00",""
"7123570","10.2024","0.0003","31.7463","0.001","6.5544","0.0002","90","","90","","90","","2122.89","0.11","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H24 Br N3 O4 -","- C20 H24 Br N3 O4 -","- C80 H96 Br4 N12 O16 -","4","1","","Deng, Wei-Ping; Deng, Hua; Jia, Renmeng; Yang, Wu-Lin; Yu, Xingxin","Ligand-Controlled Switch in Diastereoselectivities: Catalytic Asymmetric Construction of Spirocyclic Pyrrolidine-azetidine/oxe(thie)tane Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03589C","","","0.71073","MoKα","","0.0552","0.0369","","","0.0832","0.0905","","","","","","1.034","","","","has coordinates","215610","2020-10-21","18:00:00",""
"7123657","13.3056","0.0006","13.807","0.0007","12.8135","0.0006","90","","90","","90","","2353.97","0.19","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C43 H66 Mg N2 O4 S3 -","- C43 H66 Mg N2 O4 S3 -","- C86 H132 Mg2 N4 O8 S6 -","2","0.5","","Wang, Yuzhong; Maxi, Nirva A.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory","Lewis base-complexed magnesium dithiolenes","Chemical Communications","2019","","","","","10.1039/C9CC03427G","","","0.71073","MoKα","","0.0788","0.0519","","","0.1236","0.1372","","","","","","1.048","","","","has coordinates,has disorder","215988","2020-10-21","18:00:00",""
"7123847","17.095","0.0004","16.167","0.0003","10.0791","0.0002","90","","90","","90","","2785.61","0.1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H36 Cl6 Co3 N12 O8 -","- C52 H36 Cl6 Co3 N12 O8 -","- C104 H72 Cl12 Co6 N24 O16 -","2","0.5","","Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric","Mechanosynthesis of Sydnone-containing Coordination Complexes","Chemical Communications","2019","","","","","10.1039/C9CC04673A","","x-ray","0.71073","MoKα","","0.0563","0.0332","","","0.063","0.0689","","","","","","1.033","","","","has coordinates","216986","2020-10-21","18:00:00",""
"7123858","11.1361","0.0005","15.7091","0.0008","9.5057","0.0005","90","","90","","90","","1662.91","0.14","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 2","P 2 2ab","18","","","","- C25 H46 Cl2 Fe Ge2 N4 O3 -","- C25 H46 Cl2 Fe Ge2 N4 O3 -","- C50 H92 Cl4 Fe2 Ge4 N8 O6 -","2","0.5","","Sodreau, Alexandre; Lentz, Nicolas; Frutos, Maria; Ladeira, Sonia; Nayral, Celine; Delpech, Fabien; Madec, David","Symmetric and non-symmetric bis-metallylene iron complexes, precursors of iron germanide nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC05063A","","","0.71073","MoKα","","0.0214","0.0184","","","0.0423","0.0438","","","","","","1.081","","","","has coordinates","217084","2020-10-21","18:00:00",""
"7123918","35.247","0.004","35.747","0.004","17.7344","0.0017","90","","90","","90","","22345","4","200","","200","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C111 H109 K2.5 N15 O80 Re15 Se20 -","- C111 H109 K2.5 N15 O80 Re15 Se20 -","- C444 H436 K10 N60 O320 Re60 Se80 -","4","1","","Ivanov, Anton A.; Falaise, Clément; Landy, David; Haouas, Mohamed; Mironov, Yuri V.; Shestopalov, Michael A.; Cadot, Emmanuel","Tuning the chaotropic effect as an assembly motif through one-electron transfer in rhenium cluster","Chemical Communications","2019","","","","","10.1039/C9CC05136H","","","0.71073","MoKα","","0.1377","0.0819","","","0.1885","0.2308","","","","","","1.034","","","","has coordinates,has disorder","217260","2020-10-21","18:00:00",""
"7123945","17.991","0.0006","18.7343","0.0007","10.2558","0.0004","90","","90","","90","","3456.7","0.2","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H50.5 N6 O11.25 -","- C30 H50.5 N6 O11.25 -","- C120 H202 N24 O45 -","4","1","","Yamaguchi, Akitake; Kaldas, Sherif J.; Appavoo, Solomon D.; Diaz, Diego B.; Yudin, Andrei K.","Conformationally Stable Peptide Macrocycles Assembled Using the Petasis Borono-Mannich Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05934B","","","1.54178","CuKα","","0.0317","0.0314","","","0.0813","0.0816","","","","","","1.06","","","","has coordinates,has disorder","217369","2020-10-21","18:00:00",""
"7124216","12.3574","0.0006","17.1055","0.0008","11.4148","0.0006","90","","90","","90","","2412.9","0.2","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H66 N4 O5 Rh2 -","- C56 H68 N4 O5 Rh2 -","- C112 H136 N8 O10 Rh4 -","2","0.5","","Ito, Jun-ichi; Ishihara, Takahiro; Fukuoka, Takaki; Binti Mat Napi, Siti Rokiah; Kameo, Hajime; Nishiyama, Hisao","Modulation of Coordination Geometry of NCN and NCNC Rh Complexes for Ambidextrous Chiral Catalysts","Chemical Communications","2019","","","","","10.1039/C9CC06520B","","","0.71073","MoKα","","0.0214","0.021","","","0.0549","0.0551","","","","","","1.37","","","","has coordinates","218559","2020-10-21","18:00:00",""
"7124296","14.7391","0.0005","14.7855","0.0005","9.8812","0.0004","90","","90","","90","","2153.36","0.14","273.15","","273.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","1","","Hou, Hongwei; Shao, Chao Zhi; Yu, Cai-Xia; Xie, Qiong; Wu, Qiong; Zhao, Yujie","Porous functionalized MOF self-evolution promoting molecule encapsulation and Hg2+ removal","Chemical Communications","2019","","","","","10.1039/C9CC06849J","","","0.71073","MoKα","","0.0299","0.0273","","","0.0842","0.0867","","","","","","1.074","","","","has coordinates","219226","2020-10-21","18:00:00",""
"7124402","13.8396","0.0014","15.5527","0.0016","5.7751","0.0006","90","","90","","90","","1243.1","0.2","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H26 N4 O4 Zn -","- C28 H26 N4 O4 Zn -","- C56 H52 N8 O8 Zn2 -","2","0.5","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.0281","0.0276","","","0.0826","0.0828","","","","","","1.208","","","","has coordinates","220517","2020-10-21","18:00:00",""
"7126085","21.104","0.008","25.522","0.009","11.123","0.004","90","","90","","90","","5991","4","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C70 H68 B Ho N6 O2 -","- C70 H68 B Ho N6 O2 -","- C280 H272 B4 Ho4 N24 O8 -","4","1","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.034","0.0286","","","0.0597","0.0616","","","","","","1.045","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7127185","19.6562","0.0004","28.6975","0.0005","21.2232","0.0004","90","","90","","90","","11971.7","0.4","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C214 H282 Au10 O22 S2 -","- C214 H282 Au10 O22 S2 -","- C428 H564 Au20 O44 S4 -","2","0.5","","Xu, Man-Man; Jia, Tong-Tong; Li, Bingjie; Ma, Wang; Chen, Xiaoyuan; Zhao, Xueli; Zang, Shuang-Quan","Tuning the properties of atomically precise gold nanoclusters for biolabeling and drug delivery.","Chemical communications (Cambridge, England)","2020","56","62","8766","8769","10.1039/d0cc03498c","","x-ray","0.71073","MoKα","","0.076","0.046","","","0.1064","0.1138","","","","","","1.093","","","","has coordinates","255895","2020-10-21","18:00:00",""
"7127451","15.0698","0.0006","17.9944","0.0004","5.03671","0.00008","90","","90","","90","","1365.81","0.07","298","","298","","","","","","","","","3","P 21 21 2","P 2 2ab","18","GAM-3","","","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","1","0.25","","Komura, Kenichi; Aoki, Hisakazu; Tanaka, Kentaro; Ikeda, Takuji","GAM-3: a zeolite formed from AlPO<sub>4</sub>-5 <i>via</i> multistep structural changes.","Chemical communications (Cambridge, England)","2020","56","94","14901","14904","10.1039/d0cc06086k","powder diffraction","","1.54059","CuKα~1~","","0.00938","","","","","","0.0091","0.01668","2.4079","","","","","","","has coordinates","259364","2020-12-01","01:50:06",""
"7127452","16.7631","0.0002","17.4946","0.0002","4.97975","0.00004","90","","90","","90","","1460.38","0.03","298","","298","","","","","","","","","6","P 21 21 2","P 2 2ab","18","GAM-2","","","- C4 H9 Al3 N O12.75 P3 -","- C4 H9 Al3 N O12.75 P3 -","- C16 H36 Al12 N4 O51 P12 -","4","1","","Komura, Kenichi; Aoki, Hisakazu; Tanaka, Kentaro; Ikeda, Takuji","GAM-3: a zeolite formed from AlPO<sub>4</sub>-5 <i>via</i> multistep structural changes.","Chemical communications (Cambridge, England)","2020","56","94","14901","14904","10.1039/d0cc06086k","powder diffraction","","1.54059","CuKα~1~","","0.03008","","","","","","0.03186","0.04037","1.3512","","","","","","","has coordinates","259364","2020-12-01","01:50:09",""
"7127475","28.4265","0.0007","27.2114","0.0009","10.4341","0.0003","90","","90","","90","","8071","0.4","109","13","109","13","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C88.19 H116.39 La Na3 O13.05 -","- C88.196 H116.392 La Na3 O13.049 -","- C352.784 H465.568 La4 Na12 O52.196 -","4","1","","Deng, Min; Schley, Nathan D.; Ung, Gaël","High circularly polarized luminescence brightness from analogues of Shibasaki's lanthanide complexes.","Chemical communications (Cambridge, England)","2020","56","94","14813","14816","10.1039/d0cc06568d","","x-ray","0.71073","MoKα","","0.0805","0.0633","","","0.1235","0.131","","","","","","1.099","","","","has coordinates,has disorder","259378","2020-12-01","01:59:22",""
"7127658","17.3635","0.0005","15.4653","0.0005","16.2291","0.0006","90","","90","","90","","4358","0.2","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.5 H42 B2 N2 O4 -","- C60.5 H42 B2 N2 O4 -","- C242 H168 B8 N8 O16 -","4","1","","Nakazato, Takumi; Shinokubo, Hiroshi; Miyake, Yoshihiro","Complexation of 2,7-diazapyrene with boron for structural and electronic tuning.","Chemical communications (Cambridge, England)","2021","57","3","327","330","10.1039/d0cc07804b","","","0.71073","MoKα","","0.1026","0.0766","","","0.1712","0.1836","","","","","","1.085","","","","has coordinates,has disorder","261575","2021-02-04","22:49:07",""
"7127685","8.3715","0.0006","33.178","0.003","7.1858","0.0004","90","","90","","90","","1995.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H26 N4 O3 -","- C20 H26 N4 O3 -","- C80 H104 N16 O12 -","4","1","","Gambhir, Diksha; Mondal, Bhaskar; Koner, Rik Rani","Molecular-level insights into the self-assembly driven enantioselective recognition process.","Chemical communications (Cambridge, England)","2021","57","20","2535","2538","10.1039/d0cc06612e","","","1.54184","CuKα","","0.1351","0.1243","","","0.3434","0.3646","","","","","","1.52","","","","has coordinates","263643","2021-04-05","14:01:16",""
"7127846","15.53","0.0004","17.7065","0.0004","16.3216","0.0005","90","","90","","90","","4488.1","0.2","100","0.11","100","0.11","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H76 Al10 F2 O48 -","- C48 H76 Al10 F2 O48 -","- C96 H152 Al20 F4 O96 -","2","0.5","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","","1.54184","CuKα","","0.0462","0.0374","","","0.091","0.097","","","","","","1.043","","","","has coordinates","262482","2021-03-05","01:18:47",""
"7127942","33.763","0.007","25.417","0.005","25.901","0.005","90","","90","","90","","22227","8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C136 H176 N24 O24 Pd4 Si8 -","- C136 H176 N24.091 O24.273 Pd4 Si8 -","- C544 H704 N96.364 O97.092 Pd16 Si32 -","4","1","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.8","synchrotron","","0.1333","0.0732","","","0.1997","0.2309","","","","","","0.846","","","","has coordinates,has disorder","263654","2021-04-05","14:03:58",""
"7128453","17.6445","0.0002","25.2002","0.0003","6.8741","0.0001","90","","90","","90","","3056.53","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H70 N12 O14 Zn3 -","- C60 H70 N12 O14 Zn3 -","- C120 H140 N24 O28 Zn6 -","2","0.5","","Ma, Yu-Juan; Fang, Xiaoyu; Xiao, Guowei; Lu, Bo; Yan, Dongpeng","Triple-mode tunable long-persistent luminescence in a 3D zinc-organic hybrid.","Chemical communications (Cambridge, England)","2021","57","54","6684","6687","10.1039/d1cc02389f","","","1.54178","CuKα","","0.0588","0.0581","","","0.156","0.1568","","","","","","1.039","","","","has coordinates,has disorder","268594","2021-09-06","09:36:28",""
"7128505","11.47","0.0004","23.4314","0.0008","7.3958","0.0003","90","","90","","90","","1987.68","0.13","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H25 N2 O8 P -","- C16 H25 N2 O8 P -","- C64 H100 N8 O32 P4 -","4","1","","Altenhofer, Erich F.; Lawler, Michael J.; Kumar, Pankaj; Joyce, Leo A.; Fowler-Watters, Matthew; Pei, Tao; Li, Zhen","Synthesis of a novel cyclopropyl phosphonate nucleotide as a phosphate mimic.","Chemical communications (Cambridge, England)","2021","57","55","6808","6811","10.1039/d1cc02328d","","","1.54178","CuKα","","0.0632","0.0617","","","0.1638","0.1661","","","","","","1.052","","","","has coordinates,has disorder","268512","2021-09-06","09:03:42",""
"7128548","12.4981","0.0005","17.3226","0.0008","8.4593","0.0004","90","","90","","90","","1831.43","0.14","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C72 H88 N8 O16 S4 -","4","1","","Xiong, Qian; Luo, Qiliang; Zhang, Tinghui; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric multicomponent reactions of isocyanide, isothiocyanate and alkylidene malonates.","Chemical communications (Cambridge, England)","2021","57","59","7288","7291","10.1039/d1cc02939h","","","0.71073","MoKα","","0.0366","0.0308","","","0.0664","0.0678","","","","","","1.066","","","","has coordinates","268585","2021-09-06","09:34:14",""
"7129004","26.094","0.002","6.5624","0.0005","9.4316","0.0007","90","","90","","90","","1615.1","0.2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H13 F6 N5 O -","- C16 H13 F6 N5 O -","- C64 H52 F24 N20 O4 -","4","1","","You, Tingjie; Zeng, Si-Hao; Fan, Jianqiang; Wu, Liangliang; Kang, Fangyuan; Liu, Yungen; Che, Chi-Ming","A soluble iron(II)-phthalocyanine-catalyzed intramolecular C(sp<sup>3</sup>)-H amination with alkyl azides.","Chemical communications (Cambridge, England)","2021","57","82","10711","10714","10.1039/d1cc04573c","","","0.71073","MoKα","","0.0475","0.0436","","","0.109","0.1117","","","","","","1.04","","","","has coordinates,has disorder","270400","2021-11-06","19:00:16",""
"7129986","26.9909","0.0004","6.1009","0.0001","5.1027","0.0001","90","","90","","90","","840.26","0.02","100","2","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 N2 O2 P2 -","- C18 H22 N2 O2 P2 -","- C36 H44 N4 O4 P4 -","2","0.5","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71075","MoKα","","0.0206","0.0203","","","0.0543","0.0545","","","","","","1.142","","","","has coordinates","274579","2022-04-19","21:55:01",""
"7130017","10.3838","0.0003","37.4871","0.001","6.6582","0.0002","90","","90","","90","","2591.76","0.13","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H24 F N3 O4 -","- C30 H24 F N3 O4 -","- C120 H96 F4 N12 O16 -","4","1","","Ke, Chaoqi; Cao, Qiuhui; Luo, Yao; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric amination of azlactones with azobenzenes","Chemical Communications","2022","","","","","10.1039/D2CC01656G","","","1.54178","CuKα","","0.0467","0.0407","","","0.0987","0.1068","","","","","","1.066","","","","has coordinates","274697","2022-04-26","21:53:15",""
"7130040","9.5543","0.0005","30.4522","0.0016","9.4819","0.0004","90","","90","","90","","2758.8","0.2","170","2","170","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H29 N3 O4 S -","- C31 H29 N3 O4 S -","- C124 H116 N12 O16 S4 -","4","1","","Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu","Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides","Chemical Communications","2022","","","","","10.1039/D2CC01625G","","","0.71073","MoKα","","0.0381","0.0335","","","0.0775","0.0802","","","","","","1.069","","","","has coordinates","274853","2022-05-03","21:53:19",""
"7130085","15.8867","0.0007","14.0109","0.0007","14.5536","0.0007","90","","90","","90","","3239.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C70 H98 Sb2 -","- C70 H98 Sb2 -","- C140 H196 Sb4 -","2","0.5","","Gehlhaar, Alexander; Weinert, Hanns Micha; Wölper, Christoph; Semleit, Nina; Haberhauer, Gebhard; Schulz, Stephan","Bisstibane−Distibane conversion via consecutive single-electron oxidation and reduction reaction","Chemical Communications","2022","","","","","10.1039/D2CC01986H","","","0.71073","MoKα","","0.0178","0.0162","","","0.041","0.0422","","","","","","1.087","","","","has coordinates","275377","2022-05-12","22:00:11",""
"7130397","11.7222","0.001","12.5328","0.0011","9.6047","0.0008","90","","90","","90","","1411","0.2","296","2","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H36 Br7 In N4 O2 -","- C12 H36 Br7 In N4 O2 -","- C24 H72 Br14 In2 N8 O4 -","2","0.5","","Li, Dong-Yang; Sun, Yu-Ming; Xu, Zi-Yan; Xiao, Pan-Chao; Song, Jun-Hua; Lei, Xiao-Wu; Chen, Guang; Yue, Cheng-Yang","0D hybrid indium halides with highly efficient intrinsic broadband light emissions","Chemical Communications","2022","","","","","10.1039/D2CC02148J","","","0.71073","MoKα","","0.0361","0.0272","","","0.0525","0.0544","","","","","","0.95","","","","has coordinates","276925","2022-07-25","21:58:51",""
"7130398","12.1","0.016","9.328","0.012","11.533","0.015","90","","90","","90","","1302","3","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H30 Cl7 In N4 O3 -","- C12 H30 Cl7 In N4 O3 -","- C24 H60 Cl14 In2 N8 O6 -","2","0.5","","Li, Dong-Yang; Sun, Yu-Ming; Xu, Zi-Yan; Xiao, Pan-Chao; Song, Jun-Hua; Lei, Xiao-Wu; Chen, Guang; Yue, Cheng-Yang","0D hybrid indium halides with highly efficient intrinsic broadband light emissions","Chemical Communications","2022","","","","","10.1039/D2CC02148J","","","0.71073","MoKα","","0.0435","0.0389","","","0.102","0.1117","","","","","","0.9901","","","","has coordinates","276925","2022-07-25","21:58:52",""
"7130936","12.897","0.003","31.766","0.006","11.213","0.002","90","","90","","90","","4593.8","1.6","80.15","","80.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","SMTP-7, TMS007, BIIB131","(S)-2,5-bis((2R,3S)-2-((E)-4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl)pentanoic acid","","- C51 H68 N2 O10 -","- C51 H68 N2 O10 -","- C204 H272 N8 O40 -","4","1","","Wang, Bo; Lin, Yiqing","Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)","Chemical Communications","2022","","","","","10.1039/D2CC05218K","","electron","0.02501","electron","","0.2661","0.1619","","","0.3786","0.4095","","","","","","0.984","","","","has coordinates,has disorder","278864","2022-10-29","08:09:11",""
"7131072","19.2588","0.0012","21.0194","0.0013","23.1335","0.0014","90","","90","","90","","9364.6","1","170","2","170","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C135 H111 F21 N32 O29 S11 Zn4 -","- C135 H111 F21 N32 O29 S11 Zn4 -","- C270 H222 F42 N64 O58 S22 Zn8 -","2","0.5","","Wei, Jianwei; Zhao, Liang; Zhang, Yu; Zhou, Peng; Liu, Guangzhou; Duan, Chunying","Light-switched selective catalysis with NADH mimic functionalized metal-organic capsules.","Chemical communications (Cambridge, England)","2022","59","1","71","74","10.1039/d2cc04530c","","","0.71073","MoKα","","0.0634","0.0484","","","0.1357","0.1438","","","","","","1.023","","","","has coordinates,has disorder","281316","2023-03-04","17:38:38",""
"7131258","14.2463","0.0008","12.1041","0.0006","13.4211","0.0006","90","","90","","90","","2314.3","0.2","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H20 B2 N12 Yb -","- C18 H20 B2 N12 Yb -","- C72 H80 B8 N48 Yb4 -","4","1","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.1008","0.0494","","","0.0906","0.1069","","","","","","1.045","","","","has coordinates","283101","2023-05-05","00:28:33",""
"7131298","10.1385","0.0002","19.145","0.0005","15.7602","0.0003","90","","90","","90","","3059.08","0.12","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H56 Cu8 N8 S12 -","- C48 H56 Cu8 N8 S12 -","- C96 H112 Cu16 N16 S24 -","2","0.5","","Xu, Yue; Dong, Qing-Guo; Dong, Jian-Peng; Zhang, Huan; Li, Bo; Wang, Rui; Zang, Shuang-Quan","Assembly of copper-clusters into a framework: enhancing the structural stability and photocatalytic HER performance.","Chemical communications (Cambridge, England)","2023","59","21","3067","3070","10.1039/d3cc00275f","","","1.54184","CuKα","","0.0525","0.0449","","","0.1138","0.1189","","","","","","1.051","","","","has coordinates,has disorder","283108","2023-05-05","00:29:42",""
"7131447","13.7964","0.0003","25.093","0.0006","10.7544","0.0003","90","","90","","90","","3723.1","0.16","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H32 N O3 P -","- C41 H32 N O3 P -","- C164 H128 N4 O12 P4 -","4","1","","Huang, Fen; Tao, Ling-Fei; Liu, Jiyong; Qian, Linghui; Liao, Jia-Yu","Diastereo- and enantioselective synthesis of biaryl aldehydes bearing both axial and central chirality.","Chemical communications (Cambridge, England)","2023","59","30","4487","4490","10.1039/d3cc00708a","","","1.54178","CuKα","","0.0364","0.0325","","","0.0854","0.0882","","","","","","1.024","","","","has coordinates","283084","2023-05-05","00:23:31",""
"7131531","22.1102","0.0005","33.7684","0.0008","10.73","0.0003","90","","90","","90","","8011.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H58 Al K N2 Si2 -","- C30 H52 Al K N2 Si2 -","- C240 H416 Al8 K8 N16 Si16 -","8","2","","Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.","An acyclic aluminyl anion.","Chemical communications (Cambridge, England)","2023","59","35","5277","5280","10.1039/d3cc01317k","","x-ray","0.71073","MoKα","","0.0616","0.0578","","","0.1562","0.1595","","","","","","1.073","","","","has coordinates","283115","2023-05-05","00:32:49",""
"7131580","18.0505","0.0004","21.0295","0.0005","9.8168","0.0002","90","","90","","90","","3726.39","0.14","150","","150","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C31.5 H29 B Cl F15 N O2 P -","- C31.5 H29 B Cl F15 N O2 P -","- C126 H116 B4 Cl4 F60 N4 O8 P4 -","4","1","","Hussain, Zahid; Luo, Yong-An; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactivity of frustrated Lewis pairs with BOC protected diazocarboxylates: FLP capture of diazene.","Chemical communications (Cambridge, England)","2023","59","41","6191","6194","10.1039/d3cc01571h","","","1.54178","CuKα","","0.0589","0.0478","","","0.1164","0.1224","","","","","","1.022","","","","has coordinates","284180","2023-06-05","03:38:32",""
