# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:48:10+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section C') AND volume = 58 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
"2012405","7.8444","0.0003","8.4654","0.0003","20.4378","0.0008","90","","94.188","0.001","90","","1353.57","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis(diethanolamine-N,O)bis(saccharinato-N)cadmium(II)","","- C22 H30 Cd N4 O10 S2 -","- C22 H30 Cd N4 O10 S2 -","- C44 H60 Cd2 N8 O20 S4 -","2","0.5","AV1092","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.","<i>trans</i>-Bis(diethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)cadmium(II)","Acta Crystallographica Section C","2002","58","1","m14","m16","10.1107/S0108270101018546","","","0.71073","MoKα","","0.033","0.025","","","0.062","0.064","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012406","20.781","0.002","10.7159","0.0012","17.8255","0.0019","90","","90","","90","","3969.5","0.7","170","2","170","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(4,4'-dimethyl-2,2'-bipyridyl)tris[3,3,3-trifluoro-1-(2-thenoyl)acetonato]- europium(III)","","- C36 H24 Eu F9 N2 O6 S3 -","- C36 H24 Eu F9 N2 O6 S3 -","- C144 H96 Eu4 F36 N8 O24 S12 -","4","1","BK1611","Zheng, Zhiping; Wang, Jiafu; Liu, Hui; Carducci, Michael D.; Peyghambarian, Nasser; Jabbourb, Ghassan E.","A triboluminescent europium(III) complex","Acta Crystallographica Section C","2002","58","1","m50","m52","10.1107/S0108270101016432","","","0.71073","MoKα","","0.0347","0.0261","","","0.0573","0.0616","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012407","9.863","0.001","12.065","0.002","8.605","0.001","90","","101.45","0.01","90","","1003.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-Bis(benzoato-O)tetrakis(methanol-O)iron(II)","","- C18 H26 Fe O8 -","- C18 H26 Fe O8 -","- C36 H52 Fe2 O16 -","2","0.5","BK1620","McMullen, Sarah E.; Hagen, Karl S.","<i>trans</i>-Bis(benzoato-<i>O</i>)tetrakis(methanol-<i>O</i>)iron(II): ligand bulk is not structure-determining","Acta Crystallographica Section C","2002","58","1","m48","m49","10.1107/S010827010101873X","","","0.71073","MoKα","","0.029","0.027","","","0.077","0.078","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012408","13.061","0.0007","6.8155","0.0004","20.7293","0.0011","90","","99.677","0.001","90","","1819.01","0.17","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sodium p-nitrobenzoxasulfamate monohydrate","","- C6 H5 N2 Na O6 S -","- C6 H5 N2 Na O6 S -","- C48 H40 N16 Na8 O48 S8 -","8","1","BM1465","Yazicilar, Turan K.; Andac, Omer; Bekdemir, Yunus; Kutuk, Halil; Yilmaz, Veysel T.; Harrison, William T. A.","Sodium <i>p</i>-nitrobenzoxasulfamate monohydrate","Acta Crystallographica Section C","2002","58","1","m21","m22","10.1107/S0108270101017930","","","0.71069","MoKα","","0.0371","0.03","","","0.0815","0.085","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012409","11.6695","0.0008","18.2129","0.0012","19.194","0.0013","90","","106.42","0.004","90","","3913","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl2 N2 O4 U2 -","- C36 H52 Cl2 N2 O4 U2 -","- C144 H208 Cl8 N8 O16 U8 -","4","1","BM1473","Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel","A dinuclear uranium(IV) complex of the chelating ligand 1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadiene","Acta Crystallographica Section C","2002","58","1","m8","m9","10.1107/S0108270101016961","","","0.71073","MoKα","","0.29","0.0866","","","0.117","0.184","","","","","","0.917","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012410","10.8638","0.0007","9.6264","0.0005","15.9399","0.0009","90","","94.27","0.003","90","","1662.36","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","BM1474","Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo","Bis[2-(2-hydroxyphenoxy)ethyl] ether methanol solvate","Acta Crystallographica Section C","2002","58","1","o14","o15","10.1107/S010827010101664X","","","0.71073","MoKα","","0.0771","0.0452","","","0.1033","0.1194","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012411","7.521","0.0002","15.627","0.0004","8.3657","0.0003","90","","105","0.001","90","","949.72","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(pyrazol-3-yl)phenolato]copper(II) methanol disolvate","","- C20 H22 Cu N4 O4 -","- C20 H22 Cu N4 O4 -","- C40 H44 Cu2 N8 O8 -","2","0.5","BM1476","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Bis[2-(pyrazol-3-yl)phenolato-κ^2^<i>N</i>^2^,<i>O</i>]copper(II) dimethanol solvate","Acta Crystallographica Section C","2002","58","1","m10","m11","10.1107/S0108270101017656","","","0.71073","MoKα","","0.0374","0.0336","","","0.0898","0.093","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012412","10.899","0.0004","5.8759","0.0002","13.3784","0.0005","90","","90","","90","","856.77","0.05","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","Dicaesium silver zinc thiocyanate","dicaesium(I)-μ-thiocyanate-κ^2^N,S-zinc(II)-tetra-μ-thiocyanato-κ^2^S,N- argentate(I)","","- C5 Ag Cs2 N5 S5 Zn -","- C5 Ag Cs2 N5 S5 Zn -","- C10 Ag2 Cs4 N10 S10 Zn2 -","2","0.5","BR1342","Günes̨, Minna; Valkonen, Jussi","Dicaesium silver zinc thiocyanate, Cs~2~[AgZn(SCN)~5~]","Acta Crystallographica Section C","2002","58","1","i1","i2","10.1107/S0108270101015463","","","0.71073","MoKα","","0.0483","0.0376","","","0.0829","0.0872","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012413","5.08","0.0002","5.0748","0.0002","8.3009","0.0003","90","","90","","119.625","0.0002","186.023","0.012","473","","473","","","","","","","","","3","P 1 1 21","P 2c","4","","aluminium phosphate","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","1","BR1343","Graetsch, Heribert A.","Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data","Acta Crystallographica Section C","2002","58","1","i18","i20","10.1107/S0108270101015773","","","1.54056","CuKα","","","","","","","","","","1.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012414","5.0803","0.0002","5.0703","0.0002","8.2992","0.0003","90","","90","","119.604","0.0003","185.87","0.012","463","","473","","","","","","","","","3","P 1 1 21","P 2c","4","","aluminium phosphate","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","1","BR1343","Graetsch, Heribert A.","Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data","Acta Crystallographica Section C","2002","58","1","i18","i20","10.1107/S0108270101015773","","","1.54056","CuKα","","","","","","","","","","1.38","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012415","12.035","0.002","12.235","0.002","6.541","0.002","90","","114.14","0.02","90","","878.