"7131681","19.681","0.0007","10.2423","0.0004","10.6706","0.0004","90","","90","","90","","2150.97","0.14","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H38 Cl2 F12 N4 -","- C43 H38 Cl2 F12 N4 -","- C86 H76 Cl4 F24 N8 -","2","0.5","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.0889","0.0732","","","0.1876","0.1993","","","","","","1.056","","","","has coordinates","284868","2023-07-05","09:10:39",""
"7131728","24.248","0.0002","8.90729","0.00007","7.91028","0.00007","90","","90","","90","","1708.49","0.02","200","0.1","200","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H14 Br4 F6 N2 Pb -","- C6 H14 Br4 F6 N2 Pb -","- C24 H56 Br16 F24 N8 Pb4 -","4","1","","Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan","Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites.","Chemical communications (Cambridge, England)","2023","59","52","8111","8114","10.1039/d3cc02098c","","x-ray","1.54184","CuKα","","0.0636","0.0627","","","0.193","0.1944","","","","","","1.123","","","","has coordinates","284839","2023-07-05","08:48:38",""
"7131796","11.3754","0.0003","21.9762","0.0006","11.2116","0.0003","90","","90","","90","","2802.77","0.13","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H31 N3 O5 -","- C30 H31 N3 O5 -","- C120 H124 N12 O20 -","4","1","","Ruan, Peiran; Zhang, Cefei; Wu, Jin; Xiao, Fengnan; Zhang, Yongyan; Tan, Qingfa; Su, Zhishan; Feng, Xiaoming; Liu, Xiaohua","Asymmetric [3+2]-cyclization of α-imino amide surrogates to construct 3,4-diaminopyrrolidine-2,5-diones.","Chemical communications (Cambridge, England)","2023","59","53","8250","8253","10.1039/d3cc01203d","","","1.54178","CuKα","","0.0428","0.0413","","","0.0966","0.0979","","","","","","1.07","","","","has coordinates","284712","2023-06-29","21:55:42",""
"7131956","14.1776","0.0014","8.8685","0.0007","11.4845","0.0012","90","","90","","90","","1444","0.2","149.99","","149.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H F21 O6 S2 -","- C23 H F21 O6 S2 -","- C46 H2 F42 O12 S4 -","2","0.5","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0371","0.0312","","","0.0768","0.082","","","","","","1.045","","","","has coordinates","285406","2023-08-01","21:59:03",""
"7132114","15.0698","0.0006","17.9944","0.0004","5.03671","0.00008","90","","90","","90","","1365.81","0.07","298","","298","","","","","","","","","3","P 21 21 2","P 2 2ab","18","GAM-3","","","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","1","0.25","","Komura, Kenichi; Ikeda, Takuji; imai, edo; oka, kazuma","Two-dimensional microporous GAM-6 formed by the interzeolite conversion of CoAPO-5","Chemical Communications","2023","","","","","10.1039/D3CC02314A","powder diffraction","","1.54059","CuKα~1~","","0.00938","","","","","","0.0091","0.01668","2.4079","","","","","","","has coordinates","286248","2023-09-06","21:56:56",""
"7132159","21.9758","0.0014","23.498","0.0015","14.4237","0.0009","90","","90","","90","","7448.2","0.8","180","","180","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64 H90 N21 O16 P -","- C64 H90 N21 O16 P -","- C256 H360 N84 O64 P4 -","4","1","","Sun, Zhong-Yu; Chen, Si-Qi; Liang, Lin; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","pH-dependent phosphate separation using tripodal hexaurea receptor","Chemical Communications","2023","","","","","10.1039/D3CC04122K","","","0.71073","MoKα","","0.0882","0.061","","","0.1406","0.1539","","","","","","1.072","","","","has coordinates,has disorder","286590","2023-09-28","21:56:10",""
"7132453","17.015","0.0013","17.56","0.002","7.712","0.002","90","","90","","90","","2304.2","0.7","95.15","","95.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C55 H48 Cl2 N6 O2 -","- C55 H48 Cl2 N6 O2 -","- C110 H96 Cl4 N12 O4 -","2","0.5","","Yamanomoto, Ken; Yamamoto, Kota; Yoshida, Satoshi; Sato, Sota; Akiyama, Takahiko","Enantioselective synthesis of 3-(<i>N</i>-indolyl)quinolines containing axial and central chiralities.","Chemical communications (Cambridge, England)","2024","60","5","582","585","10.1039/d3cc05142k","","","0.9","synchrotron","","0.036","0.0347","","","0.0925","0.0936","","","","","","1.067","","","","has coordinates","289341","2024-02-04","11:08:20",""
"7132719","10.5753","0.0013","27.797","0.003","10.3786","0.0013","90","","90","","90","","3050.9","0.6","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C80 H192 N40 P8 U4 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0689","0.0467","","","0.086","0.0958","","","","","","1.015","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132724","10.5761","0.0006","27.7942","0.0016","10.3688","0.0006","90","","90","","90","","3048","0.3","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C80 H192 N40 P8 U4 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0207","0.0185","","","0.0397","0.0406","","","","","","0.895","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132728","10.5757","0.0004","27.8005","0.0013","10.3708","0.0004","90","","90","","90","","3049.1","0.2","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C80 H192 N40 P8 U4 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0324","0.0267","","","0.0503","0.0524","","","","","","0.97","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7150162","12.9893","0.0012","22.218","0.002","5.2165","0.0005","90","","90","","90","","1505.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C11 H22 N6 O4 -","- C11 H20 N6 O4 -","- C44 H80 N24 O16 -","4","1","","Hysell, Michelle; Siegel, Jay S.; Tor, Yitzhak","Synthesis and stability of exocyclic triazine nucleosides.","Organic & biomolecular chemistry","2005","3","16","2946","2952","10.1039/b503757c","","","0.71073","MoKα","","0.0581","0.0526","","","0.1361","0.1396","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150197","15.577","0.004","30.563","0.009","5.46","0.003","90","","90","","90","","2599.4","1.8","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","imine","8(R),13(R),23(S),28(S),38(R),43(R),53(S),58(S)- 7,14,22,29,37,44,52,59,61,62,63,64-dodecaazananocyclo [55.3.1.1^16,20^.1^31,35^.1^46,50^.0^8,13^.0^23,28^.0^38,43^.0^53,58^] -tetrahexaconta- 1(61),2,4,6,14,16(62),17,19,21,29,31(63),32,34,44,46(64),47,49,51,59 -eicosaene","","- C52 H60 N12 -","- C52 H60 N12 -","- C104 H120 N24 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","1.5418","CuKα","","0.1073","0.0655","","","0.1495","0.1754","","","","","","0.903","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150341","7.6474","0.0007","21.062","0.005","3.6345","0.0002","90","","90","","90","","585.41","0.15","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","5-pyrimidylboronic acid hemihydrate","","- C4 H6 B N2 O2.5 -","- C4 H6 B N2 O2.5 -","- C16 H24 B4 N8 O10 -","4","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.038","0.0318","","","0.0797","0.0835","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150385","14.7325","0.0004","15.2366","0.0002","19.0213","0.0003","90","","90","","90","","4269.77","0.15","293","","293.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H82 Cl4 Cu2 N4 O8 -","- C93 H82 Cl4 Cu2 N4 O8 -","- C186 H164 Cl8 Cu4 N8 O16 -","2","0.5","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Synthesis and evaluation of new chiral nonracemic C2-symmetric and unsymmetric 2,2'-bipyridyl ligands.","Organic & biomolecular chemistry","2006","4","5","877","885","10.1039/b513286j","","","1.5418","Copper","","0.0658","0.0532","","0.1033","0.075","0.075","","","","","","0.6013","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150787","31.0338","0.0002","33.4144","0.0002","8.0692","0.0001","90","","90","","90","","8367.57","0.13","160","1","160","1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C52 H90 B22 Br12 N2 P4 Pt2 -","- C52 H90 B22 Br12 N2 P4 Pt2 -","- C208 H360 B88 Br48 N8 P16 Pt8 -","4","1","","Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.","Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons","Organic & Biomolecular Chemistry","2009","7","23","4881","4885","10.1039/b916020e","","","0.71073","MoKα","","0.0794","0.0683","","","0.1763","0.1864","","","","","","1.025","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150814","14.5931","0.0006","21.5413","0.0008","8.0149","0.0003","90","","90","","90","","2519.52","0.17","0","2","0","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H30 N2 O3 S2 -","- C28 H30 N2 O3 S2 -","- C112 H120 N8 O12 S8 -","4","1","","Cheruku, Pradeep; Paptchikhine, Alexander; Ali, Muhammad; Neudörfl, Jörg-M.; Andersson, Pher G.","Development of new thiazole-based iridium catalysts and their applications in the asymmetric hydrogenation of trisubstituted olefins","Organic & Biomolecular Chemistry","2008","6","2","366","373","10.1039/b714744a","","","0.71073","MoKα","","0.0748","0.0465","","","0.0861","0.0939","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150865","14.4683","0.0009","17.0943","0.0011","4.92","0.0002","90","","90","","90","","1216.84","0.12","113","2","108","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H10 B Br O2 -","- C14 H10 B Br O2 -","- C56 H40 B4 Br4 O8 -","4","1","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.0323","0.024","","","0.048","0.049","","","","","","0.955","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7151219","13.4354","0.0004","16.5257","0.0006","9.9835","0.0003","90","","90","","90","","2216.63","0.12","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H29 Br O4 S2 -","- C21 H29 Br O4 S2 -","- C84 H116 Br4 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0601","0.0522","","","0.1395","0.1457","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151254","10.289","0.0001","20.1092","0.0002","7.4282","0.0004","90","","90","","90","","1536.92","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H26 N2 O6 -","- C13 H26 N2 O6 -","- C52 H104 N8 O24 -","4","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0346","0.0324","","","0.0775","0.0792","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151307","11.33","0.01","25.56","0.02","6.243","0.006","90","","90","","90","","1808","3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.098","0.0919","","","0.2344","0.2382","","","","","","1.143","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151375","11.4893","0.0008","20.8542","0.0016","6.4198","0.0004","90","","90","","90","","1538.19","0.19","153","2","153","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H50 N4 -","- C34 H50 N4 -","- C68 H100 N8 -","2","0.5","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0774","0.0417","","","0.0841","0.0926","","","","","","0.834","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151494","12.1915","0.0003","15.2706","0.0006","8.8616","0.0003","90","","90","","90","","1649.78","0.09","180","2","180","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H24 O Si -","- C17 H24 O Si -","- C68 H96 O4 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71069","MoKα","","0.0487","0.0333","","0.1175","0.0763","","","","1.044","1.056","1.056","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151839","27.513","0.003","12.2721","0.0011","12.3143","0.0011","90","","90","","90","","4157.8","0.7","297","2","297","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C156 H108 N24 O12 -","6","1.5","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.1438","0.0844","","","0.2112","0.2554","","","","","","1.125","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151985","28.965","0.014","36.811","0.018","15.395","0.016","90","","90","","90","","16415","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C159 H215 N8 O50.5 Rh4 -","- C158 H170 N8 O50.5 Rh4 -","- C632 H680 N32 O202 Rh16 -","4","1","","Mattiza, Jens T.; Fohrer, Joerg G. G.; Duddeck, Helmut; Gardiner, Michael G.; Ghanem, Ashraf","Optimizing dirhodium(ii) tetrakiscarboxylates as chiral NMR auxiliaries.","Organic & biomolecular chemistry","2011","9","19","6542","6550","10.1039/c1ob05665d","","","0.710673","Synchrotron","","0.0488","0.0418","","","0.1014","0.1054","","","","","","1.079","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7152209","16.4826","0.0006","6.8123","0.0003","9.0139","0.0004","90","","90","","90","","1012.12","0.07","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.039","0.0332","","","0.0847","0.0889","","","","","","1.051","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152758","16.6672","0.0007","33.1447","0.0012","8.1871","0.0003","90","","90","","90","","4522.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H48 Cl2 N2 O16 -","- C43 H48 Cl2 N2 O16 -","- C172 H192 Cl8 N8 O64 -","4","1","","Kleeblatt, Dennis; Siyo, Baraa; Hein, Martin; Iaroshenko, Viktor O.; Iqbal, Jamshed; Villinger, Alexander; Langer, Peter","Synthesis of N,N'-diglycosylated isoindigos.","Organic & biomolecular chemistry","2013","11","6","886","895","10.1039/c2ob25866h","","","0.71073","MoKα","","0.0821","0.0516","","","0.1196","0.1307","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152805","11.306","0.006","31.857","0.016","5.353","0.003","90","","90","","90","","1928","1.8","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 2","P 2 2ab","18","","Boc-gL(b-CH2NO2)-COOEt","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C64 H120 N8 O24 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.1599","0.0931","","","0.232","0.266","","","","","","1.168","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7153296","16.6312","0.0014","8.9394","0.0008","12.6256","0.0011","90","","90","","90","","1877.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","","","- C19 H33 N O5 -","- C19 H33 N O5 -","- C76 H132 N4 O20 -","4","1","","Renzi, Polyssena; Overgaard, Jacob; Bella, Marco","Multicomponent asymmetric reactions mediated by proline lithium salt.","Organic & biomolecular chemistry","2010","8","5","980","983","10.1039/b924158b","","x-ray","0.71073","MoKα","","0.0581","0.0502","","","0.1498","0.1536","","","","","","1.041","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153429","20.6439","0.0007","14.6541","0.0004","8.4379","0.0003","90","","90","","90","","2552.61","0.14","183","2","183","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H36 B K N1.5 O7 -","- C22 H35 B K N1.5 O7 -","- C88 H140 B4 K4 N6 O28 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.1202","0.0569","","","0.0848","0.0961","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153483","34.71","0.007","42.495","0.009","15.363","0.003","90","","90","","90","","22660","8","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Proctolin","Arg-Tyr-Leu-Pro-Thr","","- C31 H42.82 N8 O12 -","- C30.9975 H42.8175 N8 O11.9975 -","- C495.96 H685.08 N128 O191.96 -","16","4","","Howard, Judith A. K.; Yufit, Dmitry S.; Chetina, Olga V.; Teat, Simon J.; Capelli, Silvia C.; Pattison, Philip","Crystal structure of the insect neuropeptide proctolin.","Organic & biomolecular chemistry","2010","8","22","5110","5112","10.1039/c0ob00345j","","","0.6899","synchrotron","","0.1155","0.1072","","","0.2952","0.31","","","","","","1.158","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153617","9.2741","0.001","38.324","0.004","5.081","0.0005","90","","90","","90","","1805.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H16 Br O4 P -","- C19 H16 Br O4 P -","- C76 H64 Br4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.1159","0.0599","","","0.1352","0.1583","","","","","","1.038","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7154091","11.823","0.0015","25.123","0.003","9.6587","0.0013","90","","90","","90","","2868.9","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H34 F N3 Ni O3 -","- C33 H34 F N3 Ni O3 -","- C132 H136 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1033","0.0584","","","0.0728","0.0836","","","","","","0.779","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154184","18.769","0.004","12.495","0.003","13.68","0.003","90","","90","","90","","3208.2","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","anti-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C112 H112 N32 O32 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.089","0.0825","","","0.2014","0.2066","","","","","","1.139","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154323","10.9","0.002","17.232","0.003","8.4931","0.0016","90","","90","","90","","1595.2","0.5","173.15","","173.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0296","0.0288","","","0.0716","0.0722","","","","","","1.089","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154521","15.6931","0.0003","21.8725","0.0004","5.0383","0.0001","90","","90","","90","","1729.38","0.06","133","2","133","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0617","0.0466","","","0.0881","0.0946","","","","","","1.164","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154690","14.2584","0.0005","14.3343","0.0005","11.7845","0.0004","90","","90","","90","","2408.57","0.14","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.046","0.0381","","","0.0976","0.1018","","","","","","1.028","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155062","13.7554","0.0004","18.6455","0.0005","5.3891","0.0001","90","","90","","90","","1382.18","0.06","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","NA","Bicyclic benzimidazole nucleoside","","- C14 H13 Cl N2 O3 -","- C14 H15 Cl N2 O4 -","- C56 H60 Cl4 N8 O16 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0487","0.0388","","","0.1111","0.1328","","","","","","1.08","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155338","32.0131","0.0005","15.5735","0.0002","14.771","0.0004","90","","90","","90","","7364.2","0.2","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C118 H198 N33 O26.4 P3 S5 -","- C118 H198 N33 O26.4 P3 S5 -","- C236 H396 N66 O52.8 P6 S10 -","2","0.5","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.1365","0.1279","","","0.3742","0.3923","","","","","","1.76","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155413","23.5858","0.0012","19.6801","0.0008","15.1629","0.0011","90","","90","","90","","7038.2","0.7","150","2","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-para-Bromobenzoyl hexa-octahydroindole-2-carboxylic acid amide","","- C61 H81 Br N7 O7 -","- C61 H81 Br N7 O7 -","- C244 H324 Br4 N28 O28 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0995","0.0702","","","0.1624","0.186","","","","","","0.986","","","","has coordinates,has disorder","191740","2020-10-21","18:00:00",""
"7155781","13.4035","0.0011","28.882","0.002","5.1236","0.0004","90","","90","","90","","1983.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2014/7","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C88 H88 Cl4 N4 O16 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.04","0.0311","","","0.0752","0.0793","","","","","","0.925","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7156067","29.849","0.0002","7.002","0.0002","7.688","0.0008","90","","90","","90","","1606.81","0.17","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Marek135 (Jian Qiang Huang)","","","- C16 H13 Br F N O4 -","- C16 H13 Br F N O4 -","- C64 H52 Br4 F4 N4 O16 -","4","1","","Huang, Jian Qiang; Nairoukh, Zackaria; Marek, Ilan","Electrophilic fluorination of stereodefined disubstituted silyl ketene hemiaminals en route to tertiary α-fluorinated carbonyl derivatives.","Organic & biomolecular chemistry","2018","16","7","1079","1082","10.1039/c8ob00067k","","","0.71073","MoKα","","0.058","0.0485","","","0.1317","0.1449","","","","","","1.122","","","","has coordinates","230796","2020-10-21","18:00:00",""
"7156208","29.04","0.02","33.47","0.02","10.3","0.01","90","","90","","90","","10011","13","110","2","110","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H133 N19 O19 -","- C78 H129 N19 O19 -","- C312 H516 N76 O76 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","0.92","","","0.1092","0.0968","","","0.2663","0.2748","","","","","","1.635","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156416","20.7367","0.0006","19.2582","0.0005","8.3754","0.0003","90","","90","","90","","3344.73","0.18","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C79 H90 O8 -","- C79 H90 O8 -","- C158 H180 O16 -","2","0.5","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.0545","0.0467","","","0.1216","0.1284","","","","","","1.03","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156648","17.0714","0.0012","27.849","0.002","6.8249","0.0003","90","","90","","90","","3244.7","0.4","100","2","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H35 N10 O6.5 -","- C36 H35 N10 O6.5 -","- C144 H140 N40 O26 -","4","1","","Calatrava-Pérez, Elena; Delente, Jason M.; Shanmugaraju, Sankarasekaran; Hawes, Chris S.; Williams, Clive D.; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Glycosylated naphthalimides and naphthalimide Tröger's bases as fluorescent aggregation probes for Con A.","Organic & biomolecular chemistry","2019","17","8","2116","2125","10.1039/c8ob02980f","","x-ray","1.54178","CuKα","","0.0924","0.0754","","","0.1873","0.2039","","","","","","1.082","","","","has coordinates,has disorder","225091","2020-10-21","18:00:00",""
"7156748","19.3581","0.0002","25.0827","0.0003","6.72","0.0001","90","","90","","90","","3262.92","0.07","118.4","0.8","118.4","0.8","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H29 Br N2 O5 -","- C35 H29 Br N2 O5 -","- C140 H116 Br4 N8 O20 -","4","1","","Wang, Yichen; Chen, Yuzhen; Li, Xiaoping; Mao, Yukang; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Enantioselective synthesis of pyrano[2,3-c]pyrrole via an organocatalytic [4 + 2] cyclization reaction of dioxopyrrolidines and azlactones.","Organic & biomolecular chemistry","2019","17","16","3945","3950","10.1039/c9ob00419j","","x-ray","1.54184","CuKα","","0.0353","0.0304","","","0.0692","0.0758","","","","","","0.871","","","","has coordinates","225163","2020-10-21","18:00:00",""