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver tricobalt phosphate bis(hydrogen phosphate)","","- Ag Co3 H2 O12 P3 -","- Ag Co3 H2 O12 P3 -","- Ag4 Co12 H8 O48 P12 -","4","0.5","BR1345","Guesmi, Abderrahmen; Driss, Ahmed","AgCo~3~PO~4~(HPO~4~)~2~","Acta Crystallographica Section C","2002","58","1","i16","i17","10.1107/S0108270101017759","","","0.71069","MoKα","","0.025","0.025","","","0.068","0.068","","","","","","1.216","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012416","12.736","0.0002","5.379","0.0004","8.166","0.0006","90","0.005","90","0.004","90","0.004","559.43","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","vanadium aluminium molybdate","","- Al Mo O7 V -","- Al Mo O7 V -","- Al4 Mo4 O28 V4 -","4","0.5","BR1347","Galy, Jean; Enjalbert, Renée; Rozier, Patrick; Millet, Patrice","The mixed oxide MoVAlO~7~","Acta Crystallographica Section C","2002","58","1","i6","i8","10.1107/S010827010101767X","","","0.71073","MoKα","","0.0486","0.0348","","0.0865","","0.0825","","","","1.106","1.106","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012417","7.8696","0.0001","19.091","0.0002","7.7411","0.0001","90","","93.338","0.001","90","","1161.04","0.02","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","dicaesium calcium disilver thiocyanate dihydrate","dicaesium calcium disilver thiocyanate dihydrate","","- C6 H4 Ag2 Ca Cs2 N6 O2 S6 -","- C6 H4 Ag2 Ca Cs2 N6 O2 S6 -","- C12 H8 Ag4 Ca2 Cs4 N12 O4 S12 -","2","0.5","BR1348","Nättinen, Kalle; Günes̨, Minna; Valkonen, Jussi","Calcium dicaesium silver thiocyanate dihydrate","Acta Crystallographica Section C","2002","58","1","i21","i22","10.1107/S0108270101017413","","","0.71073","MoKα","","0.0397","0.0332","","","0.057","0.0587","","","","","","1.123","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012418","7.7004","0.0004","9.5777","0.0005","16.5825","0.0008","90","","90","","90","","1222.99","0.11","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Vanadyl pyrophosphate","Oxovanadium(IV) diphosphate","","- O9 P2 V2 -","- O9 P2 V2 -","- O72 P16 V16 -","8","2","BR1349","Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf","Synchrotron-radiation study of the two-leg spin-ladder (VO)~2~P~2~O~7~ at 120K","Acta Crystallographica Section C","2002","58","1","i9","i13","10.1107/S0108270101017553","","","0.70843","synchrotron","","0.0352","0.0306","","","0.0675","0.0684","","","","","","0.877","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012419","9.9348","0.0015","11.5498","0.0017","11.9637","0.0017","71.806","0.003","75.622","0.003","66.844","0.002","1186.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Cu2(tren)2Cl2](1,5-nds)2.5H2O","Di-μ-chloro-bis({2-[N,N-bis(2-aminoethyl)amino-κ^3^N]ethylaminium}copper(II)) bis(naphthalene-1,5-disulfonate) pentahydrate","","- C32 H60 Cl2 Cu2 N8 O17 S4 -","- C32 H58 Cl2 Cu2 N8 O17.04 S4 -","- C32 H58 Cl2 Cu2 N8 O17.04 S4 -","1","0.5","DA1201","Chen, Cai-Hong; Cai, Jiwen; Chen, Xiao-Ming","Di-μ-chloro-bis({2-[<i>N</i>,<i>N</i>-bis(2-aminoethyl)amino-κ^3^<i>N</i>]ethylaminium}copper(II)) bis(naphthalene-1,5-disulfonate) pentahydrate","Acta Crystallographica Section C","2002","58","1","m59","m60","10.1107/S010827010101561X","","","0.71073","MoKα","","0.045","0.041","","","0.114","0.118","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012420","13.381","0.002","20.813","0.002","13.881","0.002","90","","109.68","0.01","90","","3640","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","1","DA1204","Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul","4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate","Acta Crystallographica Section C","2002","58","1","o26","o28","10.1107/S0108270101018273","","","1.5418","CuKα","","0.079","0.0536","","","0.1448","0.1628","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012421","7.5272","0.0003","10.194","0.0004","11.578","0.0004","96.227","0.001","98.428","0.001","108.763","0.001","820.55","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate","","- C19 H15 Br O3 -","- C19 H15 Br O3 -","- C38 H30 Br2 O6 -","2","1","DA1204","Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul","4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate","Acta Crystallographica Section C","2002","58","1","o26","o28","10.1107/S0108270101018273","","","0.71073","MoKα","","0.0629","0.056","","","0.1414","0.1455","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012422","12.9519","0.0001","18.1406","0.0001","15.6117","0.0002","90","","95.23","0.001","90","","3652.78","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Fe N3 O S -","- C21 H17 Fe N3 O S -","- C168 H136 Fe8 N24 O8 S8 -","8","2","DA1205","Yang, Jia-Xiang; Tian, Yu-Peng; Liu, Qing-Liang; Xie, Yong-Shu; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","<i>N</i>-(Ferrocenecarbonyl)-<i>N</i>'-(quinolin-8-yl)thiourea","Acta Crystallographica Section C","2002","58","1","m43","m44","10.1107/S0108270101018303","","","0.71073","MoKα","","0.0866","0.046","","","0.0955","0.1049","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012423","10.2447","0.0001","10.3416","0.0001","16.9848","0.0002","90","","103.482","0.001","90","","1749.89","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-diacetyl-3-hydroxy-1,1',3,3'-tetrahydro-3,3'-bisindole-2,2'-dione","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C80 H64 N8 O20 -","4","1","DA1206","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua","1,1'-Diacetyl-3-hydroxy-2,2',3,3'-tetrahydro-3,3'-bi(1<i>H</i>-indole)-2,2'-dione","Acta Crystallographica Section C","2002","58","1","o24","o25","10.1107/S0108270101017875","","","0.71073","MoKα","","0.0721","0.0529","","","0.1297","0.138","","","","","","0.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012424","8.676","0.005","11.843","0.008","12.279","0.008","80.81","0.01","71.74","0.01","84.6","0.01","1181.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diazido μ~1,3~-azidotetra(1,10-phenanthroline) diCopper(II) azide tetrahydrate","","- C24 H20 Cu N10 O2 -","- C24 H20 Cu N10 O2 -","- C48 H40 Cu2 N20 O4 -","2","1","DE1175","Cheng, Ya-Qian; Hu, Mao-Lin; Wang, Shun; Ye, Ming-De","μ~1,3~-Azido-diazidotetrakis(1,10-phenanthroline)dicopper(II) azide tetrahydrate","Acta Crystallographica Section C","2002","58","1","m12","m13","10.1107/S0108270101016948","","","0.71073","MoKα","","0.065","0.0458","","","0.1078","0.1209","","","","","","1.028","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2012425","12.8651","0.0007","13.7422","0.0007","15.2642","0.0009","70.595","0.002","70.795","0.002","71.944","0.002","2341.9","0.2","173","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 Al4 F30 N2 Si2 Ti2 -","- C96 H88 Al4 F30 N2 Si2 Ti2 -","- C96 H88 Al4 F30 N2 Si2 Ti2 -","1","0.5","FR1315","Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.","A dimeric constrained-geometry titanium complex linked by double Ti‒CH~2~‒Al‒CH~2~ heterocycles","Acta Crystallographica Section C","2002","58","1","m41","m42","10.1107/S0108270101016754","","","0.71073","MoKα","","0.119","0.0518","","","0.0999","0.1225","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012426","25.0078","0.0008","6.7416","0.0001","14.3677","0.0004","90","","92.495","0.001","90","","2419.99","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[penta-aquabis{N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)glycinate}strontium monohydrate]","","- C14 H28 N10 O14 Sr -","- C14 H28 N10 O14 Sr -","- C56 H112 N40 O56 Sr4 -","4","1","FR1349","Glidewell, Christopher; Low, John N.; Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Gutiérrez Valero, M^a^ Dolores","<i>catena</i>-Poly[[[{<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-<i>O</i>}pentaaquastrontium]-μ-<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-<i>O</i>:<i>O</i>'] monohydrate]: coordination polymer chains linked by hydrogen bonds into a three-dimensional framework","Acta Crystallographica Section C","2002","58","1","m61","m64","10.1107/S0108270101017887","","","0.71073","MoKα","","0.0523","0.0395","","","0.0957","0.1021","","","","","","1.063","","","","has coordinates,has Fobs","176760","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",""