"7157013","13.351","0.004","25.715","0.007","5.749","0.0017","90","","90","","90","","1973.8","1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H20 Br N O2 -","- C23 H20 Br N O2 -","- C92 H80 Br4 N4 O8 -","4","1","","Mondal, Buddhadeb; Balha, Megha; Pan, Subhas Chandra","Organocatalytic asymmetric spirocyclization reactions of cyclic 2,4-dienones with cyanoketones: synthesis of spiro-dihydropyrano cyclohexanones.","Organic & biomolecular chemistry","2019","17","34","7849","7853","10.1039/c9ob01415b","","","0.71073","MoKα","","0.1851","0.1147","","","0.234","0.2477","","","","","","1.88","","","","has coordinates","225284","2020-10-21","18:00:00",""
"7157419","7.969","0.003","34.663","0.014","5.361","0.002","90","","90","","90","","1480.9","1","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","P21212","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1558","0.0762","","","0.1546","0.1915","","","","","","0.959","","","","has coordinates,has disorder","251730","2020-10-21","18:00:00",""
"7157732","16.8403","0.0003","10.54278","0.00019","7.78736","0.00014","90","","90","","90","","1382.6","0.04","110.2","0.14","110.2","0.14","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0349","0.0337","","","0.0882","0.0895","","","","","","1.031","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7158278","25.3513","0.0005","13.438","0.0007","9.4134","0.0012","90","","90","","90","","3206.9","0.4","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","2","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1163","0.072","","","0.1638","0.2001","","","","","","1.026","","","","has coordinates,has disorder","269773","2021-10-06","16:13:29",""
"7158346","19.2668","0.0006","10.713","0.0004","7.8156","0.0002","90","","90","","90","","1613.18","0.09","295.7","0.4","295.7","0.4","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Jia, Ruo-Ling; Liu, Qing-Ling; Yang, Long-Wei; Deng, Shi; Song, Yang","[6 + 3] Annulations of Morita-Baylis-Hillman carbonates and dicyanoheptafulvene.","Organic & biomolecular chemistry","2021","19","45","9867","9871","10.1039/d1ob00854d","","x-ray","1.54184","CuKα","","0.0607","0.0573","","","0.1416","0.1466","","","","","","1.084","","","","has coordinates","271225","2021-12-07","03:54:28",""
"7158529","20.4236","0.0003","11.2645","0.0002","10.8753","0.0002","90","","90","","90","","2501.99","0.07","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0407","0.0396","","","0.1052","0.1065","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7159056","15.094","0.003","18.129","0.003","14.04","0.002","90","","90","","90","","3841.9","1.1","144.98","","144.98","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C168 H164 N12 O24 -","- C168 H164 N12 O24 -","- C168 H164 N12 O24 -","1","0.25","","Das, Arnab; Ghosh, Atanu; Sinha, Surajit","C5-pyrimidine-functionalized morpholino oligonucleotides exhibit differential binding affinity, target specificity and lipophilicity.","Organic & biomolecular chemistry","2023","21","6","1242","1253","10.1039/d2ob01759h","","","0.71073","MoKα","","0.0805","0.0493","","","0.1117","0.1314","","","","","","1.026","","","","has coordinates","281582","2023-03-04","18:42:17",""
"7159201","11.178","0.007","21.505","0.013","6.138","0.004","90","","90","","90","","1475.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","","- C13 H25 N O3 -","- C13 H25 N O3 -","- C52 H100 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1257","0.0942","","","0.2125","0.2317","","","","","","1.021","","","","has coordinates","283485","2023-05-05","03:26:27",""
"7159622","12.2544","0.0003","24.9923","0.0007","7.2291","0.0002","90","","90","","90","","2214.02","0.1","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H29 F2 N O4 -","- C23 H29 F2 N O4 -","- C92 H116 F8 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.039","0.0373","","","0.0953","0.0967","","","","","","1.028","","","","has coordinates,has disorder","288901","2024-01-06","09:47:42",""
"7200182","23.9993","0.0019","10.2755","0.0008","7.4265","0.0007","90","","90","","90","","1831.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H16 Mn2 N18 O7 -","- C4 H16 Mn2 N18 O7 -","- C16 H64 Mn8 N72 O28 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0218","0.0211","","","0.0601","0.0605","","","","","","1","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200402","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Katagiri, Toshimasa; Takahashi, Satoshi; Tanaka, Yasuhiro; Kawabata, Kouji; Hattori, Yoshiyuki; Kaneko, Katsumi; Uneyama, Kenji","Gas storage in soft 1D nano-tunnels by the induced fit of a serration structure","CrystEngComm","2009","11","2","347","","10.1039/b814508c","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200503","11.016","0.002","25.86","0.005","4.517","0.0009","90","","90","","90","","1286.8","0.4","294","2","113","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","bis(3-pyrazinylcarbonylaminopropyl)amine","","","- C16 H37 N7 O10 -","- C16 H37 N7 O10 -","- C32 H74 N14 O20 -","2","0.5","","Shi, Xue-Fang; Song, Hai-Bin; He, Lei; Zhang, Wen-Qin","Observation of a quasi-one-dimensional water aggregate in a supramolecular organic host","CrystEngComm","2009","11","4","542","","10.1039/b816974h","","","0.71073","MoKα","","0.0602","0.0469","","","0.1105","0.1168","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200512","11.2411","0.0003","16.5043","0.0005","8.4442","0.0003","90","","90","","90","","1566.62","0.08","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Cu N2 O9 -","- C10 H19 Cu N2 O8.5 -","- C40 H76 Cu4 N8 O34 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0549","0.0361","","","0.0968","0.1494","","","","","","1.078","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200731","22.6828","0.001","7.4054","0.0006","10.1719","0.0008","90","","90","","90","","1708.6","0.2","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H42 Cu3 N2 O23 -","- C24 H42 Cu3 N2 O23 -","- C48 H84 Cu6 N4 O46 -","2","0.5","","Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands","CrystEngComm","2009","11","6","1089","","10.1039/b820834d","","","0.71073","MoKα","","0.0339","0.0315","","","0.0763","0.0778","","","","","","1.009","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200762","15.521","0.003","26.412","0.005","6.9655","0.0014","90","","90","","90","","2855.4","1","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H72 Cl4 N8 O8 -","- C40 H72 Cl4 N8 O8 -","- C80 H144 Cl8 N16 O16 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2118","0.1004","","","0.2571","0.316","","","","","","1.024","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7201962","22.113","0.003","6.9149","0.0012","7.7209","0.0014","90","","90","","90","","1180.6","0.3","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 Co N2 O5.5 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.7107","MoKα","","0.0737","0.07","","","0.1689","0.1716","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201963","21.956","0.004","6.8823","0.0014","7.741","0.0015","90","","90","","90","","1169.7","0.4","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H9 Co N2 O4 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.71073","MoKα","","0.1157","0.113","","","0.2504","0.2517","","","","","","1.093","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7202415","30.345","0.002","4.1878","0.0003","16.6946","0.0012","90","","90","","90","","2121.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(pyridine-3,5-COOH) (2-AcNH-pyr)2, (1,4-I2-F4-benzene)2","","- C33 H21 F8 I4 N5 O6 -","- C33 H21 F8 I4 N5 O6 -","- C66 H42 F16 I8 N10 O12 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0845","0.0427","","","0.1067","0.1235","","","","","","1.013","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202427","14.612","0.006","9.577","0.0016","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","1","0.25","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.06","0.0543","","","0.121","0.1228","","","","","","1.22","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202428","9.546","0.0011","14.7549","0.0015","4.5585","0.0007","90","","90","","90","","642.07","0.14","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrPU","1,3-bis(m-bromophenyl) urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.038","0.0362","","","0.0676","0.0686","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202429","9.5777","0.0005","14.3646","0.0007","4.5596","0.0002","90","","90","","90","","627.31","0.05","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","1-(m-chlorophenyl)-3-(m-tolyl) urea","1-(m-chlorophenyl)-3-(m-tolyl) urea","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C28 H26 Cl2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0492","0.041","","","0.0983","0.1026","","","","","","1.118","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202430","9.588","0.0008","14.3214","0.0011","4.5653","0.0004","90","","90","","90","","626.88","0.09","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","mClPU","1,3-bis(m-chlorophenyl)urea","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C26 H20 Cl4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","","0.71073","MoKα","","0.0277","0.0263","","","0.0707","0.0715","","","","","","1.05","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202431","9.6345","0.0011","15.3998","0.0014","4.5673","0.0008","90","","90","","90","","677.65","0.15","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mIPU","1,3-bis(m-iodophenyl) urea","","- C13 H10 I2 N2 O -","- C13 H10 I2 N2 O -","- C26 H20 I4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.021","0.0201","","","0.0413","0.0417","","","","","","1.073","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202432","9.595","0.0016","14.521","0.002","4.5902","0.001","90","","90","","90","","639.5","0.2","110","","110","","","","","","","","","4","P 21 21 2","P 2 2ab","18","mMePU","1,3-bis(tolyl) urea","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C30 H32 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0596","0.058","","","0.1132","0.114","","","","","","1.213","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202433","9.577","0.0016","14.612","0.006","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C28 H26 Br2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0599","0.0543","","","0.1205","0.1222","","","","","","1.217","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202947","13.729","0.0002","17.3654","0.0002","8.5825","0.0004","90","","90","","90","","2046.15","0.1","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42 H32 Ag2 B2 F8 N4 O3 -","- C42 H32 Ag2 B2 F8 N4 O3 -","- C84 H64 Ag4 B4 F16 N8 O6 -","2","0.5","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0331","0.0307","","","0.0773","0.0794","","","","","","1.075","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203113","9.974","0.0018","11.6687","0.0014","9.27","0.0018","90","","90","","90","","1078.9","0.3","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H7.5 Ag Cl N4.5 O4 -","- C6 H7.5 Ag Cl N4.5 O4 -","- C24 H30 Ag4 Cl4 N18 O16 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0259","0.0256","","","0.0524","0.0525","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203129","19.7519","0.0012","5.0738","0.0002","7.8915","0.0005","90","","90","","90","","790.86","0.08","120","1","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-hexamethylene bis(3,3,3-trifluorolactate)","","","- C12 H16 F6 O6 -","- C12 H16 F6 O6 -","- C24 H32 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0353","0.0343","","","0.0923","0.0931","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203131","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203133","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203135","9.9509","0.0002","25.1959","0.0005","9.0316","0.0002","90","","90","","90","","2264.42","0.08","100","0.1","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H36 Cl4 N4 O S2 -","- C52 H36 Cl4 N4 O S2 -","- C104 H72 Cl8 N8 O2 S4 -","2","0.5","","Huang, Ping-Hsin; Shen, Jiun-Yi; Pu, Shin-Chien; Wen, Yuh-Sheng; Lin, Jiann T.; Chou, Pi-Tai; Yeh, Ming-Chang P.","Synthesis and characterization of new fluorescent two-photon absorption chromophores","Journal of Materials Chemistry","2006","16","9","850","","10.1039/b512524c","","","0.71073","MoKα","","0.0551","0.0464","","","0.1286","0.1349","","","","","","1.11","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203171","11.325","0.002","16.241","0.003","9.881","0.002","90","","90","","90","","1817.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H18 N2 O6 Zn -","- C18 H18 N2 O6 Zn -","- C72 H72 N8 O24 Zn4 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0861","0.0375","","","0.0491","0.0556","","","","","","0.809","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203207","16.3461","0.0014","10.1444","0.0006","11.143","0.0011","90","","90","","90","","1847.7","0.3","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H40 N8 O8 Pt S8 -","- C16 H40 N8 O8 Pt S8 -","- C32 H80 N16 O16 Pt2 S16 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.072","0.0538","","","0.1317","0.1429","","","","","","0.931","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203263","18.8223","0.0006","5.1467","0.0001","7.7739","0.0003","90","","90","","90","","753.08","0.04","120","1","120","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hexamethylene-(R,R)-bis(3,3-difluorolactate)","","","- C12 H18 F4 O6 -","- C12 H18 F4 O6 -","- C24 H36 F8 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0554","0.0473","","","0.0969","0.0994","","","","","","1.216","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203265","21.7785","0.0017","5.7582","0.0002","8.4827","0.0007","90","","90","","90","","1063.77","0.13","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(-)-Octamethylene-(S,S)-bis(3,3,3-trichlorolactate)","","","- C14 H20 Cl6 O6 -","- C14 H20 Cl6 O6 -","- C28 H40 Cl12 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0505","0.0424","","","0.0883","0.0908","","","","","","1.176","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203624","16.793","0.009","8.058","0.004","11.766","0.006","90","","90","","90","","1592.2","1.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","(Ag(SS-chxn))BF4\τimes0.33 H2O","","","- C18 H44 Ag3 B3 F12 N6 O -","- C18 H44 Ag3 B3 F12 N6 O -","- C36 H88 Ag6 B6 F24 N12 O2 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0684","0.0516","","","0.1307","0.1409","","","","","","1.033","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203896","10.7545","0.0002","11.0123","0.0002","6.8433","0.0001","90","","90","","90","","810.46","0.02","200","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(34)","","- C18 H28 N2 -","- C18 H28 N2 -","- C36 H56 N4 -","2","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0394","0.0305","","","0.0711","0.0747","","","","","","1.042","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203905","12.177","0.002","9.875","0.002","8.532","0.001","90","","90","","90","","1026","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","1,10-Diazabicyclo[8.8.8]hexacosa-5,14,22-triyne (47)","","- C24 H36 N2 -","- C24 H36 N2 -","- C48 H72 N4 -","2","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0498","0.0348","","","0.0925","0.0993","","","","","","1.025","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203968","11.074","0.003","24.139","0.007","4.876","0.002","90","","90","","90","","1303.4","0.7","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4-bis(5-methyl-4',5'-ethylenedithiotetrathiafulvalenyl) perchlorate","","- C18 H14 Cl O4 S12 -","- C18 H14 Cl O4 S12 -","- C36 H28 Cl2 O8 S24 -","2","0.5","","John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.","New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies","Journal of Materials Chemistry","2000","10","6","1273","","10.1039/b000790k","","","1.54184","CuKα","","0.1737","0.1276","","0.4067","0.3278","","","","1.063","1.098","1.098","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204309","15.0697","0.0008","19.5369","0.001","20.9405","0.0011","90","","90","","90","","6165.2","0.6","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65 H70.5 N6.5 Zn -","- C65.5 H62 N6 Zn -","- C262 H248 N24 Zn4 -","4","1","","Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.","Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","320","","10.1039/b109915a","","","0.6883","synchrotron","","0.0869","0.0741","","","0.2025","0.2115","","","","","","1.054","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204456","23.904","0.009","10.824","0.004","7.954","0.006","90","","90","","90","","2058","1.9","108","2","108","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","5-deoxy-5-C-diiodophenylstannyl-1,2-O-isopropylidene-alpha-D- xylofuranose chloroform solvate","","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C58 H74 Cl6 I8 O16 Sn4 -","4","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0418","0.0395","","","0.0968","0.0977","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204457","24.2808","0.0015","10.8472","0.0007","8.0682","0.0005","90","","90","","90","","2125","0.2","301","2","301","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","5-deoxy-5-C-(diiodophenylstannyl)-1,2-O-isopropylidene-alpha-L- xylofuranose chloroform solvate","","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C14.5 H18.5 Cl1.5 I2 O4 Sn -","- C58 H74 Cl6 I8 O16 Sn4 -","4","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0251","0.0237","","","0.0565","0.057","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204990","25.491","0.002","7.795","0.001","9.982","0.001","90","","90","","90","","1983.4","0.4","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H24 N2 O4 -","- C23 H24 N2 O4 -","- C92 H96 N8 O16 -","4","1","","","4-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","69","","10.1039/b108059h","","","0.71073","MoKα","","0.0574","0.0407","","","0.0898","0.0969","","","","","","1.08","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7205804","16.115","0.003","18.888","0.004","4.9329","0.0012","90","","90","","90","","1501.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H15 N2 O4 P -","- C15 H15 N2 O4 P -","- C60 H60 N8 O16 P4 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0455","0.0356","","","0.0802","0.0854","","","","","","1.037","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7206068","7.304","0.0015","9.1675","0.0018","9.5663","0.0019","90","","90","","90","","640.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Ce H13 N3 O11 P3 -","- Ce H11 N3 O11 P3 -","- Ce2 H22 N6 O22 P6 -","2","0.5","","Yi, Jianglong; Fu, Zhiyong; Liao, Shijun; Song, Desheng; Dai, Jingcao","Nitrogen-containing porous cerium trimetaphosphimate as a new efficient base catalyst","Journal of Materials Chemistry","2011","21","17","6144","","10.1039/c1jm10669d","","","0.71073","MoKα","","0.0194","0.0191","","","0.0471","0.0473","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206240","9.1134","0.0003","11.0264","0.0004","14.6077","0.0006","90","","90","","90","","1467.9","0.09","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H12 I2 N O -","- C13 H12 I2 N O -","- C52 H48 I8 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0145","0.0136","","","","0.0306","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206638","8.521","0.0017","5.2696","0.0011","7.724","0.0015","90","","90","","90","","346.83","0.12","296","2","296","2","360000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.0715","0.0535","","","0.1201","0.1278","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206639","8.4","0.06","5.159","0.005","7.61","0.03","90","","90","","90","","330","3","296","2","296","2","520000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.4255","0.1889","","","0.3133","0.455","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206640","8.345","0.008","5.15","0.007","7.558","0.01","90","","90","","90","","324.8","0.7","296","2","296","2","650000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.1395","0.0939","","","0.1492","0.1724","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206641","8.2","0.013","5.13","0.03","7.4","0.02","90","","90","","90","","311","2","296","2","296","2","1190000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.3808","0.1269","","","0.1922","0.2649","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206642","8.08","0.03","4.914","0.016","7.33","0.02","90","","90","","90","","291","1.6","296","2","296","2","2040000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.2368","0.1732","","","0.2397","0.2645","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206792","22.708","0.005","10.553","0.002","19.758","0.004","90","","90","","90","","4734.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H32 Cu N4 O8 -","- C34 H32 Cu N4 O8 -","- C136 H128 Cu4 N16 O32 -","4","1","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.1426","0.0962","","","0.2501","0.2804","","","","","","0.919","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206952","14.978","0.0005","32.6149","0.0011","6.3668","0.0002","90","","90","","90","","3110.22","0.18","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H26 N6 O7 Zn -","- C34 H26 N6 O7 Zn -","- C136 H104 N24 O28 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.083","0.0336","","","0.0315","0.0343","","","","","","0.748","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206960","7.3655","0.0005","11.7786","0.0009","5.5546","0.0004","90","","90","","90","","481.89","0.06","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C22 H20 N4 -","2","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.0544","0.031","","","0.0667","0.0727","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207417","15.9321","0.0007","17.2033","0.0006","9.9871","0.0004","90","","90","","90","","2737.31","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H26 Cu N4 O7 -","- C27 H26 Cu N4 O7 -","- C108 H104 Cu4 N16 O28 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1115","0.0646","","","0.1321","0.1587","","","","","","1.052","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207940","5.0378","0.0001","5.2691","0.0001","8.8985","0.0002","90","","90","","90","","236.208","0.008","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Mg Mo O6 Te -","- Mg Mo O6 Te -","- Mg2 Mo2 O12 Te2 -","2","0.5","","Zhang, Junjie; Zhang, Zhonghan; Sun, Youxuan; Zhang, Chengqian; Zhang, Shaojun; Liu, Yang; Tao, Xutang","MgTeMoO6: A neutral layered material showing strong second-harmonic generation","Journal of Materials Chemistry","2012","22","19","9921","","10.1039/c2jm30953j","","","0.71073","MoKα","","0.015","0.0149","","","0.0372","0.0373","","","","","","1.043","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208097","29.1775","0.0014","6.2427","0.0003","7.2407","0.0003","90","","90","","90","","1318.87","0.1","115","2","115","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N O3 S -","- C14 H16 N O3 S -","- C56 H64 N4 O12 S4 -","4","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0335","0.0325","","","0.0831","0.0839","","","","","","1.064","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208496","21.739","0.004","23.577","0.005","7.4591","0.0015","90","","90","","90","","3823.1","1.3","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C42 H30 N4 O13 Zn2 -","- C42 H28 N4 O13 Zn2 -","- C168 H112 N16 O52 Zn8 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.0506","0.0423","","","0.0966","0.1019","","","","","","1.017","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208498","30.877","0.006","8.0459","0.0016","9.1577","0.0018","90","","90","","90","","2275.1","0.8","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O5 Zn -","- C27 H18 N2 O5 Zn -","- C108 H72 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1244","0.0635","","","0.1344","0.1767","","","","","","0.845","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208759","19.875","0.004","7.8394","0.0016","8.8456","0.0018","90","","90","","90","","1378.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H12 Ba O12 S2 -","- C6 H12 Ba O12 S2 -","- C24 H48 Ba4 O48 S8 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0318","0.0315","","","0.0745","0.0747","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209019","9.4979","0.0004","16.7194","0.0006","5.6273","0.0002","90","","90","","90","","893.61","0.06","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0426","0.0336","","","0.0879","0.0941","","","","","","1.059","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209147","13","0.006","16.363","0.007","3.7037","0.0016","90","","90","","90","","787.8","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C20 H24 Cd2 Cl4 N12 O10 -","2","0.5","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.032","0.0306","","","0.0727","0.0749","","","","","","1.193","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209357","17.8109","","22.2177","","5.1321","","90","","90","","90","","2030.86","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ag2 Cs (B15 O24)","","- Ag2 B15 Cs O24 -","- Ag2 B15 Cs O24 -","- Ag8 B60 Cs4 O96 -","4","1","","Bluhm, K.; Wiesch, A.","Ag2 Cs (B15 O24): Ein wasserfreies quaternaeres Silber(I)Borat mit einem neuartigen Boratanion mit helixartigem Aufbau","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","157","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210331","16.252","0.003","19.15","0.003","22.751","0.004","90","","90","","90","","7081","2","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H82 N12 O37 Pd6 S10 -","- C30 H60 N12 O37 Pd6 S10 -","- C120 H240 N48 O148 Pd24 S40 -","4","1","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.0914","0.0693","","","0.1759","0.202","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211219","16.724","0.002","23.732","0.003","14.189","0.003","90","","90","","90","","5631.5","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C208 H208 Cd8 N32 O80 -","8","2","","McCormick, Laura J.; Turner, David R.","Inclined 1D→2D polycatenation of chiral chains with large π-surfaces","CrystEngComm","2013","15","41","8234","","10.1039/c3ce41538d","","","0.71073","MoKα","","0.0337","0.0331","","","0.0876","0.0899","","","","","","1.096","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211261","15.3229","0.0009","21.2905","0.0011","8.0381","0.0004","90","","90","","90","","2622.3","0.2","114","2","114","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Ag2 Cl2 N6 O8 -","- C20 H26 Ag2 Cl2 N6 O8 -","- C80 H104 Ag8 Cl8 N24 O32 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0832","0.0478","","","0.108","0.1199","","","","","","0.935","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211470","15.5866","0.0006","32.6596","0.0015","9.4273","0.0004","90","","90","","90","","4799","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H82 I24 N10 Pb7 -","- C36 H82 I24 N10 Pb7 -","- C72 H164 I48 N20 Pb14 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0323","0.0277","","","0.0425","0.0442","","","","","","0.886","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211475","7.6439","0.0015","22.013","0.004","6.1556","0.0012","90","","90","","90","","1035.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0399","0.0382","","","0.0629","0.0638","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211476","7.6486","0.0015","22.019","0.004","6.155","0.0012","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0206","0.0203","","","0.0493","0.0495","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212140","29.4201","0.0001","29.8907","0.0002","30.6856","0.0003","90","","90","","90","","26984.5","0.3","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C208 H403.4 O171.7 -","- C208 H406.6 O171.3 -","- C832 H1626.4 O685.2 -","4","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.113","0.0777","","","0.1654","0.1859","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212380","15.7123","0.0002","17.7118","0.0003","8.1342","0.0005","90","","90","","90","","2263.69","0.15","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29- dimethyl-5,8,20,23-tetraoxa-tricyclo(25.3.1.1(12,16))dotriaconta- 1,3,9,11,16,18,24,26-octaene-31,32-dione chloroform solvate","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29-dimethyl-5,8,20,23- tetraoxa-tricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,26-octaene- 31,32-dione chloroform solvate","","- C24 H23 Cl3 O3 -","- C24 H23 Cl3 O3 -","- C96 H92 Cl12 O12 -","4","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.0688","0.0414","","","0.0757","0.0841","","","","","","1.021","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212459","7.7489","0.0015","28.027","0.006","3.8702","0.0008","90","","90","","90","","840.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(malonic acid).(isonicotinic acid hydrazide)2","(malonic acid).(isonicotinic acid hydrazide)2","","- C15 H18 N6 O6 -","- C15 H18 N6 O6 -","- C30 H36 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0388","0.0342","","","0.0841","0.0854","","","","","","1.052","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212769","17.034","0.003","3.893","0.0006","7.3497","0.0011","90","","90","","90","","487.38","0.14","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C14 H8 O3 -","- C14 H8 O3 -","- C28 H16 O6 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0418","0.0373","","","0.086","0.0877","","","","","","1.007","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212783","14.626","0.003","17.129","0.003","9.684","0.0019","90","","90","","90","","2426.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0555","0.0459","","","0.1117","0.1175","","","","","","0.996","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212784","14.615","0.003","17.148","0.003","9.6756","0.0019","90","","90","","90","","2424.9","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0424","0.0396","","","0.1046","0.1066","","","","","","0.999","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212900","9.9244","0.0012","10.369","0.0015","4.038","0.0006","90","","90","","90","","415.53","0.1","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","L-isoserine","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dobrowolski, Jan Cz; Jamróz, Michał H; Kołos, Robert; Rode, Joanna E.; Cyrański, Michał K; Sadlej, Joanna","IR low-temperature matrix, X-ray and ab initio study on L-isoserine conformations.","Physical chemistry chemical physics : PCCP","2010","12","36","10818","10830","10.1039/c0cp00016g","","","0.71073","MoKα","","0.0235","0.0229","","","0.0622","0.0625","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212955","9.5839","0.0008","4.983","0.003","34.645","0.006","90","","90","","90","","1654.5","1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H16 Ag N2 S8 Se8 -","- C22 H16 Ag N2 S8 Se8 -","- C44 H32 Ag2 N4 S16 Se16 -","2","0.5","","Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc","Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2","Journal of Materials Chemistry","1999","9","2","387","","10.1039/a804995e","","","0.71073","MoKα","","0.2658","0.057","","","0.1158","0.1738","","","","","","0.926","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213172","9.366","0.001","16.003","0.002","7.598","0.001","90","","90","","90","","1138.8","0.2","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-fluoroacetyl-(S)-phenylalanine","","- C11 H12 F N O3 -","- C11 H12 F N O3 -","- C44 H48 F4 N4 O12 -","4","1","","Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles","The preferred conformation of α-fluoroamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2409","","10.1039/a907452j","","","0.71073","MoKα","","0.0335","0.0317","","0.0803","0.0784","","","","1.097","1.099","1.099","","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213195","11.8451","0.0005","27.3815","0.0019","6.0985","0.0008","90","","90","","90","","1978","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H23 F N O2 P -","- C23 H23 F N O2 P -","- C92 H92 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.1102","0.0552","","","0.0949","0.108","","","","","","0.952","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213198","12.2726","0.0002","24.9928","0.0003","6.6447","0.0007","90","","90","","90","","2038.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H23 F N O2 P -","- C23 H23 F N O2 P -","- C92 H92 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0473","0.0354","","","0.0766","0.0796","","","","","","1.052","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213275","19.0851","0.0011","19.4641","0.0011","9.5618","0.0005","90","","90","","90","","3552","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H46 Br Cl3 O3 -","- C34 H45 Br O3 -","- C136 H180 Br4 O12 -","4","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0877","0.0778","","","0.1973","0.2042","","","","","","1.114","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213728","12.0653","0.0005","29.4244","0.0012","7.6893","0.0003","90","","90","","90","","2729.81","0.19","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form H2","","","- C15 H20 N2 O2 -","- C15 H18 N2 O1.9435 -","- C120 H144 N16 O15.548 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.1092","0.0497","","","0.0793","0.0912","","","","","","0.827","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213729","14.7583","0.0014","29.841","0.003","7.5013","0.0008","90","","90","","90","","3303.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form S1","","","- C17.5 H24 N2 O1.5 -","- C17.5 H24 N2 O1.5 -","- C140 H192 N16 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0879","0.0575","","","0.1286","0.143","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213731","12.1","0.002","29.76","0.006","7.7","0.0015","90","","90","","90","","2772.7","0.9","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form s3","","","- C15.25 H18.75 N2.25 O1.5 -","- C15.25 H18.75 N2.25 O1.5 -","- C122 H150 N18 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0821","0.056","","","0.1505","0.1681","","","","","","1.023","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7214399","16.397","0.003","18.642","0.003","7.9656","0.0013","90","","90","","90","","2434.9","0.7","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 N4 O12 Zn2 -","- C35 H36 N4 O12 Zn2 -","- C70 H72 N8 O24 Zn4 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0564","0.0528","","","0.1338","0.1366","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214678","13.7005","0.0014","15.6523","0.0016","9.4417","0.001","90","","90","","90","","2024.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H42 Cd6 O39 -","- C16 H42 Cd6 O39 -","- C32 H84 Cd12 O78 -","2","0.5","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0472","0.0431","","","0.0935","0.095","","","","","","1.054","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214920","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H68 N20 O29 -","- C44 H42 N20 O16 -","- C88 H84 N40 O32 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0496","0.0466","","","0.1282","0.1303","","","","","","1.08","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214922","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H40 N25 O20 -","- C44 H42 N20 O33 -","- C88 H84 N40 O66 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0652","0.0606","","","0.1823","0.1874","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214933","10.999","0.002","16.628","0.003","5.1034","0.001","90","","90","","90","","933.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H10 Br2 Cd N4 S4 -","- C12 H10 Br2 Cd N4 S4 -","- C24 H20 Br4 Cd2 N8 S8 -","2","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0219","0.0197","","","0.0414","0.042","","","","","","1.15","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215223","16.149","0.002","17.459","0.002","8.1259","0.001","90","","90","","90","","2291.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0654","0.0434","","","0.1008","0.1143","","","","","","1.015","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7217202","14.6862","0.0018","15.6249","0.0018","13.2871","0.0016","90","","90","","90","","3049","0.6","185","2","185","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C69 H74 Cl2 Mo2 N2 O8 -","- C69 H74 Cl2 Mo2 N2 O8 -","- C138 H148 Cl4 Mo4 N4 O16 -","2","0.5","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0989","0.0591","","","0.1202","0.1372","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217277","11.3423","0.0003","19.2826","0.0007","9.5549","0.0003","90","","90","","90","","2089.74","0.11","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","catena-poly[diaquabis-μ-{N, N-bis(3-pyridyl)butanediamido}copper (II) perchlorate dihydrate]","","- C32 H44 Cl2 Cu N8 O16 -","- C32 H44 Cl2 Cu N8 O16 -","- C64 H88 Cl4 Cu2 N16 O32 -","2","0.5","","Suman, Kumari; Baig, Fayaz; Kant, Rajani; Gupta, Vivek; Mandal, Sanjay; Sarkar, Madhushree","Is Metal Metathesis a Framework-Templating Strategy to Synthesize Coordination Polymers? Transmetallation Studies involving Flexible ligands","RSC Advances","2014","","","","","10.1039/C4RA04166F","","","0.71073","MoKα","","0.0853","0.0679","","","0.1726","0.1867","","","","","","0.972","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217450","24.1816","0.0006","10.4269","0.0003","11.7456","0.0003","90","","90","","90","","2961.53","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 Cl2 N4 O -","- C35 H36 Cl2 N4 O -","- C140 H144 Cl8 N16 O4 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0553","0.0399","","","0.0911","0.0999","","","","","","0.94","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217676","15.646","0.017","10.703","0.012","10.876","0.012","90","","90","","90","","1821","3","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","crotonlaevin O","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.0576","0.0391","","","0.0839","0.0921","","","","","","1.077","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7218135","12.332","0.0004","9.9903","0.0003","5.80218","0.00016","90","","90","","90","","714.83","0.04","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate perhydrate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0343","0.0308","","","0.0777","0.08","","","","","","1.043","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218734","13.4543","0.001","18.4479","0.0014","16.4994","0.0012","90","","90","","90","","4095.2","0.5","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H54 O22 Sr U2 -","- C24 H54 O22 Sr U2 -","- C96 H216 O88 Sr4 U8 -","4","1","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0773","0.0485","","","0.0912","0.1025","","","","","","1.014","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7219158","21.196","0.011","4.605","0.003","10.551","0.006","90","","90","","90","","1029.9","1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H22 N4 O7 -","- C19 H22 N4 O7 -","- C38 H44 N8 O14 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0553","0.0379","","","0.102","0.1193","","","","","","0.833","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219547","10.8783","0.0003","28.3945","0.0007","9.2141","0.0002","90","","90","","90","","2846.09","0.12","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","none","","","- C14 H13.33333 Ba Li2 N5.33333 O9.33333 -","- C14 H13.3333 Ba Li2 N5.33333 O9.33333 -","- C84 H80 Ba6 Li12 N32 O56 -","6","1.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0398","0.0326","","","0.0585","0.0622","","","","","","1.006","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7220106","12.4915","0.0002","13.3518","0.0002","9.9705","0.0001","90","","90","","90","","1662.92","0.04","106","8","106","8","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H52 N5 O10 P3 -","- C26 H52 N5 O10 P3 -","- C52 H104 N10 O20 P6 -","2","0.5","","Gutowska, Natalia; Seliger, Piotr; Andrijewski, Grzegorz; Siwy, Mariola; Małecka, Magdalena; Kusz, Joachim","Single and double crown macrocyclic derivatives of cyclotriphosphazene as receptors of silver(i) ions","RSC Adv.","2015","5","48","38435","","10.1039/C5RA02469B","","","0.71073","MoKα","","0.0317","0.0273","","","0.0721","0.0758","","","","","","1.112","","","","has coordinates","135722","2020-10-21","18:00:00",""
"7220624","14.2642","0.0017","42.291","0.005","9.6129","0.0011","90","","90","","90","","5799","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C136 H98 N10 O28 Zn5 -","- C136 H98 N10 O28 Zn5 -","- C272 H196 N20 O56 Zn10 -","2","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1478","0.0849","","","0.2249","0.2709","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221618","21.8842","0.0005","28.7235","0.0007","9.4156","0.0002","90","","90","","90","","5918.6","0.2","213","","213","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C117 H148 Cl10 N12 Ti4 -","- C117 H148 Cl10 N12 Ti4 -","- C234 H296 Cl20 N24 Ti8 -","2","0.5","","Nomura, Kotohiro; Patamma, Srisuda; Matsuda, Hideshi; Katao, Shohei; Tsutsumi, Ken; Fukuda, Hiroya","Synthesis of Half-Titanocenes Containing 1,3-Imidazolidin-2-Iminato Ligands of type, Cp*TiCl2[1,3-R2(CH2N)2C=N]: Highly Active Catalyst Precursors in Ethylene (Co)polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA11402K","","","0.71075","MoKα","","","0.0366","","","","0.0971","","","","","","1.047","","","","has coordinates","152462","2020-10-21","18:00:00",""
"7222452","19.7244","0.0001","17.0814","0.0001","9.9554","0.0001","90","","90","","90","","3354.18","0.04","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","InOF-13","InOF-13","","- C22 H19 In N2 O8 -","- C22 H19 In N2 O8 -","- C88 H76 In4 N8 O32 -","4","1","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","1.54184","CuKα","","0.0424","0.0417","","","0.1155","0.1164","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223438","17.382","0.004","10.4516","0.0015","15.97","0.003","90","","90","","90","","2901.3","1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H44 O28 Zn6 -","- C45 H32 O28 Zn6 -","- C90 H64 O56 Zn12 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.1102","0.0575","","","0.1285","0.1517","","","","","","1.073","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223776","25.5782","0.0015","25.6108","0.0015","11.5927","0.0007","90","0.001","90","0.001","90","0.001","7594.1","0.8","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H99 Ag7 N21 O0.5 -","- C56 H98 Ag7 N21 O0.5 -","- C224 H392 Ag28 N84 O2 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0408","0.0394","","","0.0988","0.101","","","","","","1.083","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223872","9.7748","0.001","36.406","0.003","6.5704","0.0006","90","","90","","90","","2338.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H34 O3 S -","- C26 H34 O3 S -","- C104 H136 O12 S4 -","4","1","","Huang, Mingming; Hu, Liangzhen; Shen, Hang; Liu, Qing; Hussain, Muhammad Ijaz; Pan, Jing; Xiong, Yan","Sulfination of alcohols with sodium sulfinates promoted by BF3·OEt2: an unexpected access","Green Chem.","2016","18","7","1874","","10.1039/C5GC02846A","","","0.71073","MoKα","","0.0657","0.0566","","","0.1607","0.1695","","","","","","1.097","","","","has coordinates","181747","2020-10-21","18:00:00",""