"2012428","32.84","0.005","32.84","0.005","13.918","0.003","90","","90","","120","","12999","4","150","2","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H32 O8 -","- C34 H32 O8 -","- C612 H576 O144 -","18","1","FR1354","Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.","2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate","Acta Crystallographica Section C","2002","58","1","o29","o31","10.1107/S0108270101019163","","","0.71073","MoKα","","","0.0436","","","","0.1136","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012429","10.027","0.002","10.243","0.002","16.852","0.003","90","","100.39","0.03","90","","1702.4","0.6","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H37 Cl3 O8 -","- C37 H37 Cl3 O8 -","- C74 H74 Cl6 O16 -","2","1","FR1354","Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.","2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate","Acta Crystallographica Section C","2002","58","1","o29","o31","10.1107/S0108270101019163","","","0.71073","MoKα","","","0.041","","","","0.0995","","","","","","0.95","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012430","24.41","0.02","14.479","0.006","7.63","0.004","90","","90","","90","","2697","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","{5-(dimethylamino)-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}[N-(4- methoxyphenyl)-4-nitrosalicylaldiminato]palladium(II)","","- C30 H28 N4 O5 Pd -","- C30 H28 N4 O5 Pd -","- C120 H112 N16 O20 Pd4 -","4","1","GD1166","Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara","Two orthopalladated chromophores","Acta Crystallographica Section C","2002","58","1","m26","m28","10.1107/S0108270101014147","","","0.71069","MoKα","","0.1659","0.0553","","","0.0979","0.1237","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012431","31.582","0.01","7.5847","0.001","26.557","0.006","90","","104.96","0.03","90","","6146","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[4-(diethylamino)-N-(4-methoxyphenyl)salicylaldiminato]- {5-methoxy-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}palladium(II), dichloromethane hemisolvate","","- C32.5 H33 Cl N4 O5 Pd -","- C32.5 H33 Cl N4 O5 Pd -","- C260 H264 Cl8 N32 O40 Pd8 -","8","1","GD1166","Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara","Two orthopalladated chromophores","Acta Crystallographica Section C","2002","58","1","m26","m28","10.1107/S0108270101014147","","","0.71069","MoKα","","0.1764","0.0611","","","0.1171","0.1506","","","","","","0.975","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012433","23.5477","0.0004","4.9605","0.0001","14.2556","0.0008","90","","100.702","0.001","90","","1636.21","0.1","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C76 H76 N4 O24 -","4","1","GD1178","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo","A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section C","2002","58","1","o42","o45","10.1107/S0108270101018297","","","0.71073","MoKα","","0.061","0.044","","","0.108","0.124","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012434","9.5849","0.0002","12.3218","0.0004","13.3304","0.0004","83.4617","0.0014","80.2411","0.0017","85.7271","0.0016","1539.04","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(N,N-dimethylamino)phenyl]prop-2-en-1-one","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","GD1178","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo","A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section C","2002","58","1","o42","o45","10.1107/S0108270101018297","","","0.71073","MoKα","","0.081","0.054","","","0.138","0.154","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012435","7.544","0.001","9.085","0.001","9.302","0.001","89.84","0.01","84.03","0.01","87.98","0.01","633.68","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-4(1H)-pyridinethione","","- C6 H7 N S -","- C6 H7 N S -","- C24 H28 N4 S4 -","4","2","GG1079","Ziȩba, Andrzej; Maślankiewicz, Andrzej; Suwińska, Kinga","Azinyl Sulfides. LXVII. 1-Methylpyridine-4(1<i>H</i>)-thione","Acta Crystallographica Section C","2002","58","1","o32","o33","10.1107/S0108270101018029","","","1.54178","CuKα","","0.0635","0.0459","","","0.1258","0.1349","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012436","6.967","0.003","9.068","0.003","16.007","0.005","90","","91.05","0.03","90","","1011.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aquabromo(hydrogenpicolinato)mercury(II)","Aquabromo(6-carboxypyridine-2-carboxylato-O,N,O')mercury(II)","","- C7 H6 Br Hg N O5 -","- C7 H6 Br Hg N O5 -","- C28 H24 Br4 Hg4 N4 O20 -","4","1","JZ1482","Matković-Čalogović, Dubravka; Popović, Jasminka; Popović, Zora; Picek, Igor; Soldin, Željka","Aquabromo(6-carboxypyridine-2-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>')mercury(II)","Acta Crystallographica Section C","2002","58","1","m39","m40","10.1107/S0108270101018613","","","0.71073","MoKα","","0.06","0.028","","","0.058","0.066","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012437","8.7517","0.0001","17.3654","0.0002","13.0543","0.0002","90","","90.837","0.001","90","","1983.74","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetatobis(trimethylenethiourea)zinc(II) Monohydrate","","- C12 H24 N4 O5 S2 Zn -","- C12 H24 N4 O5 S2 Zn -","- C48 H96 N16 O20 S8 Zn4 -","4","1","LN1123","Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat","Diacetatobis(trimethylenethiourea)zinc(II) monohydrate","Acta Crystallographica Section C","2002","58","1","m31","m33","10.1107/S0108270101017577","","","0.71073","MoKα","","0.0674","0.0544","","","0.1324","0.1384","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012438","12.4995","0.0002","6.6344","0.0001","18.6203","0.0002","90","","107.022","0.001","90","","1476.48","0.04","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hexamethylenetetramine-2,4,6-trinitrophenol","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C48 H60 N28 O28 -","4","1","LN1125","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok","Hexamethylenetetraminium 2,4,6-trinitrophenolate","Acta Crystallographica Section