"7224179","15.6811","0.0006","7.3656","0.0003","9.4737","0.0004","90","","90","","90","","1094.22","0.08","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H8 I6 N2 O2 Ru -","- C12 H8 I6 N2 O2 Ru -","- C24 H16 I12 N4 O4 Ru2 -","2","0.5","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0208","0.0193","","","0.04","0.0404","","","","","","1.088","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224648","20.164","0.004","16.345","0.005","16.679","0.005","90","","90","","90","","5497","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C87 H72 La2 N2 O40 -","- C87 H72 La2 N2 O40 -","- C174 H144 La4 N4 O80 -","2","0.5","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.1004","0.0685","","","0.1849","0.2095","","","","","","1.037","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224649","20.052","0.007","16.35","0.004","16.623","0.004","90","","90","","90","","5450","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Lu N O20 -","- C44 H36 Lu N O20 -","- C176 H144 Lu4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.078","0.0584","","","0.1549","0.1698","","","","","","1.076","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224650","20.14","0.004","16.625","0.003","16.701","0.003","90","","90","","90","","5592","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Gd N O20 -","- C44 H36 Gd N O20 -","- C176 H144 Gd4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0453","0.0406","","","0.1076","0.1096","","","","","","1.096","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224651","20.285","0.004","16.776","0.003","16.805","0.003","90","","90","","90","","5718.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N O20 Pr -","- C44 H36 N O20 Pr -","- C176 H144 N4 O80 Pr4 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0689","0.0375","","","0.0856","0.0924","","","","","","0.858","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224656","20.195","0.004","16.765","0.003","16.778","0.003","90","","90","","90","","5680.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Ce N O20 -","- C44 H36 Ce N O20 -","- C176 H144 Ce4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.036","0.0342","","","0.0972","0.0985","","","","","","1.05","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224657","20.169","0.004","16.722","0.003","16.759","0.003","90","","90","","90","","5652.2","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N Nd O20 -","- C44 H36 N Nd O20 -","- C176 H144 N4 Nd4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0456","0.04","","","0.1152","0.1181","","","","","","1.058","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7225292","14.955","0.003","32.318","0.007","6.8184","0.0014","90","","90","","90","","3295.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","ciclesonide cyclohexane solvate","","- C35 H50 O7 -","- C35 H50 O7 -","- C140 H200 O28 -","4","1","","Zhou, Li na; Yin, Qiuxiang; Du, Shichao; Hao, Hongxun; Li, Yanfeng; Mingyan, Liu; Hou, Baohong","Crystal structure, thermal crystal form transformation, desolvation process and desolvation kinetics of two novel solvates of ciclesonide","RSC Adv.","2016","","","","","10.1039/C6RA08351J","","","0.71073","MoKα","","0.1226","0.0742","","","0.1484","0.1654","","","","","","1.123","","","","has coordinates","183043","2020-10-21","18:00:00",""
"7225902","11.9242","0.0006","26.5717","0.0013","5.0373","0.0003","90","","90","","90","","1596.05","0.15","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R.","Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones","RSC Adv.","2016","","","","","10.1039/C6RA12428C","","","0.71073","MoKα","","0.0751","0.0581","","","0.1084","0.1138","","","","","","1.104","","","","has coordinates","184388","2020-10-21","18:00:00",""
"7226223","20.3794","0.0007","9.1072","0.0003","9.1422","0.0003","90","","90","","90","","1696.79","0.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.0454","0.0421","","","0.1064","0.1087","","","","","","1.051","","","","has coordinates","185750","2020-10-21","18:00:00",""
"7226516","15.7341","0.0018","19.19","0.002","8.3925","0.001","90","","90","","90","","2534","0.5","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O7 Zn -","- C27 H18 N2 O7 Zn -","- C108 H72 N8 O28 Zn4 -","4","1","","Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu","Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks","Green Chem.","2016","18","20","5418","","10.1039/C6GC01686C","","","0.71073","MoKα","","0.1014","0.0702","","","0.1932","0.2214","","","","","","1.079","","","","has coordinates","188252","2020-10-21","18:00:00",""
"7226540","18.0922","0.0015","28.182","0.002","16.7188","0.0012","90","","90","","90","","8524.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H20 Cu2 N4 -","- C30 H20 Cu2 N4 -","- C360 H240 Cu24 N48 -","12","3","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.2443","0.1496","","","0.2879","0.3181","","","","","","1.426","","","","has coordinates","188095","2020-10-21","18:00:00",""
"7226817","11.2493","0.0011","16.5313","0.0017","8.4611","0.0008","90","","90","","90","","1573.5","0.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H38 Cu2 N4 O17 -","- C20 H38 Cu2 N4 O17 -","- C40 H76 Cu4 N8 O34 -","2","0.5","","Zhang, Zhi-Hui; Yang, Xu-Sheng; Zhang, Qing-Qing; Wang, Liang; He, Ming-Yang; Chen, Qun; huang, Xian-Feng","Structure-Induced Catalysis Enhancement of Cu-Amino Catalysts for Rapidly Selective Oxidation of Sulfides in the Presence of H2O2","RSC Adv.","2016","","","","","10.1039/C6RA22393A","","","0.71073","MoKα","","0.0229","0.0219","","","0.0645","0.0663","","","","","","1.072","","","","has coordinates","187390","2020-10-21","18:00:00",""
"7227178","16.315","0.003","17.05","0.003","5.2386","0.001","90","","90","","90","","1457.2","0.5","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H23 O3.5 -","- C15 H23 O3.5 -","- C60 H92 O14 -","4","1","","Lin, Jie; Wang, Renlei; Xu, Guohua; Ding, Zhengfeng; Zhu, Xueshen; Liu, Xingzhong; Zou, Jian; Chen, Guodong; Li, Li; Liu, Ling","New cadinane sesquiterpenoids from the basidiomycetous fungus Pholiota sp.","RSC Adv.","2016","","","","","10.1039/C6RA22448B","","","0.71073","MoKα","","0.0439","0.043","","","0.1026","0.1031","","","","","","1.112","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7227940","20.5261","0.001","9.0318","0.0005","10.5375","0.0006","90","","90","","90","","1953.52","0.18","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Isoquinoline","4-Carbomethoxy-7-(4-chlorophenylamino)-6-bromo-3-bromoethyl-1-methyl-5,8-dioxo-5,8-dihydroisoquinoline","","- C19 H13 Br2 Cl N2 O4 -","- C19 H13 Br2 Cl N2 O4 -","- C76 H52 Br8 Cl4 N8 O16 -","4","1","","Novais, Juliana S.; Campos, Vinicius R.; Silva, Ana Carolina J. A.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; Keller, Vitor G. L.; Ferreira, Matheus O.; Dias, Flaviana R. F.; Vitorino, Maíra I.; Sathler, Plínio C.; Santana, Marcos V.; Resende, Jackson A. L. C.; Castro, Helena C.; Cunha, Anna C.","Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections","RSC Adv.","2017","7","30","18311","","10.1039/C7RA00825B","","x-ray","0.71073","MoKα","","0.0917","0.052","","","0.1117","0.1267","","","","","","1.005","","","","has coordinates","194557","2020-10-21","18:00:00",""
"7228168","15.1696","0.0016","16.2061","0.0017","5.6087","0.0006","90","","90","","90","","1378.8","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Co(B-Bn)2","","","- C34 H32 Co N2 O2 -","- C34 H32 Co N2 O2 -","- C68 H64 Co2 N4 O4 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.029","0.0263","","","0.0658","0.0671","","","","","","1.054","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228177","15.2491","0.0019","16.231","0.002","5.5977","0.0007","90","","90","","90","","1385.5","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","alpha-Zn(B-Bn)2","","","- C34 H32 N2 O2 Zn -","- C34 H32 N2 O2 Zn -","- C68 H64 N4 O4 Zn2 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0234","0.0226","","","0.0653","0.0656","","","","","","1.115","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228214","18.324","0.004","23.774","0.005","14.04","0.003","90","","90","","90","","6116","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C105 H95 Mn4 N15 O39 -","- C105 H95 Mn4 N15 O39 -","- C210 H190 Mn8 N30 O78 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0653","0.0581","","","0.1671","0.1768","","","","","","1.044","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228216","17.345","0.004","22.362","0.005","13.817","0.003","90","","90","","90","","5359","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.3 H42.3 N8 O17 Zn2 -","- C60.3 H42.3 N8 O17 Zn2 -","- C241.2 H169.2 N32 O68 Zn8 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0656","0.0617","","","0.175","0.1795","","","","","","1.041","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228217","18.674","0.004","23.894","0.005","14.086","0.003","90","","90","","90","","6285","2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H88 Cd4 N14 O38 -","- C102 H88 Cd4 N14 O38 -","- C204 H176 Cd8 N28 O76 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0499","0.0417","","","0.1112","0.1167","","","","","","1.035","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228232","16.4929","0.0016","12.677","0.0011","11.4596","0.001","90","","90","","90","","2396","0.4","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag B Cl2 F4 N2 -","- C27 H18 Ag B Cl2 F4 N2 -","- C108 H72 Ag4 B4 Cl8 F16 N8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0191","0.0183","","","0.05","0.0504","","","","","","1.035","","","","has coordinates,has disorder","196565","2020-10-21","18:00:00",""
"7228234","16.426","0.006","12.656","0.005","11.482","0.004","90","","90","","90","","2387","1.5","93","","93","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag Cl3 N2 O4 -","- C27 H18 Ag Cl3 N2 O4 -","- C108 H72 Ag4 Cl12 N8 O16 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0303","0.0254","","","0.0591","0.0604","","","","","","0.996","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228245","16.979","0.003","24.792","0.005","6.1089","0.0011","90","","90","","90","","2571.5","0.8","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H16 Co N6 O5 -","- C24 H16 Co N6 O5 -","- C96 H64 Co4 N24 O20 -","4","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.1243","0.0716","","","0.2576","0.2685","","","","","","1.03","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228852","8.6256","0.0001","22.3286","0.0003","10.6389","0.0002","90","","90","","90","","2049.03","0.05","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H28 N2 O3 S -","- C21 H28 N2 O3 S -","- C84 H112 N8 O12 S4 -","4","1","","Yang, Shiwei; Bian, Guangling; Chen, Zhongxiang; Xia, Xiaohan; Zhou, Mi; Cui, Caiyan; Song, Ling","Highly efficient synthesis of chiral quaternary 3-aminooxindoles promoted by zinc(ii) chloride via Et2Zn-catalysed addition of Grignard reagents to isaltin-derived N-tert-butanesulfinyl ketimines","RSC Adv.","2017","7","61","38216","","10.1039/C7RA07692D","","","1.54184","CuKα","","0.0238","0.0231","","","0.0619","0.0624","","","","","","1.031","","","","has coordinates","199513","2020-10-21","18:00:00",""
"7229381","29.942","0.0003","12.1964","0.00013","6.85035","0.00008","90","","90","","90","","2501.64","0.05","100","2","100","","","","","","","","Aspergillus versicolor","4","P 21 21 2","P 2 2ab","18","","LZD-14-1-9","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C104 H136 N16 O20 -","4","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D‒F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.0335","0.0327","","","0.0886","0.0895","","","","","","1.043","","","","has coordinates","202267","2020-10-21","18:00:00",""
"7229568","27.8757","0.0008","15.985","0.005","8.737","0.0003","90","0.005","90","0.005","90","0.005","3893.1","1.2","100.01","0.01","100.01","0.01","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H52 N8 O2 Pd -","- C39 H52 N8 O2 Pd -","- C156 H208 N32 O8 Pd4 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0586","0.0558","","","0.1462","0.1527","","","","","","1.044","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229627","14.0179","0.0019","27.727","0.004","14.0053","0.0019","90","","90","","90","","5443.5","1.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H62 Cd4 N6 O22 -","- C62 H62 Cd4 N6 O22 -","- C124 H124 Cd8 N12 O44 -","2","0.5","","Wu, Wei-Ping; Wu, Jian; Liu, Jian-Qiang; Trivedi, Manoj; Kumar, Abhinav","Fabrication of a new metal‒organic framework for sensitive sensing of nitroaromatics and efficient dye adsorption","RSC Advances","2017","7","86","54522","","10.1039/C7RA11221A","","","0.71073","MoKα","","0.1278","0.0786","","","0.1879","0.2157","","","","","","1.074","","","","has coordinates,has disorder","203755","2020-10-21","18:00:00",""
"7229942","17.9674","0.0007","10.3025","0.0004","9.3723","0.0007","90","","90","","90","","1734.9","0.16","100","0.1","100","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Succ","","","- C34 H52 N2 O12 -","- C34 H52 N2 O12 -","- C68 H104 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0519","0.0455","","","0.1131","0.1171","","","","","","1.001","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229944","17.7811","0.0003","10.3174","0.0002","9.49693","0.00015","90","","90","","90","","1742.26","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:L-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C68 H104 N4 O26 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0268","0.0258","","","0.0743","0.0752","","","","","","1.002","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229945","17.5836","0.0007","10.3594","0.0004","9.9524","0.0003","90","","90","","90","","1812.88","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Pim","","","- C37 H58 N2 O12 -","- C37 H58 N2 O12 -","- C74 H116 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0342","0.0312","","","0.0715","0.0729","","","","","","1.027","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7230053","13.4231","0.0004","30.1689","0.0009","14.2158","0.0004","90","","90","","90","","5756.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H64 Cl Cu2 N7 O13 -","- C64 H64 Cl Cu2 N7 O13 -","- C256 H256 Cl4 Cu8 N28 O52 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.0809","0.0642","","","0.1494","0.1589","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230973","17.559","","17.5588","0.0013","8.3081","0.0006","90","","90","","90","","2561.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H28 N4 O5 S -","- C26 H28 N4 O5 S -","- C104 H112 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1454","0.0606","","","0.0965","0.1157","","","","","","0.917","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7231261","10.1119","0.0018","10.5584","0.0019","11.746","0.002","90","","90","","90","","1254.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.108","0.0664","","","0.1352","0.1516","","","","","","1.063","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231262","10.0666","0.0009","10.5869","0.0008","11.7836","0.0008","90","","90","","90","","1255.83","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8.05 H9.44 Li0.67 N0.67 O2.72 -","- C8.06 H9.45333 Li0.666667 N0.666667 O2.72667 -","- C48.36 H56.72 Li4 N4 O16.36 -","6","1.5","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0497","0.0483","","","0.1282","0.1293","","","","","","1.154","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231264","10.0679","0.0005","10.5702","0.0006","11.7537","0.0007","90","","90","","90","","1250.83","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0476","0.045","","","0.1234","0.1268","","","","","","1.114","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231897","12.3071","0.0007","19.3724","0.0009","8.0124","0.0004","90","","90","","90","","1910.3","0.17","170","2","170","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H30 O3 -","- C22 H30 O3 -","- C88 H120 O12 -","4","1","","Anees, M.; Nayak, S.; Afarinkia, K.; Vinader, V.","Control of the stereochemistry of C14 hydroxyl during the total synthesis of withanolide E and physachenolide C","RSC Advances","2018","8","69","39691","","10.1039/C8RA08540D","","","1.54178","CuKα","","0.0387","0.0363","","","0.0897","0.0915","","","","","","1.049","","","","has coordinates","212219","2020-10-21","18:00:00",""
"7231986","15.397","0.009","15.921","0.009","6.253","0.004","90","","90","","90","","1532.8","1.6","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C68 H60 Co2 N8 O16 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0349","0.0317","","","0.0856","0.0956","","","","","","1.133","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7232194","13.0156","0.0006","14.3792","0.0007","12.3581","0.0006","90","","90","","90","","2312.87","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16.62 H18 Cu4 N10.38 -","- C16.62 H18 Cu4 N10.38 -","- C66.48 H72 Cu16 N41.52 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.059","0.0372","","","0.0793","0.0881","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232428","25.636","0.0003","16.5436","0.0002","5.05085","0.00006","90","","90","","90","","2142.12","0.04","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C92 H128 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.04","0.0385","","","0.103","0.1059","","","","","","1.033","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232651","20.0542","0.0004","11.4435","0.0002","12.2782","0.0002","90","","90","","90","","2817.73","0.09","93","","93","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32 H30 N2 O10 -","- C32 H30 N2 O10 -","- C128 H120 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","1.54187","CuKα","","0.1202","0.0891","","","0.2399","0.3018","","","","","","1.197","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232690","14.3139","0.0002","15.9294","0.0002","9.1186","0.0001","90","","90","","90","","2079.15","0.05","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-(triphenylacetyl)-L-proline","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0319","0.0312","","","0.082","0.0831","","","","","","1.061","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232728","17.578","0.011","8.18","0.005","10.632","0.007","90","","90","","90","","1528.8","1.7","296","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13.5 H11 N4 O3 Zn -","- C13.5 H11 N4 O3 Zn -","- C54 H44 N16 O12 Zn4 -","4","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.0641","0.0476","","","0.1216","0.1282","","","","","","1.019","","","","has coordinates,has disorder","215004","2020-10-21","18:00:00",""
"7233239","14.5475","0.0006","28.4089","0.0012","6.1616","0.0003","90","","90","","90","","2546.46","0.19","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0215","0.0204","","","0.0485","0.0491","","","","","","1.094","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233242","14.5483","0.0005","28.4278","0.0012","6.166","0.0002","90","","90","","90","","2550.11","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0309","0.0245","","","0.0559","0.0589","","","","","","0.971","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233826","13.1356","0.0012","10.4952","0.001","10.6469","0.001","90","","90","","90","","1467.8","0.2","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H11 N O3 -","- C20 H11 N O3 -","- C80 H44 N4 O12 -","4","1","","Sunil Kumar; Punita Singh; Ritu Srivastava; Rik Rani Koner; Avijit Pramanik; Jomon Mathew; Sougata Sinha; Madhu Rawat; R. S. Anand; Subrata Ghosh","Engineering fused coumarin dyes: a molecular level understanding of aggregation quenching and tuning electroluminescence via alkyl chain substitution","Journal of Materials Chemistry C","2014","2","","6637","6647","10.1039/C4TC00807C","","","0.71073","MoKα","","0.0773","0.0545","","","0.1357","0.1817","","","","","","1.161","","","","has coordinates","218256","2020-10-21","18:00:00",""
"7234596","20.427","0.018","28.01","0.03","5.26","0.005","90","","90","","90","","3010","5","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","iso-DTID-Hep2","3,5-dioxo-2,6-di(thiophen-2-yl)-3,5-dihydro-s-indacene-1,7-diyl diheptanoate","","- C34 H34 O6 S2 -","- C34 H33 O6 S2 -","- C136 H132 O24 S8 -","4","1","","Xiaoqin Shen; Yonghao Zheng; Fred Wudl","Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives","Journal of Materials Chemistry C","2016","4","","2427","2431","10.1039/C5TC03953C","","","0.71073","MoKα","","0.139","0.0686","","","0.1169","0.1341","","","","","","1.12","","","","has coordinates","219334","2020-10-21","18:00:00",""
"7234648","15.872","0.003","7.3428","0.0012","9.2728","0.0015","90","","90","","90","","1080.7","0.3","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C36 H60 Cl8 N8 O2 -","2","0.5","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0261","0.0257","","","0.0686","0.0688","","","","","","1.093","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234919","13.7107","0.0008","23.0021","0.0014","7.9717","0.0004","90","","90","","90","","2514.1","0.2","150","2","149.65","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Cl6 Cu N4 -","- C18 H28 Cl6 Cu N4 -","- C72 H112 Cl24 Cu4 N16 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0864","0.0646","","","0.1546","0.1669","","","","","","1.036","","","","has coordinates,has disorder","223240","2020-10-21","18:00:00",""
"7235915","15.2948","0.0007","18.2388","0.0013","9.5627","0.0006","90","","90","","90","","2667.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H62 N2 O9 S2 -","- C56 H62 N2 O9 S2 -","- C112 H124 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0712","0.0644","","","0.0884","0.1012","","","","","","1.012","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235916","18.878","0.003","15.3625","0.0017","9.4488","0.001","90","","90","","90","","2740.3","0.6","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H66 N2 O9 S2 -","- C58 H66 N2 O9 S2 -","- C116 H132 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1137","0.0686","","","0.1349","0.1562","","","","","","1.064","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235917","19.8998","0.0009","15.4214","0.0006","9.2206","0.0003","90","","90","","90","","2829.64","0.19","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H70 N2 O9 S2 -","- C60 H70 N2 O9 S2 -","- C120 H140 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1005","0.0651","","","0.121","0.1395","","","","","","1.046","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7237244","14.1081","0.0004","21.3826","0.0006","8.9782","0.0003","90","","90","","90","","2708.43","0.14","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H64 Al2 Mg O11 -","- C60 H64 Al2 Mg O11 -","- C120 H128 Al4 Mg2 O22 -","2","0.5","","Keyzer, Evan N.; Lee, Jeongjae; Liu, Zigeng; Bond, Andrew D.; Wright, Dominic S.; Grey, Clare P.","A general synthetic methodology to access magnesium aluminate electrolyte systems for Mg batteries","Journal of Materials Chemistry A","2019","7","6","2677","","10.1039/C8TA10295C","","","1.54178","CuKα","","0.0711","0.0487","","","0.0987","0.1093","","","","","","1.045","","","","has coordinates,has disorder","237517","2020-10-21","18:00:00",""
"7238341","5.0497","0.0003","28.8108","0.0015","6.3242","0.0004","90","","90","","90","","920.08","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","di-2-(pyridyl)methyl 1,8-naphthyridine-2,7-dicarboxylate","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C44 H32 N8 O8 -","2","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.1268","0.0854","","","0.1211","0.1296","","","","","","1.831","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238553","12.2118","0.0001","25.3633","0.0002","5.6918","0.0001","90","","90","","90","","1762.93","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H16 I3 N4 S2 -","- C8 H16 I3 N4 S2 -","- C32 H64 I12 N16 S8 -","4","1","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.71073","MoKα","","0.0636","0.0624","","","0.1751","0.1764","","","","","","1.073","","","","has coordinates","244228","2020-10-21","18:00:00",""
"7238827","24.1322","0.0007","8.2047","0.0003","15.471","0.0005","90","","90","","90","","3063.22","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C61 H63 F6 N12 Ni2 O12.5 -","- C61 H63 F6 N12 Ni2 O12.5 -","- C122 H126 F12 N24 Ni4 O25 -","2","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.122","0.0613","","","0.123","0.1637","","","","","","1.018","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238907","15.5601","0.0006","28.2409","0.001","8.9927","0.0003","90","","90","","90","","3951.7","0.2","298","2","298","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C20 H33 Br8 Cl2 Co2 N8 O12.5 -","- C20 H33 Br8 Cl2 Co2 N8 O12.5 -","- C80 H132 Br32 Cl8 Co8 N32 O50 -","4","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0795","0.0652","","","0.1518","0.1585","","","","","","1.093","","","","has coordinates,has disorder","244460","2020-10-21","18:00:00",""
"7238955","5.0442","0.001","5.2642","0.0011","8.9187","0.0018","90","","90","","90","","236.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Mo O6 Te Zn -","- Mo O6 Te Zn -","- Mo2 O12 Te2 Zn2 -","2","0.5","","Zhao, Sangen; Luo, Junhua; Zhou, Pan; Zhang, Shu-Quan; Sun, Zhihua; Hong, Maochun","ZnTeMoO6: a strong second-harmonic generation material originating from three types of asymmetric building units","RSC Advances","2013","3","33","14000","","10.1039/c3ra40247a","","","0.71073","MoKα","","0.0407","0.0336","","","0.0856","0.1368","","","","","","0.942","","","","has coordinates","244476","2020-10-21","18:00:00",""
"7238984","25.049","0.002","8.4762","0.0007","8.8991","0.0008","90","","90","","90","","1889.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H24 F3 N O6 S -","- C14 H24 F3 N O6 S -","- C56 H96 F12 N4 O24 S4 -","4","1","","Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.","New asymmetric approach to β-trifluoromethyl isoserines","RSC Advances","2013","3","18","6479","","10.1039/c3ra40687c","","","0.71073","MoKα","","0.0477","0.0455","","","0.1237","0.1251","","","","","","1.017","","","","has coordinates","244494","2020-10-21","18:00:00",""
"7239006","19.5407","0.0009","8.005","0.0004","6.7851","0.0003","90","","90","","90","","1061.35","0.09","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","S-3-benzyl-4-methyl-1,3-oxazolidine-2-thione, compound 11","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0334","0.0282","","","0.067","0.0692","","","","","","1.081","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239194","10.9674","0.0007","18.1011","0.0009","4.9514","0.0002","90","","90","","90","","982.96","0.09","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H15 Br2 Cd N4 S2 -","- C15 H16 Br2 Cd N4 S2 -","- C30 H32 Br4 Cd2 N8 S4 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0201","0.018","","","0.0431","0.0436","","","","","","1.049","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239704","30.706","0.002","9.6913","0.0007","11.0426","0.0009","90","","90","","90","","3286.1","0.4","296.4","0.8","296.4","0.8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.1443","0.0687","","","0.168","0.2141","","","","","","0.961","","","","has coordinates,has disorder","257489","2020-10-21","18:00:00",""
"7239707","9.5719","0.0007","30.798","0.002","10.9331","0.0009","90","","90","","90","","3223","0.4","153","0.7","153","0.7","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0883","0.0638","","","0.1403","0.1609","","","","","","1.094","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239783","18.3123","0.0007","18.3932","0.0006","5.8857","0.0003","90","","90","","90","","1982.43","0.14","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0846","0.0614","","","0.1397","0.1454","","","","","","1.22","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7240057","25.731","0.005","8.2594","0.0017","12.118","0.002","90","","90","","90","","2575.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H31 N3 O4 -","- C28 H31 N3 O4 -","- C112 H124 N12 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0473","0.0415","","","0.0996","0.1028","","","","","","1.068","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240247","9.461","0.0006","26.3464","0.0013","11.1125","0.0008","90","","90","","90","","2769.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0441","0.036","","","0.0873","0.09","","","","","","1.039","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240248","9.4529","0.0006","26.3871","0.001","11.1375","0.0006","90","","90","","90","","2778.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0419","0.0343","","","0.0804","0.0825","","","","","","1.031","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240701","12.0576","0.0002","11.3774","0.0002","11.1889","0.0002","90","","90","","90","","1534.94","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H42 N8 O3 -","- C30 H42 N8 O3 -","- C60 H84 N16 O6 -","2","0.5","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0433","0.0386","","","0.0971","0.0998","","","","","","1.066","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7241001","14.147","0.0005","16.6061","0.0004","18.9558","0.0005","90","","90","","90","","4453.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C200 H112 F32 I16 N8 O8 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0504","0.0378","","","0.0599","0.0655","","","","","","1.0358","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241732","25.565","0.003","31.743","0.003","10.3985","0.0011","90","","90","","90","","8438.5","1.6","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H47 Ca2 N24 O34 S4 -","- C56 H47 Ca2 N24 O34 S4 -","- C224 H188 Ca8 N96 O136 S16 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0639","0.06","","","0.1598","0.1629","","","","","","1.034","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7242170","12.6723","0.0006","19.8452","0.0009","7.445","0.0004","90","","90","","90","","1872.3","0.16","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C60 H88 Co2 N12 O8 P4 S8 -","2","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0227","0.0221","","","0.0587","0.0591","","","","","","1.074","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242802","13.9445","0.0012","19.9094","0.0016","10.1085","0.0009","90","","90","","90","","2806.4","0.4","298","2","298.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H66 Mn N14 O22 P2 -","- C44 H50 Mn N14 O22 P2 -","- C88 H100 Mn2 N28 O44 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","","0.71073","MoKα","","0.0968","0.0593","","","0.1472","0.1737","","","","","","1.025","","","","has coordinates,has disorder","267133","2021-07-05","17:13:43",""
"7242804","13.9986","0.0005","19.9756","0.0007","10.1006","0.0004","90","","90","","90","","2824.44","0.18","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","damp-cd-bpe-MI-343","","- C45 H62 Cd N14 O19 P2 -","- C45 H50 Cd N14 O19 P2 -","- C90 H100 Cd2 N28 O38 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0626","0.0459","","","0.1151","0.1241","","","","","","1.027","","","","has coordinates,has disorder","267133","2021-07-05","17:13:45",""
"7242951","13.0155","0.0007","13.2744","0.0007","4.9013","0.0002","90","","90","","90","","846.81","0.07","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H16 Cl2 N2 O8 -","- C13 H16 Cl2 N2 O8 -","- C26 H32 Cl4 N4 O16 -","2","0.5","","Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao","Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal","CrystEngComm","2021","23","31","5306","5313","10.1039/D1CE00680K","","","0.71073","MoKα","","0.0766","0.0657","","","0.197","0.212","","","","","","1.182","","","","has coordinates","268672","2021-09-06","10:29:18",""
"7244114","10.5089","0.0004","24.083","0.0011","6.4952","0.0003","90","","90","","90","","1643.84","0.12","150","2","149.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","artesiminin hemikis(acetylenedicarboxylic acid)","Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one hemikis(but-2-ynedioic acid)","","- C17 H23 O7 -","- C17 H23 O7 -","- C68 H92 O28 -","4","1","","Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong","Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation","CrystEngComm","2022","24","5","1056","1067","10.1039/D1CE01400E","","","0.71073","MoKα","","0.0416","0.0353","","","0.0884","0.0922","","","","","","1.039","","","","has coordinates","272607","2022-02-04","19:19:04",""
"7244507","16.9823","0.0003","19.7469","0.0004","7.0709","0.0001","90","","90","","90","","2371.21","0.07","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Br O2.5 -","- C28.0006 H32.0005 Br1.0001 O2.5 -","- C112.002 H128.002 Br4.0004 O10 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0631","0.0437","","","0.1099","0.121","","","","","","1.031","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244690","16.568","0.01","37.54","0.02","7.364","0.005","90","","90","","90","","4580","5","294","2","294","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Apalutamide-Ethanol-2:1","","","- C44 H36 F8 N10 O5 S2 -","- C44 H36 F8 N10 O5 S2 -","- C176 H144 F32 N40 O20 S8 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1207","0.0704","","","0.1782","0.2143","","","","","","1.034","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244803","39.275","0.009","12.1367","0.0013","7.323","0.0009","90","","90","","90","","3490.6","1","99.97","0.14","99.97","0.14","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H39 N6 O7 S2 -","- C24 H38 N6 O7 S2 -","- C96 H152 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1755","0.1514","","","0.381","0.4012","","","","","","1.065","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244987","12.377","0.003","9.4953","0.0013","10.2036","0.0015","90","","90","","90","","1199.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22.5 H22.5 Fe N7.5 O3.5 -","- C22.5 H22.5 Fe N7.5 O3.5 -","- C45 H45 Fe2 N15 O7 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.1393","0.0775","","","0.1142","0.1381","","","","","","1","","","","has coordinates,has disorder","275659","2022-05-26","22:30:49",""
"7244988","12.2124","0.0005","9.47","0.0004","10.267","0.0006","90","","90","","90","","1187.39","0.1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H24 Co N8 O3 -","- C24 H24 Co N8 O3 -","- C48 H48 Co2 N16 O6 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.0537","0.0421","","","0.077","0.0828","","","","","","1.003","","","","has coordinates,has disorder","275659","2022-05-26","22:30:50",""
"7245645","26.6114","0.0005","15.8766","0.0003","5.4278","0.0001","90","","90","","90","","2293.24","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 F N3 O5 -","- C25 H28 F N3 O5 -","- C100 H112 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0488","0.0472","","","0.1267","0.1293","","","","","","1.075","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245646","27.4657","0.0003","15.6448","0.0002","5.5604","0.0001","90","","90","","90","","2389.28","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 F N3 O5 -","- C26 H30 F N3 O5 -","- C104 H120 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0474","0.0452","","","0.1242","0.1255","","","","","","1.129","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7246831","22.70389","0.00013","13.29859","0.00007","5.82409","0.00003","90","","90","","90","","1758.47","0.016","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H16 Br N S -","- C22 H16 Br N S -","- C88 H64 Br4 N4 S4 -","4","1","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0168","0.0167","","","0.043","0.043","","","","","","1.068","","","","has coordinates","286146","2023-09-05","19:58:00",""
"7246942","33.5555","0.0004","30.4959","0.0004","9.33799","0.00009","90","","90","","90","","9555.61","0.19","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","L-Pro-Mn-Anderson","","- C46 H106 Mn Mo7.5 N4 O44 S14 -","- C40 H98 Mn Mo7.5 N4 O41 S11 -","- C160 H392 Mn4 Mo30 N16 O164 S44 -","4","1","","Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge","A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles","Green Chemistry","2023","25","16","6263","6269","10.1039/D3GC00951C","","x-ray","1.54184","CuKα","","0.0533","0.0482","","","0.1165","0.1195","","","","","","1.043","","","","has coordinates,has disorder","286140","2023-09-05","19:57:05",""
"7247123","26.352","0.006","10.99","0.003","6.7232","0.0011","90","","90","","90","","1947.1","0.8","300","2","300","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H28 K N10 O26.25 P4 -","- C40 H56 K2 N20 O52.5 P8 -","2","0.5","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0834","0.0681","","","0.1868","0.2024","","","","","","1.052","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247126","28.31","0.005","10.412","0.002","6.2855","0.001","90","","90","","90","","1852.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H18 K N5 O12 P2 -","- C10 H18 K N5 O12 P2 -","- C40 H72 K4 N20 O48 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.54184","CuKα","","0.0392","0.0381","","","0.1006","0.1011","","","","","","1.062","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247362","9.5668","0.0003","23.3692","0.0006","17.0992","0.0003","90","","90","","90","","3822.84","0.17","150.01","0.1","150.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H39 Cd3 N3 O15 -","- C39 H39 Cd3 N3 O15 -","- C156 H156 Cd12 N12 O60 -","4","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1182","0.1266","","","","","","0.961","","","","has coordinates","286747","2023-10-06","00:08:25",""
"7247573","13.3936","0.0003","27.474","0.0006","9.584","0.0002","90","","90","","90","","3526.68","0.13","170","","170","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H81 I N4 O10 Si2 -","- C76 H81 I N4 O10 Si2 -","- C152 H162 I2 N8 O20 Si4 -","2","0.5","","Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er","New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations","Green Chemistry","2023","25","24","10447","10457","10.1039/D3GC02429F","","","0.71073","MoKα","","0.0285","0.0245","","","0.056","0.0584","","","","","","1.046","","","","has coordinates,has disorder","288816","2024-01-06","08:21:41",""
"7247574","28.216","0.009","13.252","0.002","14.528","0.003","90","","90","","90","","5432","2","170","","170","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H61 I N4 O8 Si2 -","- C56 H60 I N4 O8 Si2 -","- C224 H240 I4 N16 O32 Si8 -","4","1","","Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er","New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations","Green Chemistry","2023","25","24","10447","10457","10.1039/D3GC02429F","","","0.71073","MoKα","","0.0724","0.0439","","","0.1027","0.1185","","","","","","1.035","","","","has coordinates,has disorder","288816","2024-01-06","08:21:49",""
"7248075","23.3097","0.0006","13.3655","0.0003","13.5379","0.0003","90","","90","","90","","4217.68","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H76 O16 P2 U2 -","- C102 H76 O16 P2 U2 -","- C204 H152 O32 P4 U4 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0204","0.019","","","0.04","0.0408","","","","","","1.038","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248076","17.5195","0.0006","26.5815","0.0007","8.8808","0.0003","90","","90","","90","","4135.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H80 N4 O26 U4 -","- C80 H80 N4 O26 U4 -","- C160 H160 N8 O52 U8 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0605","0.0472","","","0.0992","0.1058","","","","","","1.035","","","","has coordinates,has disorder","290155","2024-03-04","20:10:09",""
"7248332","14.6984","0.0008","17.427","0.0008","19.6342","0.001","90","","90","","90","","5029.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H28 Cl N3 O6 S -","- C24 H28 Cl N3 O6 S -","- C192 H224 Cl8 N24 O48 S8 -","8","2","","Parmar, Mehul P.; Vala, Disha P.; Bhalodiya, Savan S.; Upadhyay, Dipti B.; Patel, Chirag D.; Patel, Subham G.; Gandholi, Srinivasa R.; Shaik, Althaf H.; Miller, Amy Dunne; Nogales, Joaquina; Banerjee, Sourav; Padrón, José M; Amri, Nasser; Kandukuri, Nagesh Kumar; Patel, Hitendra M.","A green bio-organic catalyst (taurine) promoted one-pot synthesis of (<i>R</i>/<i>S</i>)-2-thioxo-3,4-dihydropyrimidine(TDHPM)-5-carboxanilides: chiral investigations using circular dichroism and validation by computational approaches.","RSC advances","2024","14","13","9300","9313","10.1039/d4ra01391c","","","0.71073","MoKα","","0.1428","0.0619","","","0.1158","0.1453","","","","","","1.078","","","","has coordinates","290573","2024-03-21","02:14:56",""
"7248532","18.4944","0.0008","23.2557","0.0011","5.4935","0.0002","90","","90","","90","","2362.76","0.17","170","","170","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.0909","0.0516","","","0.1026","0.1215","","","","","","1.081","","","","has coordinates","291353","2024-04-25","22:29:47",""
"7248534","18.37","0.004","23.19","0.008","5.466","0.0016","90","","90","","90","","2328.5","1.2","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1097","0.0657","","","0.1361","0.1592","","","","","","1.06","","","","has coordinates","291353","2024-04-25","22:29:49",""
"7700301","35.8917","0.0007","38.9207","0.001","13.6252","0.0003","90","","90","","90","","19033.5","0.7","294","","294","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H4 Au Cl2 F3 N2 -","- C12 H4 Au Cl2 F3 N2 -","- C576 H192 Au48 Cl96 F144 N96 -","48","12","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo","4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10412","10416","10.1039/c9dt01618j","","","0.71073","MoKα","","0.183","0.0637","","","0.1415","0.1918","","","","","","0.91","","","","has coordinates","223776","2020-10-21","18:00:00",""
"7700375","8.2096","0.0007","12.2884","0.0013","6.2601","0.0006","90","","90","","90","","631.54","0.11","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H15 Ge Mn N3 S4 -","- C4 H15 Ge Mn N3 S4 -","- C8 H30 Ge2 Mn2 N6 S8 -","2","0.5","","Luo, Hai-Ying; Zhou, Jian; Cao, Shumei","A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10907","10914","10.1039/c9dt02077b","","","0.71073","MoKα","","0.0467","0.0284","","","0.0513","0.0559","","","","","","1.018","","","","has coordinates","223757","2020-10-21","18:00:00",""
"7700585","7.49091","0.00006","12.7773","0.0001","14.7289","0.0001","90","","90","","90","","1409.76","0.018","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.","Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15560","15566","10.1039/c9dt02476j","","","1.54184","CuKα","","0.0242","0.023","","","0.06","0.061","","","","","","1.075","","","","has coordinates","223894","2020-10-21","18:00:00",""
"7701208","11.0457","0.0003","34.23","0.0013","10.687","0.0003","90","","90","","90","","4040.7","0.2","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H41 Fe N3 Si4 -","- C17 H41 Fe N3 Si4 -","- C102 H246 Fe6 N18 Si24 -","6","1.5","","Bodenstein, Tilmann; Eichhöfer, Andreas","Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15699","15712","10.1039/c9dt01702j","","","0.71073","MoKα","","0.0515","0.0438","","","0.1079","0.1143","","","","","","1.01","","","","has coordinates","223884","2020-10-21","18:00:00",""
"7701513","11.9664","0.001","13.8139","0.0011","14.2301","0.0012","90","","90","","90","","2352.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C77 H109 N8 Ni8 O30 -","- C77 H103 N8 Ni8 O30 -","- C77 H103 N8 Ni8 O30 -","1","0.25","","Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert","{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10427","10434","10.1039/c9dt01026b","","","0.71073","MoKα","","0.0456","0.0442","","","0.1069","0.1076","","","","","","1.21","","","","has coordinates,has disorder","223293","2020-10-21","18:00:00",""
"7702076","10.7216","0.0009","11.2891","0.001","9.4711","0.0009","90","","90","","90","","1146.36","0.18","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[NbCl4(DMPE)2]","","","- C12 H32 Cl4 Nb P4 -","- C12 H32 Cl4 Nb P4 -","- C24 H64 Cl8 Nb2 P8 -","2","0.5","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71075","MoKα","","0.0223","0.0209","","","0.0453","0.0457","","","","","","1.045","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702181","14.7987","0.0008","16.8841","0.0009","8.5878","0.0006","90","","90","","90","","2145.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H52 Mn2 N4 O -","- C48 H52 Mn2 N4 O -","- C96 H104 Mn4 N8 O2 -","2","0.5","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0429","0.0349","","","0.0894","0.0935","","","","","","1.112","","","","has coordinates,has disorder","236827","2020-10-21","18:00:00",""