C","2002","58","1","o46","o47","10.1107/S0108270101018571","","","0.71073","MoKα","","0.0689","0.058","","","0.1474","0.1539","","","","","","0.951","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012439","27.1214","0.0003","7.1327","0.0001","7.4776","0.0001","90","","90","","90","","1446.53","0.03","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Hexamethylenetetramine-4-hydroxy-3-methoxybenzaldehyde","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C56 H80 N16 O12 -","4","1","LN1127","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok","A 1:1 adduct of hexamethylenetetramine and 4-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section C","2002","58","1","o48","o50","10.1107/S0108270101020194","","","0.71073","MoKα","","0.0631","0.0486","","","0.1071","0.1134","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012440","15.963","0.003","16.051","0.003","16.552","0.003","88.59","0.03","62.54","0.03","69.16","0.03","3466.9","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Antimony phthalocyanine - antimony iodide","Tetrakis(phthalocyaninato(2-)antimony(III) hexadecaiodotetraantimony(III)","","- C128 H64 I16 N32 Sb8 -","- C128 H64 I16 N32 Sb8 -","- C128 H64 I16 N32 Sb8 -","1","0.5","NA1539","Janczak, Jan; Idemori, Ynara Marina","Tetrakis[phthalocyaninato(2‒)antimony(III)] hexadecaiodotetraantimony(III)","Acta Crystallographica Section C","2002","58","1","m23","m25","10.1107/S0108270101017590","","","0.71073","MoKα","","0.062","0.0365","","","0.0728","0.0785","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012441","10.083","0.002","12.77","0.003","25.816","0.005","95.64","0.03","96.98","0.03","92.07","0.03","3279.6","1.2","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cl N6 P3 -","- C57 H78 Cl3 N18 P9 -","- C114 H156 Cl6 N36 P18 -","2","1","NA1540","Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A.","Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative","Acta Crystallographica Section C","2002","58","1","o51","o54","10.1107/S010827010101770X","","","0.71073","MoKα","","0.115","0.0594","","","0.1375","0.1583","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012442","16.163","0.003","16.298","0.003","17.401","0.004","90","","103.36","0.03","90","","4459.8","1.6","120","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cl N6 P3 -","- C19 H26 Cl N6 P3 -","- C152 H208 Cl8 N48 P24 -","8","1","NA1540","Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A.","Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative","Acta Crystallographica Section C","2002","58","1","o51","o54","10.1107/S010827010101770X","","","0.71073","MoKα","","","0.0542","","","","0.1245","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012443","16.524","0.004","5.2898","0.0009","17.021","0.003","90","","111.229","0.017","90","","1386.8","0.5","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","NA1541","Crispini, Alessandra; Neve, Francesco","2,6-Diphenylpyridine-4-carboxylic acid","Acta Crystallographica Section C","2002","58","1","o34","o35","10.1107/S0108270101017693","","","0.71073","MoKα","","0.1272","0.0448","","","","0.0892","","","","","","0.872","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012444","10.0709","0.0007","12.6595","0.0008","13.547","0.001","77.016","0.007","75.004","0.006","68.225","0.006","1533.3","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","trans-bis(acetonitrile)-bis(di-2-pyridylsulfide-N,N')-ruthenium(ii) bis(tetrafluoroborate) monohydrate","","- C24 H24 B2 F8 N6 O Ru S2 -","- C24 H24 B2 F8 N6 O Ru S2 -","- C48 H48 B4 F16 N12 O2 Ru2 S4 -","2","1","NA1542","Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Lanza, Santo","<i>trans</i>-Diacetonitrilebis(di-2-pyridyl sulfide-<i>N,N</i>')ruthenium(II) bis(tetrafluoroborate) monohydrate","Acta Crystallographica Section C","2002","58","1","m56","m58","10.1107/S0108270101018091","","","0.71073","MoKα","","0.0443","0.0316","","","0.0772","0.0852","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012445","7.521","0.0007","10.6669","0.0009","13.3202","0.0009","80.185","0.006","82.009","0.007","75.147","0.007","1012.69","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H12 Hg Mn N10 O3 S4 -","- C7 H12 Hg Mn N10 O3 S4 -","- C14 H24 Hg2 Mn2 N20 O6 S8 -","2","1","OB1045","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Poly[[[tri(urea-κ<i>O</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]-tri-μ-tetrathiocyanato]","Acta Crystallographica Section C","2002","58","1","m36","m38","10.1107/S010827010101719X","","","0.71073","MoKα","","0.0321","0.0274","","0.0696","","0.0646","","","1.023","","","1.038","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012446","12.6014","0.0014","3.7706","0.0004","6.274","0.0007","90","","90","","90","","298.11","0.06","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl H2 O2 Sm -","- Cl H2 O2 Sm -","- Cl4 H8 O8 Sm4 -","4","0.5","OS1144","Jouve, Cyril; Marrot, Jerome; Riou, Didier","β-Sm(OH)~2~Cl: a new lamellar variety","Acta Crystallographica Section C","2002","58","1","i14","i15","10.1107/S0108270101016882","","","0.71073","MoKα","","0.0356","0.0254","","","0.0554","0.06","","","","","","1.118","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012447","8.1365","0.0004","12.5177","0.0006","15.7558","0.0008","93.054","0.001","97.494","0.001","98.03","0.001","1571.24","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-2,6-dimethanol)cobalt(II) disaccharinate dihydrate","","- C28 H30 Co N4 O12 S2 -","- C28 H30 Co N4 O12 S2 -","- C56 H60 Co2 N8 O24 S4 -","2","1","OS1148","Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.","Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","1","m17","m20","10.1107/S0108270101018807","","","0.71073","MoKα","","0.051","0.035","","","0.088","0.094","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012448","8.1544","0.0004","12.4805","0.0005","15.751","0.0007","93.195","0.001","97.501","0.001","97.877","0.001","1569.85","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-2,6-dimethanol)copper(II) disaccharinate dihydrate","","- C28 H30 Cu N4 O12 S2 -","- C28 H30 Cu N4 O12 S2 -","- C56 H60 Cu2 N8 O24 S4 -","2","1","OS1148","Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.","Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","1","m17","m20","10.1107/S0108270101018807","","","0.71073","MoKα","","0.056","0.035","","","0.083","0.09","","","","","","0.944","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012449","7.2679","0.0003","15.0351","0.0007","13.3607","0.0006","90","","91.921","0.001","90","","1459.15","0.11","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Barium(II)-2,4-dinitrophenolate-18-Crown-6","","- C24 H30 Ba N4 O16 -","- C24 H30 Ba N4 O16 -","- C48 H60 Ba2 N8 O32 -","2","0.5","SK1500","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun","Barium(II)‒2,4-dinitrophenolate‒18-crown-6 at 183K","Acta Crystallographica Section C","2002","58","1","m45","m47","10.1107/S0108270101018339","","","0.71073","MoKα","","0.044","0.0381","","","0.1035","0.1206","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012450","10.3705","0.0018","14.903","0.002","20.375","0.004","90","","90","","90","","3149","0.9","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","μ~4~-oxo-hexa-μ-chloro-tetrakis[(2-methyl-2-thiazoline)copper(II)]","","- C16 H28 Cl6 Cu4 N4 O S4 -","- C16 H28 Cl6 Cu4 N4 O S4 -","- C64 H112 Cl24 Cu16 N16 O4 S16 -","4","0.5","SK1502","Bolos, C. A.; Christidis, P. C.","Hexa-μ-chloro-μ~4~-oxo-tetrakis[(4,5-dihydro-2-methyl-1,2-thiazole-κ<i>N</i>)copper(II)]","Acta Crystallographica Section C","2002","58","1","m29","m30","10.1107/S0108270101016870","","","0.7107","MoKα","","0.1708","0.0635","","","0.1033","0.127","","","","","","0.901","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012451","28.049","0.007","31.198","0.008","3.727","0.001","90","","90","","90","","3261.4","1.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","nitroxoline","8-hydroxy-5-nitroquinoline","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C144 H96 N32 O48 -","16","1","SK1513","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride","Acta Crystallographica Section C","2002","58","1","o19","o21","10.1107/S0108270101018224","","","1.5418","CuKα","","","","","","","","","","2.104","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012452","7.566","0.004","7.467","0.004","16.334","0.007","90","","92.49","0.03","90","","921.9","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-5-nitroquinolinium chloride","","- C9 H7 Cl N2 O3 -","- C9 H7 Cl N2 O3 -","- C36 H28 Cl4 N8 O12 -","4","1","SK1513","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride","Acta Crystallographica Section C","2002","58","1","o19","o21","10.1107/S0108270101018224","","","1.5418","CuKα","","","","","","","","","","1.85","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012453","10.619","0.002","16.605","0.003","11.966","0.002","90","","104.67","0.03","90","","2041.2","0.7","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 S2 -","- C29 H20 S2 -","- C116 H80 S8 -","4","1","SK1514","Kansikas, Jarno; Sipilä, Kaija","An anthracene dimer with a fused 1,3-dithiole ring at 193K","Acta Crystallographica Section C","2002","58","1","o16","o18","10.1107/S0108270101016985","","","1.5418","CuKα","","0.0495","0.0414","","","0.1073","0.1129","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012454","9.6393","0.0004","11.4219","0.0005","17.7338","0.001","76.768","0.0018","87.458","0.0017","74.064","0.003","1827.24","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4'-pyridyl)ethene (1/1)","","- C48 H40 Fe N2 O2 -","- C48 H40 Fe N2 O2 -","- C96 H80 Fe2 N4 O4 -","2","1","SK1515","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane","Acta Crystallographica Section C","2002","58","1","m1","m4","10.1107/S0108270101017152","","","0.71073","MoKα","","0.0815","0.05","","","0.1107","0.1251","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012455","10.2027","0.0002","11.7067","0.0002","14.6172","0.0003","84.978","0.0009","70.2454","0.0008","70.3612","0.0008","1546.88","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,6-diaminohexane","","- C78 H76 Fe2 N2 O4 -","- C78 H76 Fe2 N2 O4 -","- C78 H76 Fe2 N2 O4 -","1","0.5","SK1515","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane","Acta Crystallographica Section C","2002","58","1","m1","m4","10.1107/S0108270101017152","","","0.71073","MoKα","","0.037","0.0315","","","0.078","0.0817","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012456","10.2076","0.0002","10.6559","0.0002","10.9341","0.0002","100.992","0.0016","109.453","0.0014","101.67","0.0011","1054.49","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(4'-pyridyl)ethane‒1,1,1-tris(4-hydroxyphenyl)ethane (1/2)","","- C52 H48 N2 O6 -","- C52 H48 N2 O6 -","- C52 H48 N2 O6 -","1","0.5","SK1516","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions","Acta Crystallographica Section C","2002","58","1","o1","o5","10.1107/S0108270101017139","","","0.71073","MoKα","","0.0564","0.0439","","","0.1136","0.1226","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012457","11.8264","0.0009","14.2158","0.0009","16.8109","0.0012","90","","90","","90","","2826.3","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(4'-pyridyl)ethene‒1,1,1-tris(4-hydroxyphenyl)ethane‒methanol (1/1/1)","","- C33 H32 N2 O4 -","- C33 H32 N2 O4 -","- C132 H128 N8 O16 -","4","1","SK1516","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions","Acta Crystallographica Section C","2002","58","1","o1","o5","10.1107/S0108270101017139","","","0.71073","MoKα","","0.1006","0.0566","","","0.1226","0.1486","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012458","7.2907","0.0003","8.3423","0.0004","8.4324","0.0004","96.406","0.002","106.359","0.002","90.43","0.003","488.63","0.04","150","2","150","12","","","","","","","","4","P -1","-P 1","2","","N,N'-Dimethylpiperazine‒tartaric acid‒water (1/2/2)","","- C14 H30 N2 O14 -","- C14 H30 N2 O14 -","- C14 H30 N2 O14 -","1","0.5","SK1517","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A structural hierarchy in the hydrogen-bonded adduct <i>N</i>,<i>N</i>'-dimethylpiperazine‒tartaric acid‒water (1/2/2): an <i>N</i>-component <i>N</i>-dimensional structure (<i>N</i>~= 3) with substructures having <i>N</i> = 1 and 2","Acta Crystallographica Section C","2002","58","1","o6","o8","10.1107/S0108270101017449","","","0.71073","MoKα","","0.0611","0.04","","","0.0974","0.1087","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012459","7.3982","0.0011","31.854","0.005","9.516","0.002","90","","94.608","0.017","90","","2235.3","0.7","294","1","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TCPI-TTF","2-[3-(1-cyano-2-nitriloethylidene)-2-prop-2-enyl-2,3-dihydro- 1H-isoindol-1-yliden]propanedinitrile tetrathiafulvalene (1:1)","","- C23 H13 N5 S4 -","- C23 H13 N5 S4 -","- C92 H52 N20 S16 -","4","1","SK1518","Crean, Colm; Gallagher, John F.; Pratt, Albert C.","2,2'-[2,3-Dihydro-2-(prop-2-enyl)-1<i>H</i>-isoindole-1,3-diylidene]bis(propanedinitrile)‒tetrathiafulvalene (1/1), TCPI‒TTF","Acta Crystallographica Section C","2002","58","1","o36","o38","10.1107/S0108270101017632","","","0.71073","MolybdenumKα","","0.06","0.045","","","0.11","0.121","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012460","3.7303","0.0002","7.6638","0.0004","22.6435","0.0013","90","","90.369","0.002","90","","647.33","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Phthalimide [1H-Isoindole-1,3(2H)-dione]","","- C8 H5 N O2 -","- C8 H5 N O2 -","- C32 H20 N4 O8 -","4","1","SK1520","Zakaria, Choudhury M.; Low, John N.; Glidewell, Christopher","Phthalimide at 120K: perforated molecular ribbons containing three different ring motifs","Acta Crystallographica Section C","2002","58","1","o9","o10","10.1107/S0108270101018212","","","0.71073","MoKα","","0.0705","0.0429","","","0.0927","0.1027","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012461","11.2891","0.0003","11.4128","0.0004","13.4504","0.0005","91.217","0.002","114.64","0.003","113.759","0.0015","1403.88","0.1","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","5-(3-(4-methylphenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","2","SK1522","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen","Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","2002","58","1","o39","o41","10.1107/S0108270101018765","","","0.71073","MoKα","","0.137","0.0622","","","0.1346","0.1653","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012462","7.2648","0.0002","7.4705","0.0003","13.5855","0.0006","90.1799","0.0013","99.8452","0.0014","109.576","0.003","683.01","0.05","120","1","120","0.1","","","","","","","","4","P -1","-P 1","2","","5-(3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","SK1522","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen","Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","2002","58","1","o39","o41","10.1107/S0108270101018765","","","0.71073","MoKα","","0.0762","0.0525","","","0.1345","0.1531","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012463","13.3507","0.0001","16.8198","0.0002","17.6306","0.0002","90","","113.641","0.0007","90","","3626.8","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒2,2'-dipyridylamine (1/1)","","- C46 H39 Fe N3 O2 -","- C46 H39 Fe N3 O2 -","- C184 H156 Fe4 N12 O8 -","4","1","SK1523","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): a finite cyclic 1:1adduct with 2,2'-dipyridylamine","Acta Crystallographica Section C","2002","58","1","m5","m7","10.1107/S0108270101018844","","","0.71073","MoKα","","0.0446","0.0363","","","0.0896","0.0948","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012464","16.0822","0.0003","9.2422","0.0002","13.2718","0.0002","90","","114.393","0.0008","90","","1796.57","0.06","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1,4,4-tetramethylpiperazinium pentabromothallate(III)","","- C8 H20 Br5 N2 Tl -","- C8 H20 Br5 N2 Tl -","- C32 H80 Br20 N8 Tl4 -","4","0.5","SK1524","Linden, Anthony; Petridis, Alexander; James, Bruce D.","A second polymorph of 1,1,4,4-tetramethylpiperazinium pentabromothallate(III)","Acta Crystallographica Section C","2002","58","1","m53","m55","10.1107/S0108270101019746","","","0.71073","MoKα","","0.0349","0.0292","","","0.066","0.0678","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012465","10.179","0.004","7.933","0.002","23.776","0.006","90","","94.244","0.019","90","","1914.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,20-bis(2-hydroxyethyl)-6,20-diaza-3,9,17,23-hexaazoniatricyclo- [23.3.1.1.^11,15^]triaconta-1(29),11(30),12,14,25,27-hexaene tetrabromide tetrahydrate","","- C28 H58 Br4 N6 O6 -","- C28 H58 Br4 N6 O6 -","- C56 H116 Br8 N12 O12 -","2","0.5","TA1341","Yang, De-Xi; Li, Shu-An; Li, Dong-Feng; Tang, Wen-Xia","A novel binucleating macrocyclic ligand with two alcohol pendants","Acta Crystallographica Section C","2002","58","1","o11","o13","10.1107/S0108270101016146","","","0.71073","MoKα","","0.1058","0.0469","","","0.0984","0.1222","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012466","24.066","0.002","10.017","0.001","7.608","0.001","90","","101.35","0.01","90","","1798.2","0.3","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","Macrocalyxin I","2-[1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-7-hydroxy-4b,8,8-trimethylphenanthren- 2-yl]propenoic acid","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","TA1347","Shi, Hao; Pan, Yuan Jiang","Macrocalyxin I","Acta Crystallographica Section C","2002","58","1","o55","o56","10.1107/S0108270101018625","","","0.71073","MoKα","","0.0576","0.04","","","0.0907","0.0968","","","","","","0.98","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012467","11.7051","0.0005","8.0381","0.0003","19.8739","0.0007","90","","92.879","0.002","90","","1867.51","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Fe N3 O8 -","- C18 H18 Fe N3 O8 -","- C72 H72 Fe4 N12 O32 -","4","1","TA1352","Yaoyu Feng,; Ong, Say-Leong; Hu, Jiangyong; Ng, Wun-Jern","Aqua(nitrilotriacetato)(1,10-phenanthroline)iron(III) monohydrate: a seven-coordinate iron(III) complex","Acta Crystallographica Section C","2002","58","1","m34","m35","10.1107/S0108270101017036","","","0.71073","MoKα","","0.0743","0.04","","","0.087","0.0975","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012468","8.154","0.001","8.602","0.003","15.005","0.004","90","","102.47","0.02","90","","1027.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile","","- C25 H27 N O2 -","- C24.982 H27 N O2 -","- C49.964 H54 N2 O4 -","2","1","AV1086","Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane","<small>D</small>-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","2002","58","2","o63","o65","10.1107/S0108270101018182","","","1.54178","CuKα","","0.107","0.061","","","0.133","0.15","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012469","9.8063","0.0005","6.697","0.001","16.201","0.001","90","","101.455","0.005","90","","1042.77","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C50 H58 N2 O4 -","2","1","AV1086","Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane","<small>D</small>-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","2002","58","2","o63","o65","10.1107/S0108270101018182","","","1.54178","CuKα","","0.044","0.039","","","0.093","0.1","","","","","","0.957","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012470","9.0336","0.0018","10.63","0.002","10.717","0.002","90","","108.78","0.03","90","","974.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[tris(2-aminoethyl)amine]nickel(II) dichoride","","- C12 H36 Cl2 N8 Ni -","- C12 H36 Cl2 N8 Ni -","- C24 H72 Cl4 N16 Ni2 -","2","0.5","AV1089","Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang","Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~","Acta Crystallographica Section C","2002","58","2","m70","m73","10.1107/S0108270101015992","","","0.71073","MoKα","","0.0913","0.0328","","","0.0633","0.0728","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012471","10.147","0.002","11.852","0.002","19.122","0.004","90","","104.44","0.03","90","","2227","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[tris(2-aminoethyl)amine]nickel(II) tetrathiotungstate","","- C12 H36 N8 Ni S4 W -","- C12 H36 N8 Ni S4 W -","- C48 H144 N32 Ni4 S16 W4 -","4","1","AV1089","Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang","Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~","Acta Crystallographica Section C","2002","58","2","m70","m73","10.1107/S0108270101015992","","","0.71073","MoKα","","0.0339","0.0214","","","0.0501","0.0526","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012472","17.643","0.004","14.466","0.002","10.481","0.003","90","","90","","90","","2675","1","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","triferrocenylboroxine","","- C30 H27 B3 Fe3 O3 -","- C30 H27 B3 Fe3 O3 -","- C120 H108 B12 Fe12 O12 -","4","0.5","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.0643","0.0392","","","0.0959","0.108","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012473","17.895","0.003","14.792","0.003","10.4806","0.0018","90","","90","","90","","2774.2","0.9","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","triferrocenylborazine","","- C30 H30 B3 Fe3 N3 -","- C30 H30 B3 Fe3 N3 -","- C120 H120 B12 Fe12 N12 -","4","0.5","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.1097","0.0516","","","0.0919","0.1113","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012474","10.896","0.003","10.345","0.004","11.709","0.005","90","","100.213","0.018","90","","1298.9","0.8","154","2","154","2","","","","","","","","5","P 1 21 1","P 2yb","4","","triferrocenylboroxine","","- C30 H27 B3 Fe3 O3 -","- C30 H27 B3 Fe3 O3 -","- C60 H54 B6 Fe6 O6 -","2","1","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.0978","0.0799","","","0.1978","0.2103","","","","","","1.249","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012475","25.6848","0.0018","9.7131","0.001","10.5531","0.0013","90","","111.63","0.006","90","","2447.4","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","0.5","AV1094","Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre","2,3,6,7-Tetrahydroxy-9,10-dimethyl-9,10-dihydro-9,10-ethanoanthracene bis(1,4-dioxane) solvate","Acta Crystallographica Section C","2002","58","2","o86","o87","10.1107/S0108270101019035","","","0.71073","MoKα","","0.0686","0.0463","","","0.102","0.1125","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012476","15.6688","0.001","9.6025","0.0005","9.5303","0.0007","90","","90","","90","","1433.93","0.16","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C24 H38 N2 O12 U -","- C24 H38 N2 O12 U -","- C48 H76 N4 O24 U2 -","2","0.5","AV1095","Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo","First- and second-~sphere coordination of the uranyl ion by bis[2-(2-hydroxyphenoxy)ethoxy]ethane","Acta Crystallographica Section C","2002","58","2","m84","m86","10.1107/S0108270101019047","","","0.71073","MoKα","","0.0443","0.0388","","","0.0889","0.0911","","","","","","1.203","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2012477","7.8072","0.0005","11.0636","0.0008","17.9361","0.0009","90","","90","","90","","1549.24","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis ((R,R)-tartrato-O^1^,O^2^:O^3^,O^4^)dinickel(II) Trihydrate","","- C8 H18 Ni2 O17 -","- C8 H18 Ni2 O17 -","- C32 H72 Ni8 O68 -","4","1","AV1097","Scherb, Sandra; Näther, Christian; Bensch, Wolfgang","Diaquabis[μ-(<i>R</i>,<i>R</i>)-tartrato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^]dinickel(II) trihydrate","Acta Crystallographica Section C","2002","58","2","m135","m136","10.1107/S0108270101021059","","","0.71073","MoKα","","0.0243","0.0238","","","0.0627","0.063","","","","","","1.055","","","","has coordinates,has Fobs","198633","2020-10-21","18:00:00",""
"2012478","6.5676","0.0007","17.2459","0.0018","15.7394","0.0016","90","","96.803","0.01","90","","1770.2","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-2-methylbut-1-en-1-yl-(4-trifluoromethylphenyl)iodonium trifluoromethanesulfonate","","- C13 H13 F6 I O3 S -","- C13 H13 F6 I O3 S -","- C52 H52 F24 I4 O12 S4 -","4","1","BK1616","Hinkle, Robert J.; McDonald, Robert","(<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety","Acta Crystallographica Section C","2002","58","2","o117","o121","10.1107/S0108270101019084","","","0.71073","MoKα","","0.059","0.049","","","0.134","0.144","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012479","9.1705","0.001","13.4357","0.0015","15.603","0.0017","69.245","0.01","88.342","0.01","74.358","0.01","1726.4","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","(Z)-2-methylbut-1-en-1-yl-(3,5-dichlorophenyl)iodonium trifluoromethanesulfonate","","- C12 H12 Cl2 F3 I O3 S -","- C12 H12 Cl2 F3 I O3 S -","- C48 H48 Cl8 F12 I4 O12 S4 -","4","2","BK1616","Hinkle, Robert J.; McDonald, Robert","(<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety","Acta Crystallographica Section C","2002","58","2","o117","o121","10.1107/S0108270101019084","","","0.71073","MoKα","","0.104","0.059","","","0.133","0.152","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012480","12.5807","0.0013","13.2381","0.0014","13.6567","0.0014","81.854","0.01","72.429","0.01","79.851","0.01","2124.9","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","bis{(Z)-2-methylbut-1-en-1-yl-[3,5-bis(trifluoromethyl)phenyl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate","","- C29 H26 Cl2 F18 I2 O6 S2 -","- C29 H26 Cl2 F18 I2 O6 S2 -","- C58 H52 Cl4 F36 I4 O12 S4 -","2","1","BK1616","Hinkle, Robert J.; McDonald, Robert","(<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety","Acta Crystallographica Section C","2002","58","2","o117","o121","10.1107/S0108270101019084","","","0.71073","MoKα","","0.043","0.032","","","0.074","0.078","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012481","12.731","0.003","4.216","0.0008","26.64","0.005","90","","96.87","0.03","90","","1419.6","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(9-ethyl-9H-carbazol-3-ylmethylene)malononitrile","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","BM1472","Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.","Three polar derivatives of <i>N</i>-ethylcarbazole: materials for optical applications","Acta Crystallographica Section C","2002","58","2","o72","o75","10.1107/S0108270101020170","","","0.71073","MoKα","","0.125","0.062","","","0.131","0.156","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012482","8.437","0.0017","8.75","0.0017","12.3","0.003","79.82","0.03","76.82","0.03","63.76","0.03","790","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C36 H30 N6 S2 -","2","1","BM1472","Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.","Three polar derivatives of <i>N</i>-ethylcarbazole: materials for optical applications","Acta Crystallographica Section C","2002","58","2","o72","o75","10.1107/S0108270101020170","","","0.71073","MoKα","","0.051","0.039","","","0.106","0.114","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012483","19.384","0.005","16.456","0.004","6.5323","0.0017","90","","95.637","0.019","90","","2073.6","0.9","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(9-ethyl-9H-carbazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile","","- C26 H19 N3 S -","- C26 H19 N3 S -","- C104 H76 N12 S4 -","4","1","BM1472","Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.","Three polar derivatives of <i>N</i>-ethylcarbazole: materials for optical applications","Acta Crystallographica Section C","2002","58","2","o72","o75","10.1107/S0108270101020170","","","0.71073","MoKα","","0.082","0.043","","","0.107","0.112","","","","","","0.917","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012484","26.454","0.003","14.499","0.003","14.517","0.003","90","","120.276","0.01","90","","4808.6","1.6","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Co(dtc)~2~{P(OMe)~2~Ph}]~2~(PF~6~)~2~","Bis[bis(dimethyldithiocarbamato)(dimethylphenylphosphonito)cobalt(III)] Bis(hexafluorophosphate)","","- C28 H46 Co2 F12 N4 O4 P4 S8 -","- C28 H46 Co2 F12 N4 O4 P4 S8 -","- C112 H184 Co8 F48 N16 O16 P16 S32 -","4","0.5","BM1475","Suzuki, Takayoshi; Takagi, Hideo D.; Kashiwabara, Kazuo","Bis(μ-<i>N,N</i>-dimethyldithiocarbamato-κ^3^<i>S,S</i>':<i>S</i>')bis[(dimethoxyphenylphosphane-κ<i>P</i>)(<i>N,N</i>-dimethyldithiocarbamato-κ^2^<i>S,S</i>')cobalt(III)] bis(hexafluorophosphate)","Acta