"7702194","29.6876","0.0005","33.7481","0.0005","9.4487","0.0001","90","","90","","90","","9466.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C70 H40 Cl2 In3 O20 -","- C70 H40 Cl2 In3 O20 -","- C280 H160 Cl8 In12 O80 -","4","1","","Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her","Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9474","9481","10.1039/c8dt01405a","","","1.54178","CuKα","","0.0737","0.0656","","","0.2044","0.2162","","","","","","1.06","","","","has coordinates","236841","2020-10-21","18:00:00",""
"7702984","18.173","0.0002","14.6537","0.0005","9.8443","0.0006","90","","90","","90","","2621.55","0.19","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H57 Al N4 P2 -","- C56 H57 Al N4 P2 -","- C112 H114 Al2 N8 P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0554","0.0384","","","0.0819","0.0862","","","","","","0.947","","","","has coordinates","247737","2020-10-21","18:00:00",""
"7702985","18.4844","0.0004","14.5247","0.0008","10.2958","0.0008","90","","90","","90","","2764.2","0.3","240","","240","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H61 Cl Ga N4 O0.5 P2 -","- C58 H61 Cl Ga N4 O0.5 P2 -","- C116 H122 Cl2 Ga2 N8 O P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.1388","0.0635","","","0.159","0.1979","","","","","","0.983","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702986","18.3994","0.0004","14.4577","0.0005","10.2758","0.0007","90","","90","","90","","2733.5","0.2","150","","150","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H61 Al Cl N4 O P2 -","- C58 H61 Al Cl N4 O P2 -","- C116 H122 Al2 Cl2 N8 O2 P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0787","0.0575","","","0.1546","0.1697","","","","","","1.058","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7703619","15.06019","0.00016","18.1823","0.0002","15.73196","0.00019","90","","90","","90","","4307.87","0.08","170","2","170","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C43 H46 Fe O7 P2 Ru3 S -","- C43 H46 Fe O7 P2 Ru3 S -","- C172 H184 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0378","0.03","","","0.0608","0.0645","","","","","","1.077","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703642","7.502","0.004","12.789","0.007","14.764","0.008","90","","90","","90","","1416.5","1.3","93","2","93","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71075","MoKα","","0.0387","0.0342","","","0.0743","0.0765","","","","","","1.059","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703646","7.641","0.003","12.994","0.004","14.716","0.005","90","","90","","90","","1461.1","0.9","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71075","MoKα","","0.0513","0.0443","","","0.1087","0.113","","","","","","1.053","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7704483","14.781","0.002","19.903","0.002","6.1151","0.0006","90","","90","","90","","1799","0.4","100","2","99.99","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H18 N6 O -","- C21 H18 N6 O -","- C84 H72 N24 O4 -","4","1","","Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7364","7372","10.1039/d0dt01421d","","x-ray","1.54178","CuKα","","0.1011","0.0823","","","0.214","0.2264","","","","","","1.056","","","","has coordinates,has disorder","253872","2020-10-21","18:00:00",""
"7704803","17.6173","0.0006","12.7245","0.0006","12.3363","0.0004","90","","90","","90","","2765.44","0.18","134","3","134","3","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22.5 H27 Co2 O12 S2.5 -","- C22.5 H27 Co2 O12 S2.5 -","- C90 H108 Co8 O48 S10 -","4","1","","Wang, Lin; Zhang, Jian-Wei; Li, Chenchen; Sun, Jia-Lu; Wang, Guo-Ming; Chen, Yu-Zhen","Novel CoNi-metal-organic framework crystal-derived CoNi@C: synthesis and effective cascade catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10567","10573","10.1039/d0dt01558j","","","1.54184","CuKα","","0.0548","0.044","","","0.1067","0.1196","","","","","","1.069","","","","has coordinates,has disorder","257525","2020-10-21","18:00:00",""
"7704875","38.4703","0.0007","32.873","0.0007","11.9611","0.0003","90","","90","","90","","15126.4","0.6","100.02","0.12","100.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","CuATSMF18Glu","CuL1","","- C28 H33 Cu F18 N7 O9 S2 -","- C28 H33 Cu F18 N7 O9 S2 -","- C336 H396 Cu12 F216 N84 O108 S24 -","12","3","","Kadakia, Rahul T.; Xie, Da; Guo, Hongyu; Bouley, Bailey; Yu, Meng; Que, Emily L.","Responsive fluorinated nanoemulsions for <sup>19</sup>F magnetic resonance detection of cellular hypoxia.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16419","16424","10.1039/d0dt01182g","","","1.54184","CuKα","","0.093","0.0738","","","0.1796","0.195","","","","","","1.043","","","","has coordinates,has disorder","260789","2021-01-07","06:30:59",""
"7705875","11.8","0.0005","11.7153","0.0005","9.952","0.0005","90","","90","","90","","1375.77","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C24 H64 Br16 N8 Pb4 -","4","1","","Yu, Shan-Shan; Zhao, Hai-Rong; Zhang, Hui; Duan, Hai-Bao","Two chiral haloplumbate hybrids with thermochromism luminescence and application potential as luminescent thermometers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16643","16648","10.1039/d0dt02261f","","x-ray","0.71073","MoKα","","0.0446","0.042","","","0.1062","0.1079","","","","","","1.131","","","","has coordinates","259693","2020-12-09","03:14:27",""
"7706257","9.7978","0.0003","12.4501","0.0004","7.9839","0.0003","90","","90","","90","","973.9","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C42 H44 N4 O12 -","2","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","1.54178","CuKα","","0.0328","0.031","","","0.0783","0.0796","","","","","","1.089","","","","has coordinates","260510","2021-01-05","07:22:46",""
"7706442","15.744","0.002","24.553","0.004","11.926","0.002","90","","90","","90","","4610.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H37 Cl2 Ga O -","- C21 H37 Cl2 Ga O -","- C168 H296 Cl16 Ga8 O8 -","8","2","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0394","0.0293","","","0.0678","0.0724","","","","","","1.043","","","","has coordinates","262630","2021-03-05","02:01:08",""
"7706545","21.5853","0.0005","19.8516","0.0005","11.09","0.0003","90","","90","","90","","4752.1","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H66 Ca N2 O4 -","- C46 H66 Ca N2 O4 -","- C184 H264 Ca4 N8 O16 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0813","0.0751","","","0.2181","0.2273","","","","","","1.027","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7708048","21.0518","0.0006","21.3454","0.0006","16.3309","0.0005","90","","90","","90","","7338.4","0.4","180","2","180","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C81 H86 Al2 Br Li3 N6 O4 -","- C77.5 H82 Al2 Br Li3 N6 O4 -","- C310 H328 Al8 Br4 Li12 N24 O16 -","4","1","","Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise","Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02438H","","","1.54178","CuKα","","0.0848","0.0682","","","0.1855","0.2003","","","","","","1.041","","","","has coordinates","268083","2021-08-14","22:56:14",""
"7708333","14.027","0.0008","17.4139","0.0007","8.5193","0.0003","90","","90","","90","","2080.96","0.16","120.01","0.13","120.01","0.13","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H38 B N9 O6 Zn2 -","- C48 H38 B N9 O6 Zn2 -","- C96 H76 B2 N18 O12 Zn4 -","2","0.5","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","x-ray","0.71073","MoKα","","0.0698","0.0537","","","0.1225","0.1306","","","","","","1.09","","","","has coordinates,has disorder","269199","2021-09-17","23:10:03",""
"7708461","26.102","0.005","11.779","0.002","14.489","0.003","90","","90","","90","","4454.7","1.5","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C80 H124 Cu4 N4 O8 S4 -","- C80 H124 Cu4 N4 O8 S4 -","- C160 H248 Cu8 N8 O16 S8 -","2","0.5","","Hou, Xiao-Xiao; Ren, Ya-Ping; Luo, Zhao-Hui; Jiang, Bing-Li; Lu, Tian-Tian; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: syntheses, crystal structures, inhibition of angiogenesis and the growth of human breast cancer in vitro and in vivo","Dalton Transactions","2021","","","","","10.1039/D1DT02033A","","","0.71073","MoKα","","0.0599","0.0446","","","0.1233","0.137","","","","","","1.058","","","","has coordinates,has disorder","269380","2021-09-29","23:08:14",""
"7708982","12.0247","0.0009","20.8936","0.0015","8.5817","0.0006","90","","90","","90","","2156.1","0.3","223","2","223","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C32 H50 Br2 N4 O2 Pd2 S2 -","- C32 H50 Br2 N4 O2 Pd2 S2 -","- C64 H100 Br4 N8 O4 Pd4 S4 -","2","0.5","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0316","0.03","","","0.0852","0.086","","","","","","1.095","","","","has coordinates,has disorder","270968","2021-12-02","00:04:10",""
"7709692","54.965","0.002","15.0756","0.001","6.534","0.0004","90","","90","","90","","5414.3","0.5","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C40 H32 B Cl8 O6 S16 -","- C40 H32 B Cl8 O6 S16 -","- C160 H128 B4 Cl32 O24 S64 -","4","1","","Blundell, Toby J.; Lopez, Jordan R.; Sneade, Kathryn; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Coles, Simon J.; Wilson, Claire; Martin, Lee","Enantiopure and racemic radical-cation salts of B(mandelate)2− and B(2-chloromandelate)2− anions with BEDT-TTF","Dalton Transactions","2022","","","","","10.1039/D2DT00024E","","x-ray","1.54184","CuKα","","0.0773","0.0517","","","0.0945","0.1046","","","","","","0.997","","","","has coordinates,has disorder","273542","2022-03-08","23:52:20",""
"7709965","14.6367","0.0003","10.2416","0.0003","8.7513","0.0002","90","","90","","90","","1311.85","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","S-2-I","","- C6 H14 I3 N Pb0.5 -","- C5 H14 I3 N2 Pb0.5 -","- C20 H56 I12 N8 Pb2 -","4","1","","Jia, Xiaodi; Zheng, Yongshen; Cheng, Puxin; Han, Xiao; Xu, Liang; Xu, Jialiang","Methylpiperazine Based 0D Chiral Hybrid Lead Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00557C","","x-ray","0.71073","MoKα","","0.0188","0.0183","","","0.0398","0.04","","","","","","1.012","","","","has coordinates","274458","2022-04-11","23:06:33",""
"7709966","14.6421","0.0005","10.2354","0.0003","8.7575","0.0002","90","","90","","90","","1312.47","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","C5H14N2Pb0.5I3","","- C10 H28 I6 N4 Pb -","- C10 H28 I6 N4 Pb -","- C20 H56 I12 N8 Pb2 -","2","0.5","","Jia, Xiaodi; Zheng, Yongshen; Cheng, Puxin; Han, Xiao; Xu, Liang; Xu, Jialiang","Methylpiperazine Based 0D Chiral Hybrid Lead Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00557C","","x-ray","0.71073","MoKα","","0.0298","0.028","","","0.0642","0.0648","","","","","","1.077","","","","has coordinates","274458","2022-04-11","23:06:36",""
"7710058","8.2203","0.0003","22.7657","0.0009","4.4494","0.0002","90","","90","","90","","832.66","0.06","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Br2 Hg S4 -","- C10 H20 Br2 Hg S4 -","- C20 H40 Br4 Hg2 S8 -","2","0.5","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0213","0.0192","","","0.0326","0.0334","","","","","","1.139","","","","has coordinates,has disorder","274588","2022-04-19","23:10:18",""
"7712192","9.358","0.0004","8.8374","0.0004","7.1311","0.0003","90","","90","","90","","589.74","0.04","446","","446","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H24 B2 Mg N4 -","- C4 H24 B2 Mg N4 -","- C8 H48 B4 Mg2 N8 -","2","0.5","","Golub, Igor E.; Heere, Michael; Gounaris, Volodia; Li, Xiao; Steenhaut, Timothy; Wang, Jian; Robeyns, Koen; Li, Hai-Wen; Dovgaliuk, Iurii; Ikeda, Kazutaka; Hautier, Geoffroy; Filinchuk, Yaroslav","Structural insight into the magnesium borohydride - ethylenediamine solid-state Mg-ion electrolyte system.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2404","2411","10.1039/d2dt03567g","powder diffraction","","","X-ray","","","","","","","","","14.5004","","","","","","","","has coordinates","283247","2023-05-05","01:47:39",""
"7712503","18.1464","0.0004","28.9479","0.0007","16.427","0.0004","90","","90","","90","","8629.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C120 H256 Cu2 F12 N4 O119 P2 -","- C120 H186 Cu2 F12 N4 O119 P2 -","- C240 H372 Cu4 F24 N8 O238 P4 -","2","0.5","","Hamaguchi, Tomohiko; Ishikawa, Ryuta; Mishima, Akio; Hayami, Shinya; Ohba, Masaaki; Satoh, Minoru; Kawata, Satoshi","Structure and modified property of an inclusion complex of self-dimerised Cu(II) complex in γ-cyclodextrines","Dalton Transactions","2023","","","","","10.1039/D3DT00176H","","","0.71073","MoKα","","0.0895","0.0798","","","0.2211","0.234","","","","","","1.044","","","","has coordinates,has disorder","281275","2023-03-03","08:28:19",""
"7712604","9.2325","0.0001","33.2718","0.0005","10.5777","0.0002","90","","90","","90","","3249.28","0.09","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H44 Co N6 O8 -","- C26 H44 Co N6 O8 -","- C104 H176 Co4 N24 O32 -","4","1","","Akhter, Suffora; Khursheed, Salman; Arjmand, Farukh; Tabassum, Sartaj","Potential-bioactive revelation of water-soluble Boc-L-Valine and Imidazole appended metal complexes {M = Co(II), Cu(II) & Zn(II)}: Synthesis, characterization, ct-DNA binding, pBR322 cleavage, SOD mimetic and cytotoxicity studies","Dalton Transactions","2023","","","","","10.1039/D2DT03647A","","","0.71073","MoKα","","0.0553","0.0374","","","0.0877","0.0956","","","","","","1.068","","","","has coordinates","281854","2023-03-14","00:00:59",""
"7712605","9.4735","0.0001","32.9082","0.0006","10.5219","0.0002","90","","90","","90","","3280.26","0.09","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H44 Cu N6 O8 -","- C26 H44 Cu N6 O8 -","- C104 H176 Cu4 N24 O32 -","4","1","","Akhter, Suffora; Khursheed, Salman; Arjmand, Farukh; Tabassum, Sartaj","Potential-bioactive revelation of water-soluble Boc-L-Valine and Imidazole appended metal complexes {M = Co(II), Cu(II) & Zn(II)}: Synthesis, characterization, ct-DNA binding, pBR322 cleavage, SOD mimetic and cytotoxicity studies","Dalton Transactions","2023","","","","","10.1039/D2DT03647A","","","0.71073","MoKα","","0.0558","0.0404","","","0.0923","0.0995","","","","","","1.072","","","","has coordinates","281854","2023-03-14","00:01:00",""
"7712606","9.1857","0.0002","33.2856","0.001","10.6487","0.0003","90","","90","","90","","3255.86","0.15","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H44 N6 O8 Zn -","- C26 H44 N6 O8 Zn -","- C104 H176 N24 O32 Zn4 -","4","1","","Akhter, Suffora; Khursheed, Salman; Arjmand, Farukh; Tabassum, Sartaj","Potential-bioactive revelation of water-soluble Boc-L-Valine and Imidazole appended metal complexes {M = Co(II), Cu(II) & Zn(II)}: Synthesis, characterization, ct-DNA binding, pBR322 cleavage, SOD mimetic and cytotoxicity studies","Dalton Transactions","2023","","","","","10.1039/D2DT03647A","","","0.71073","MoKα","","0.0874","0.0431","","","0.0831","0.094","","","","","","1.051","","","","has coordinates","281854","2023-03-14","00:01:00",""
"7712760","24.6548","0.0004","16.0707","0.0003","10.4999","0.0001","90","","90","","90","","4160.27","0.11","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H67 Al N4 -","- C44 H67 Al N4 -","- C176 H268 Al4 N16 -","4","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.0458","0.0388","","","0.0886","0.0928","","","","","","1.04","","","","has coordinates,has disorder","282602","2023-04-11","23:05:08",""
"7712842","17.4074","0.0006","35.0636","0.0012","12.7379","0.0004","90","","90","","90","","7774.8","0.4","102","","102","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H62 Fe Si8 -","- C28 H62 Fe Si8 -","- C224 H496 Fe8 Si64 -","8","2","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0459","0.044","","","0.1201","0.1214","","","","","","1.048","","","","has coordinates,has disorder","282755","2023-04-19","23:57:20",""
"7713818","13.6305","0.0005","9.5069","0.0003","12.8227","0.0004","90","","90","","90","","1661.61","0.1","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(R,R)-2,3-Dianthraniloylbutane","(R,R)-2,3-Dianthraniloylbutane","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","1.54178","CuKα","","0.0252","0.025","","","0.0743","0.0744","","","","","","1.05","","","","has coordinates","285899","2023-08-29","22:56:17",""
"7714055","28.0052","0.0002","27.3628","0.0002","8.7392","0.0001","90","","90","","90","","6696.85","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H92 Cl2 P2 Ru Si -","- C76 H92 Cl2 P2 Ru Si -","- C304 H368 Cl8 P8 Ru4 Si4 -","4","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","x-ray","1.54184","CuKα","","0.0438","0.041","","","0.089","0.0901","","","","","","1.042","","","","has coordinates,has disorder","286599","2023-09-28","22:59:54",""
"7714581","13.4115","0.0004","7.5092","0.0002","10.274","0.0003","90","","90","","90","","1034.69","0.05","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H20 F6 N2 O6 Sn -","- C16 H20 F6 N2 O6 Sn -","- C32 H40 F12 N4 O12 Sn2 -","2","0.5","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0181","0.0176","","","0.0459","0.0461","","","","","","1.07","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714583","13.4225","0.0004","7.5081","0.0002","10.2706","0.0003","90","","90","","90","","1035.05","0.05","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H20 F6 N2 O6 Sn -","- C16 H20 F6 N2 O6 Sn -","- C32 H40 F12 N4 O12 Sn2 -","2","0.5","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0257","0.0237","","","0.0587","0.0597","","","","","","1.061","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714857","13.642","0.0012","21.8159","0.0017","10.0776","0.0009","90","","90","","90","","2999.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Co N2 O7 -","- C28 H22 Co N2 O7 -","- C112 H88 Co4 N8 O28 -","4","1","","Liu, Nana; Liu, Tingting; Liu, Guangning; Mi, Xiuna; Li, Yunwu; Yang, Lu; Zhou, Zhen; Wang, Suna","Two isostructural Zn/Co-MOFs with penetrating structures: multifunctional properties of both luminescence sensing and conversion of CO<sub>2</sub> into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3654","3665","10.1039/d3dt03466f","","","0.71073","MoKα","","0.0573","0.0367","","","0.0624","0.0677","","","","","","0.981","","","","has coordinates","290158","2024-03-04","20:11:49",""
"7714858","13.6458","0.0013","21.7476","0.0019","10.1293","0.0009","90","","90","","90","","3006","0.5","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 N2 O7 Zn -","- C28 H22 N2 O7 Zn -","- C112 H88 N8 O28 Zn4 -","4","1","","Liu, Nana; Liu, Tingting; Liu, Guangning; Mi, Xiuna; Li, Yunwu; Yang, Lu; Zhou, Zhen; Wang, Suna","Two isostructural Zn/Co-MOFs with penetrating structures: multifunctional properties of both luminescence sensing and conversion of CO<sub>2</sub> into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3654","3665","10.1039/d3dt03466f","","","0.71073","MoKα","","0.046","0.0324","","","0.0633","0.0666","","","","","","1.054","","","","has coordinates","290158","2024-03-04","20:11:50",""
"7715130","23.739","0.003","33.351","0.003","16.799","0.003","90","","90","","90","","13300","3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C62 H100 K N6 O6 Si Ti4 -","- C54.5 H88 K0.75 N5.5 O4.5 Si Ti4 -","- C436 H704 K6 N44 O36 Si8 Ti32 -","8","2","","Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos","Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4844","4855","10.1039/d3dt04241c","","x-ray","0.71073","MoKα","","0.0981","0.057","","","0.1057","0.1178","","","","","","1.016","","","","has coordinates,has disorder","290921","2024-04-04","23:20:36",""
"7715628","17.0467","","17.1602","","13.0717","","90","","90","","90","","3823.8","","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H30 N2 O2 Pt -","- C30 H30 N2 O2 Pt -","- C180 H180 N12 O12 Pt6 -","6","1.5","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00273C","","","0.71073","MoKα","","0.0226","0.022","","","0.057","0.0572","","","","","","1.082","","","","has coordinates","290764","2024-04-03","22:55:56",""
"7715707","28.8805","0.0005","15.381","0.0002","8.49297","0.00012","90","","90","","90","","3772.67","0.1","120","0.1","120","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H36 Fe N10 O9 -","- C36 H36 Fe N10 O9 -","- C144 H144 Fe4 N40 O36 -","4","1","","Jornet-Mollá, Verónica; Rodríguez-Tarrazó, Marina Iris; Dolz Lozano, Miquel Jordi; Giménez-Saiz, Carlos; Romero, Francisco M.","Hydrogen-bonded assemblies of iron(II) spin crossover complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00579A","","","0.71073","MoKα","","0.071","0.0554","","","0.1011","0.1061","","","","","","1.101","","","","has coordinates","291151","2024-04-09","22:54:46",""
"8000086","14.4561","0.0009","18.171","0.0009","14.125","0.001","90","","90","","90","","3710.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H39 O10.5 Si5 Ti -","- C31 H39 O10.5 Si5 Ti -","- C124 H156 O42 Si20 Ti4 -","4","1","","Hirotsu, Masakazu; Taruno, Shinsuke; Yoshimura, Takashi; Ueno, Keiji; Unno, Masafumi; Matsumoto, Hideyuki","Synthesis and Structures of the First Titanium(IV) Complexes with Cyclic Tetrasiloxide Ligands: Incomplete and Complete Cage Titanosiloxanes","Chemistry Letters","2005","34","11","1542","","10.1246/cl.2005.1542","","","0.71073","MoKα","","0.0478","0.0443","","","0.1121","0.1147","","","","","","1.009","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8100353","12.202","0.001","27.79","0.001","9.128","0.001","90","0.01","90","0.01","90","0.01","3095.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","butyloxycarbonyl-isoleucyl-dehydro-phenylalanyl-isoleucine methyl ester","","","- C27 H43 N3 O7 -","- C27 H41 N3 O7 -","- C108 H164 N12 O28 -","4","1","","Makker, J.; Dey, S.; Kumar, P.; Singh, T. P.","Crystal structure of Boc-L-Ile-ΔPhe-Ile-OCH~3~, C~27~H~41~N~3~O~6~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","179","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100636","8.8078","0.0006","21.2092","0.0013","5.342","0.0004","90","","90","","90","","997.92","0.12","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C36 H60 N4 O16 -","4","1","","Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-trihydroxy-5,6-O-isopropylidene- 3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]isoxazole, C~9~H~15~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","279","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101084","14.983","0.005","26.74","0.006","7.12","0.003","90","","90","","90","","2852","2","173","","173","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H13 F3 -","- C19 H13 F3 -","- C152 H104 F24 -","8","2","","Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.","Crystal structure of 1-[(E)-2-[4-(trifluoromethyl)phenyl]-1-ethenyl]- naphthalene, C~19~H~13~F~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","545","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101181","18.887","0.004","20.582","0.004","8.165","0.002","90","","90","","90","","3174","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Phenyl 2-biphenyl-2´-carboxamide diselenide","","","- C38 H28 N2 O2 Se2 -","- C38 H28 N2 O2 Se2 -","- C152 H112 N8 O8 Se8 -","4","1","","Spirlet, Marie-Rose; Mohsine, Abdelaziz; Christians, Léon","Crystal structure of phenyl 2-biphenyl-2-carboxamide diselenide, C~38~H~28~N~2~O~2~Se~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","121","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101682","18.483","0.002","9.4125","0.001","10.0721","0.0011","90","","90","","90","","1752.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(5R,10R)-2,7-dibromo-3,8-dihydroxy-5,10-dimethoxyl- 5,10-dihydro-chromeno[5,4,3-cde]chromene sequihydrate","","- C16 H15 Br2 O7.5 -","- C16 H15 Br2 O7.5 -","- C64 H60 Br8 O30 -","4","1","","Q.-W. Liu; X. Fan; C.-H. Tan; T. Zhang; L.-J. Han; D.-Y. Zhu","Crystal structure of (5R,10R)-2,7-dibromo-3,8-dihydroxy-5,10-dimethoxy- 5,10-dihydrochromeno[5,4,3-cde]chromene sesquihydrate, C~16~H~12~Br~2~O~6~ · 1.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","25","26","","","","0.71073","MoKα","","0.1192","0.0827","","","0.1911","0.202","","","","","","0.933","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102412","11.684","0.002","19.076","0.003","6.2971","0.0011","90","","90","","90","","1403.5","0.4","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","μ-Carbonato-bis[diaqua(N,N,N',N'-tetramethylethylenediamine) nickel(II)] perchlorate","","- C40 H120 Cl4 N12 Ni6 O40 -","- C6.5 H20 Cl N2 Ni O7.5 -","- C26 H80 Cl4 N8 Ni4 O30 -","4","1","","Keiko Miyamoto; Ernst Horn; Yutaka Fukuda","Crystal structure of μ-carbonato-bis[diaqua(N,N,N',N'- tetramethylethylenediamine)nickel(II)] perchlorate, [Ni(C6H16N2)(H2O)2(CO3)0.5]2(ClO4)2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","131","","","","","0.71073","MoKα","","0.0511","0.0428","","","0.1033","0.1073","","","","","","1.07","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102484","13.388","0.0002","14.7605","0.0003","12.3126","0.0002","90","","90","","90","","2433.14","0.07","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","tetrakis-<i>μ</i>~3~-iodido- tetrakis[(nicotine)copper(I)]","","- C40 H56 Cu4 I4 N8 -","- C40 H56 Cu4 I4 N8 -","- C80 H112 Cu8 I8 N16 -","2","0.5","","Zheng-Jing Jiang; Yu Zhang; Guo-Dong Tang; Jian-Ying Zhao; Lu-De Lu","Crystal structure of tetra-m3-iodo-tetrakis[(nicotine)copper(I)], Cu4I4(C10H14N2)4","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","466","","","","","0.71073","MoKα","","0.0575","0.0487","","","0.1028","0.1043","","","","","","1.042","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103006","9.9381","0.0019","14.717","0.003","3.8559","0.0014","90","","90","","90","","564","0.3","295.15","","295.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","hexastrontium dinitridoferrate(I) bis-carbodiimide mononitride","Hexastrontium [dinitridoferrate(I)] bis[carbodiimide] mononitride","","- C2 Fe N7 Sr6 -","- C2 Fe N7 Sr6 -","- C4 Fe2 N14 Sr12 -","2","0.5","","Joanna Katarzyna Bendyna; Peter Höhn; Rüdiger Kniep","Crystal structure of hexastrontium [dinitridoferrate(I)] bis(carbodiimide) mononitride, (Sr6N)[FeN2][CN2]2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","5","","","","","0.71073","MoKα","","0.0425","0.0368","","","0.055","0.0573","","","","","","1.095","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103110","9.3104","0.0015","5.7038","0.0009","8.2585","0.0014","90","","90","","90","","438.56","0.12","294","2","294","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","poly[(μ~3~-ethylene-dithiodiacetato- κ^6^-S, S^'^,O, O^'^: O^''^: O^'''^)manganese(II)]","","- C6 H8 Mn O4 S2 -","- C6 H8 Mn O4 S2 -","- C12 H16 Mn2 O8 S4 -","2","0.5","","Zhong-Xiang Du; Gui-Ying Zhang","Crystal structure of (μ3-ethylenedithiodiacetato-κ6-S,S',O,O':O'':O''')manganese(II), Mn(C6H8O4S2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","33","","","","","0.71073","MoKα","","0.0165","0.0157","","","0.0423","0.0428","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103725","5.372","","9.116","","6.444","","90","","90","","90","","315.57","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Cd (N H2 N H C O O)2","","- C2 H6 Cd N4 O4 -","- C2 Cd N4 O4 -","- C4 Cd2 N8 O8 -","2","0.5","","Braibanti, A.; Tiripicchio, A.; Manotti Lanfredi, A.M.; Bigoli, F.","The Crystal Structure of Bis(hydrazincarboxylato-N',O) Cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1968","126","","307","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104602","12.467","0.003","39.168","0.008","7.6005","0.0016","90","","90","","90","","3711.4","1.4","296.15","","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H42 O17 -","- C38 H42 O17 -","- C152 H168 O68 -","4","1","","Liu, Juan; Chen, Sai; Li, Honglei","The crystal structure of bis(2-acetyl-5-methoxyphenyl)carbonate 1.5 hydrate, C19H18O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1341","1343","10.1515/ncrs-2021-0336","","","0.71073","MoKα","","0.0626","0.044","","","0.0965","0.1054","","","","","","1.021","","","","has coordinates","273106","2022-02-22","10:38:19",""
"8104796","15.8641","0.0006","11.123","0.0004","13.0925","0.0005","90","","90","","90","","2310.26","0.15","301","2","301","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H25 N O9 -","- C23 H25 N O9 -","- C92 H100 N4 O36 -","4","1","","Zhang, Xianping; Feng, Sisi; Lu, Liping","Crystal structure of 2, 3-bis((4-methylbenzoyl)oxy) succinic acid–N, N-dimethylformamide (1/1), C23H25NO9","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","667","669","10.1515/ncrs-2021-0015","","","0.71073","MoKα","","0.0484","0.0372","","","0.0822","0.0883","","","","","","1.068","","","","has coordinates","273796","2022-03-18","09:12:15",""
"8104939","8.0968","0.0007","16.6829","0.0017","5.3097","0.0005","90","","90","","90","","717.22","0.12","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C28 H32 N8 O6 -","2","0.5","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang","The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","259","260","10.1515/ncrs-2020-0476","","","0.71073","MoKα","","0.0548","0.042","","","0.0759","0.0816","","","","","","1.011","","","","has coordinates","274102","2022-03-30","07:30:45",""
"8105805","10.1837","0.0005","11.2878","0.0006","11.3984","0.0004","90","","90","","90","","1310.26","0.11","290.6","0.2","290.6","0.2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C11 H8 Cl2 Co0.5 N2 O3 -","- C11 H8 Cl2 Co0.5 N2 O3 -","- C44 H32 Cl8 Co2 N8 O12 -","4","1","","Li, Xiao-Ling; Feng, Kai-Xin; Xin, Ling-Yun","Crystal structure of catena-poly[diaqua-bis(3,5-dichloropyridine-4-carboxylato-κ1 O)-bis(μ2-4,4′-bipyridine-κ2 N:N′)cobalt(II)], C22H16Cl4CoN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","639","640","10.1515/ncrs-2018-0592","","x-ray","0.71073","MoKα","","0.0463","0.04","","","0.0879","0.091","","","","","","1.022","","","","has coordinates","278006","2022-09-20","09:28:20",""
"8105832","12.6727","0.0004","19.8422","0.0007","7.5471","0.0003","90","","90","","90","","1897.75","0.12","243","2","242.97","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C41 H64 O9 -","- C41 H64 O9 -","- C82 H128 O18 -","2","0.5","","Zou, Juan; Tang, Tian-Tian; Ye, Jiang-Hai; Zhao, Chen-Liang; He, Kang; Pan, Lu-Tai","Crystal structure of 6-hydroxy-4,8,11b-trimethyltetradecayhdro-8,11-epoxy-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid – methanol (1/1), C20H30O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","725","727","10.1515/ncrs-2019-0075","","","0.71073","MoKα","","0.0475","0.0448","","","0.1275","0.1311","","","","","","1.088","","","","has coordinates,has disorder","278075","2022-09-22","09:16:12",""
"8106462","14.3799","0.0005","15.4444","0.0006","9.5555","0.0005","90","","90","","90","","2122.17","0.16","153","2","153","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H66 P4 Ti2 -","- C50 H66 P4 Ti2 -","- C100 H132 P8 Ti4 -","2","0.5","","Oswald, Tim; Beermann, Thomas; Saak, Wolfgang; Beckhaus, Rüdiger","Crystal structure of a P4-bridged (η 5-pentamethyl-cyclopentadienyl)(η 5-adamantylcyclopentadienyl) titanium(III)complex, C50H66P4Ti2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","143","145","10.1515/ncrs-2016-0198","","","0.71073","MoKα","","0.0513","0.0334","","","0.0628","0.0666","","","","","","0.9","","","","has coordinates","280328","2023-01-13","08:38:26",""
"8106635","13.236","0.004","18.566","0.005","4.7869","0.0013","90","","90","","90","","1176.3","0.6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,2-difluoro-4-(trifluoromethyl)-2,5-dihydro-[1,3,2]dioxaborinino[5,4-c] chromen-3-ium-2-uide","","- C11 H6 B F5 O3 -","- C11 H6 B F5 O3 -","- C44 H24 B4 F20 O12 -","4","1","","Yu, Guang; bai, JinYuan; Hou, YanJun","The crystal structure of 2,2-difluoro-4-(trifluoromethyl)-2,5-dihydro-[1,3,2]dioxaborinino[5,4-c]chromen-3-ium-2-uide, C11H6BF5O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","665","666","10.1515/ncrs-2016-0400","","","0.71073","MoKα","","0.0473","0.0409","","","0.1057","0.1117","","","","","","1.112","","","","has coordinates,has disorder","280699","2023-01-31","09:45:32",""
"8106654","11.624","0.0009","12.9628","0.0011","10.5166","0.0009","90","","90","","90","","1584.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H54 N2 O7 -","- C30 H54 N2 O7 -","- C60 H108 N4 O14 -","2","0.5","","Cheng, Di; Zai, Yanbing","Crystal structure of bis(tetraethylammonium) [1,1′-biphenyl]-2,2′-dicarboxylate trihydrate, C30H54N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","719","720","10.1515/ncrs-2016-0365","","","0.71073","MoKα","","0.0445","0.0382","","","0.1083","0.1152","","","","","","1.052","","","","has coordinates","280733","2023-02-01","10:20:23",""
"8107387","10.0361","0.0011","18.542","0.002","9.7357","0.0012","90","","90","","90","","1811.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Li, Yijv; Zhao, Nengwu; Ye, Jianghai; Xu, Fangfang; Li, Tiantian; Lang, Tianqiong","The crystal structure of strictic acid, C20H26O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","177","179","10.1515/ncrs-2022-0591","","","0.71073","MoKα","","0.0887","0.0535","","","0.1364","0.1553","","","","","","1.016","","","","has coordinates","284493","2023-06-16","07:59:42",""
"8107648","14.604","0.001","18.865","0.002","11.0673","0.0009","90","","90","","90","","3049.1","0.5","","","296","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H72 N8 Ni2 O20 S4 -","- C52 H72 N8 Ni2 O20 S4 -","- C104 H144 N16 Ni4 O40 S8 -","2","0.5","","Han, Min-Le; Du, De-Guang","Crystal structure of catena[(tetraaqua-bis(μ2-(4,4'-bipyridine-κ2N:N'))- nickel(II)][(diaqua-bis(3-methyl-4-amino-benzensulphonate-κ1O)-bis(μ2- (4,4'-bipyridine-κ2N:N'))nickel(II)]—3-methyl-4-aminobenzensulphonate— ethanol (1:2:2), C52H72N8Ni2O20S4","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","41","43","10.1515/ncrs-2014-0222","","x-ray","0.71073","MoKα","","","0.0282","","","0.0727","","","","","","","","","","","has coordinates","287562","2023-11-13","09:27:58",""
"9000419","7.349","","7.515","","7.894","","90","","90","","90","","435.968","","","","","","","","2600000","","","","","4","P 21 21 2","P 2 2ab","18","","","Gillespite","- Ba Fe O10 Si4 -","- Ba Fe O10 Si4 -","- Ba2 Fe2 O20 Si8 -","2","0.5","","Hazen, R. M.; Burnham, C. W.","The crystal structures of gillespite I and II: A structure determination at high pressure P = 26 kbar, known as gillespite II","American Mineralogist","1974","59","","1166","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000461","7.349","","7.515","","7.894","","90","","90","","90","","435.968","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","Gillespite","- Ba Fe O10 Si4 -","- Ba Fe O10 Si4 -","- Ba2 Fe2 O20 Si8 -","2","0.5","","Hazen, R. M.; Burnham, C. W.","The Crystal Structure of Gillespite II at 26 Kilobars: Correction and Addendum","American Mineralogist","1975","60","","937","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000880","7.4985","","7.3223","","7.92","","90","","90","","90","","434.858","","","","","","","","2100000","","","","Fresno Co, California, USA","4","P 21 21 2","P 2 2ab","18","","","Gillespite","- Ba Fe O10 Si4 -","- Ba Fe O10 Si4 -","- Ba2 Fe2 O20 Si8 -","2","0.5","","Hazen, R. M.; Finger, L. W.","High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition P = 21 kbar","American Mineralogist","1983","68","","595","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000881","7.445","","7.224","","7.783","","90","","90","","90","","418.591","","","","","","","","4500000","","","","","4","P 21 21 2","P 2 2ab","18","","","Gillespite","- Ba Fe O10 Si4 -","- Ba Fe O10 Si4 -","- Ba2 Fe2 O20 Si8 -","2","0.5","","Hazen, R. M.; Finger, L. W.","High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition P = 45 kbar","American Mineralogist","1983","68","","595","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001113","17.43","","12.24","","4.35","","90","","90","","90","","928.043","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Perroudite","- Ag4.4 Br0.8 Cl2 Hg4.1 I1.6 S4.1 -","- Ag4.4 Br0.8 Cl2 Hg4.1 I1.6 S4.1 -","- Ag8.8 Br1.6 Cl4 Hg8.2 I3.2 S8.2 -","2","0.5","","Mumme, W. G.; Nickel, E. H.","Crystal structure and crystal chemistry of perroudite: A mineral from Coppin Pool, Western Australia","American Mineralogist","1987","72","","1257","1262","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001406","6.803","","12.87","","4.528","","90","","90","","90","","396.447","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","Capgaronnite","- Ag Br0.18 Cl0.82 Hg S -","- Ag Br0.18 Cl0.82 Hg S -","- Ag4 Br0.72 Cl3.28 Hg4 S4 -","4","1","","Mason, B.; Mumme, W. G.; Sarp, H.","Capgaronnite, HgSAg(Cl,Br,I), a new sulfide-halide mineral from Var, France","American Mineralogist","1992","77","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9005329","9.5374","","9.6127","","6.5233","","90","","90","","90","","598.057","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O13.08 Si3 -","- Al2 Ba0.9 Ca0.1 H6.16 O13.08 Si3 -","- Al4 Ba1.8 Ca0.2 H12.32 O26.16 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 310 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005330","9.4903","","9.569","","6.529","","90","","90","","90","","592.916","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O12.46 Si3 -","- Al2 Ba0.9 Ca0.1 H4.92 O12.46 Si3 -","- Al4 Ba1.8 Ca0.2 H9.84 O24.92 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 396 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005331","9.4393","","9.5089","","6.5042","","90","","90","","90","","583.8","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O12.04 Si3 -","- Al2 Ba0.9 Ca0.1 H4.08 O12.04 Si3 -","- Al4 Ba1.8 Ca0.2 H8.16 O24.08 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 451 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005332","9.3758","","9.4097","","6.5377","","90","","90","","90","","576.779","","","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","Edingtonite","- Al2 Ba0.9 Ca0.1 H3.809 O10.68 Si3 -","- Al2 Ba0.9 Ca0.1 H1.36 O10.68 Si3 -","- Al4 Ba1.8 Ca0.2 H2.72 O21.36 Si6 -","2","0.5","","Stahl, K.; Hanson, J. C.","An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 643 K","European Journal of Mineralogy","1998","10","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9011123","8.035","","10.309","","3.795","","90","","90","","90","","314.351","","","","","","","","","","","","Synthetic","4","P 21 21 2","P 2 2ab","18","","","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Taylor, J. C.; Sabine, T. M.","Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: HOX(XR)","Acta Crystallographica, Section B","1972","28","","3340","3351","10.1107/S0567740872007927","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011124","8.025","","10.3","","3.799","","90","","90","","90","","314.016","","","","","","","","","","","","Synthetic","4","P 21 21 2","P 2 2ab","18","","","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Taylor, J. C.; Sabine, T. M.","Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: NOX(XR)","Acta Crystallographica, Section B","1972","28","","3340","3351","10.1107/S0567740872007927","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011125","8.027","","10.298","","3.816","","90","","90","","90","","315.438","","","","","","","","","","","","Synthetic","4","P 21 21 2","P 2 2ab","18","","","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Taylor, J. C.; Sabine, T. M.","Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: DOX(XR)","Acta Crystallographica, Section B","1972","28","","3340","3351","10.1107/S0567740872007927","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011126","8.035","","10.309","","3.795","","90","","90","","90","","314.351","","","","","","","","","","","","Synthetic","4","P 21 21 2","P 2 2ab","18","","","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Taylor, J. C.; Sabine, T. M.","Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: HOX(N)","Acta Crystallographica, Section B","1972","28","","3340","3351","10.1107/S0567740872007927","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011127","8.025","","10.3","","3.799","","90","","90","","90","","314.016","","","","","","","","","","","","Synthetic","4","P 21 21 2","P 2 2ab","18","","","Oxammite","- C2 H2 N2 O5 -","- C2 H2 N2 O5 -","- C4 H4 N4 O10 -","2","0.5","","Taylor, J. C.; Sabine, T. M.","Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: NOX(N)","Acta Crystallographica, Section B","1972","28","","3340","3351","10.1107/S0567740872007927","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011128","8.027","","10.298","","3.816","","90","","90","","90","","315.438","","","","","","","","","","","","Synthetic","4","P 21 21 2","P 2 2ab","18","","","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Taylor, J. C.; Sabine, T. M.","Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: DOX(N)","Acta Crystallographica, Section B","1972","28","","3340","3351","10.1107/S0567740872007927","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011231","4.628","","11.497","","4.776","","90","","90","","90","","254.122","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- As2 O6 S -","- As2 O6 S -","- As4 O12 S2 -","2","0.5","","Mercier, R.; Douglade, J.","Affinement de la structure avec tunnels de paires E dans un oxysulfate d'arsenic: (As2O2)(SO4)","Acta Crystallographica, Section B","1982","38","","896","898","10.1107/S0567740882004324","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011468","7.6648","","7.7914","","2.9213","","90","","90","","90","","174.459","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Al2.5 Ge0.486 Nd0.029 O4.855 Pb0.083 -","- Al2.5 Ge0.486 Nd0.0286 O4.855 Pb0.0828 -","- Al5 Ge0.972 Nd0.0572 O9.71 Pb0.1656 -","2","0.5","","Saalfeld, H.; Klaska, K. H.","A Pb/Nd-stabilized mullite of the composition Al5.03Ge0.97Pb0.15Nd0.06O9.71","Zeitschrift fur Kristallographie","1985","172","","129","133","10.1524/zkri.1985.172.1-2.129","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011743","17.637","","17.967","","3.104","","90","","90","","90","","983.608","","","","","","","","","","","","Tauern Window, Schleigeistal, Zillertaler, Alpen, Austria","7","P 21 21 2","P 2 2ab","18","","","Karlite","- Al0.6 B6 Cl0.8 Fe0.3 H8 Mg12.1 O26 -","- Al0.6 B6 Cl0.8 Fe0.3 H8 Mg12.1 O26 -","- Al1.2 B12 Cl1.6 Fe0.6 H16 Mg24.2 O52 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Sabelli, C.; Trosti-Ferroni R","Karlite: crystal structure and chemical composition","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","1986","","253","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012888","4.655","","11.54","","4.795","","90","","90","","90","","257.581","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- As2 O6 S -","- As2 O6 S -","- As4 O12 S2 -","2","0.5","","Mercier, R.","Etude structurale du compose As2O3, 1 SO3","Revue de Chimie Minerale","1975","12","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013111","2.168","","3.755","","3.416","","90","","90","","90","","27.809","","","","","","","","28300000","","","","Synthetic","1","P 21 21 2","P 2 2ab","18","Beryllium","","Beryllium","- Be -","- Be -","- Be4 -","4","1","","Vijayakumar, V.; Godwal, B. K.; Vohra, Y. K.; Sikka, S. K.; Chidambaram, R.","On the high-pressure phase transition in beryllium metal Sample: at P = 28.3 GPa Note: phase II","Journal of Physics F: Metal Physics","1984","14","","L65","L68","10.1088/0305-4608/14/5/002","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""