Crystallographica Section C","2002","58","2","m95","m97","10.1107/S0108270101018406","","","0.71069","MoKα","","0.1298","0.0469","","","0.1377","0.1643","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012485","18.6227","0.0001","14.2708","0.0001","17.5255","0.0001","90","","91.65","0.001","90","","4655.66","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[tetrakis(1-methylimidazole-κN^3^)copper(II)]-μ^2^-sulfato-O:O'] acetonitrile hemisolvate sesquihydrate]","","- C17 H28.5 Cu N8.5 O5.5 S -","- C17 H28.5 Cu N8.5 O5.5 S -","- C136 H228 Cu8 N68 O44 S8 -","8","2","BM1479","Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Carabel, Maximiliano; García-Vázquez, José Arturo","<i>catena</i>-Poly[[[tetrakis(1-methylimidazole-κ<i>N</i>^3^)copper(II)]-μ^2^-sulfato-κ^2^<i>O</i>:<i>O</i>'] acetonitrile hemisolvate sesquihydrate]","Acta Crystallographica Section C","2002","58","2","m65","m67","10.1107/S0108270101019825","","","0.71073","MoKα","","0.042","0.032","","","0.073","0.077","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012486","9.086","0.0004","13.055","0.0006","17.7367","0.0006","90","","90.084","0.003","90","","2103.88","0.15","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","triacetone amine monohydrate","2,2,6,6-tetramethylpiperidin-4-one monohydrate","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C72 H152 N8 O16 -","8","2","BM1480","Bond, Andrew D.","Redetermination of the twinned structure of triacetone amine monohydrate","Acta Crystallographica Section C","2002","58","2","o115","o116","10.1107/S0108270101021527","","","0.7107","MoKα","","0.075","0.053","","","0.126","0.139","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012487","8.9927","0.0012","9.4979","0.0013","13.0245","0.0014","72.44","0.002","69.285","0.003","73.023","0.003","970.4","0.2","301","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cl4 Cu2 Hg2 N4 O4 -","- C36 H36 Cl4 Cu2 Hg2 N4 O4 -","- C36 H36 Cl4 Cu2 Hg2 N4 O4 -","1","0.5","BR1346","Ercan, Ismail; Ercan, Filiz; Arici, Cengiz; Atakol, Orhan","Bis{[μ-<i>N,N</i>'-bis(salicylidene)-1,4-butanediamine-<i>N,N</i>',<i>O,O</i>'-copper(II)]-μ-chloro-chloromercury(II)}","Acta Crystallographica Section C","2002","58","2","m137","m138","10.1107/S0108270101019709","","","0.71073","MoKα","","","0.057","","","","0.1487","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012488","6.505","0.002","7.201","0.003","7.605","0.003","91.82","0.03","92.17","0.03","111.33","0.03","331.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dilead mercury chromate(VI)","","- Cr Hg O6 Pb2 -","- Cr Hg O6 Pb2 -","- Cr2 Hg2 O12 Pb4 -","2","1","BR1350","Klein, W.; Curda, J.; Friese, K.; Jansen, M.","Dilead mercury chromate(VI), Pb~2~HgCrO~6~","Acta Crystallographica Section C","2002","58","2","i23","i24","10.1107/S010827010102087X","","","0.71069","MoKα","","0.053","0.049","","","0.123","0.127","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012489","11.405","0.011","21.545","0.005","28.893","0.016","90","","97.73","0.06","90","","7035","8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Propylamino-2,6-propylepimino-2,4,4,8,8-pentakis(pyrrolidin-1-yl)- 1,3,5,7,2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraazatetraphosphorocine","","- C26 H55 N11 P4 -","- C26 H55 N11 P4 -","- C208 H440 N88 P32 -","8","2","DA1202","Işıklan, Muhammed; Kılıç, Zeynel","6-Propylamino-2,6-propylepimino-2,4,4,8,8-pentakis(pyrrolidin-1-yl)-1,3,5,7,2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraazatetraphosphorocine","Acta Crystallographica Section C","2002","58","2","o80","o83","10.1107/S0108270101019151","","","0.71073","MoKα","","0.141","0.051","","","0.111","0.121","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012490","7.0052","0.0007","9.051","0.0009","14.021","0.002","103.51","0.005","98.776","0.005","91.83","0.004","852.15","0.17","180.2","","180.2","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H20 F Mo N O2 Si -","- C15 H20 F Mo N O2 Si -","- C30 H40 F2 Mo2 N2 O4 Si2 -","2","1","DA1210","Hayton, Trevor W.; Legzdins, Peter; Rettig, Steven J.","(η^5^-Cyclopentadienyl)(<i>p</i>-fluorophenoxo)(nitrosyl)(trimethylsilylmethyl)molybdenum(II)","Acta Crystallographica Section C","2002","58","2","m68","m69","10.1107/S0108270101019382","","","0.7107","MoKα","","0.0546","0.029","","0.0718","","0.0718","","","0.861","","","0.861","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012491","13.343","0.0003","5.756","0.0003","7.273","0.0006","90","","104.753","0.003","90","","540.17","0.05","100","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-5-thiolpyridine","","- C5 H6 N2 S -","- C5 H5 N2 S -","- C20 H20 N8 S4 -","4","1","DA1211","Sabino, J. R.; da Silva, C. H. T. P.; Yonashiro, M.","6-Aminopyridine-3-thiol","Acta Crystallographica Section C","2002","58","2","o78","o79","10.1107/S0108270101020352","","","0.71073","MoKα","","0.05","0.036","","","0.091","0.1","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012492","27.742","0.002","7.8344","0.0016","16.2658","0.0018","90","","125.679","0.005","90","","2871.7","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","fac-Re(CO)~3~(dpkO,OH)","fac-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^N,O,N')rhenium(I)","","- C14 H9 N2 O5 Re -","- C14 H9 N2 O5 Re -","- C112 H72 N16 O40 Re8 -","8","1","DA1212","Bakir, Mohammed","<i>fac</i>-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']rhenium(I)","Acta Crystallographica Section C","2002","58","2","m74","m76","10.1107/S0108270101019527","","","0.71073","MoKα","","0.032","0.029","","","0.09","0.093","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012493","18.8609","0.0003","15.4691","0.0004","11.601","0.0002","90","","123.145","0.009","90","","2834","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide- κ^6^N^1^,N^4^,N^8^,N^11^,O^1^,O^8^]copper(II) sulfate 4.5-hydrate","","- C18 H45 Cu N8 O12.5 S -","- C18 H45 Cu N8 O12.5 S -","- C72 H180 Cu4 N32 O50 S4 -","4","0.5","DN1005","Espinosa, Enrique; Meyer, Michel; Berard, David; Guilard, Roger","[(1,4,8,11-Tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide-κ^6^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^,<i>O</i>^1^,<i>O</i>^8^]copper(II) sulfate 4.5-hydrate","Acta Crystallographica Section C","2002","58","2","m119","m121","10.1107/S0108270101021060","","","0.71073","MoKα","","0.04","0.037","","","0.111","0.113","","","","","","1.093","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2012494","7.2389","0.0014","11.2125","0.0014","12.7427","0.0015","90","","90","","90","","1034.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1R,3S-camphoramic acid","3-aminocarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","FR1358","Nie, Jing-Jing; Xu, Duan-Jun; Hu, Zi-Qiang; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","(1<i>R</i>,3<i>S</i>)-Camphoramic acid","Acta Crystallographica Section C","2002","58","2","o106","o107","10.1107/S0108270101020819","","","0.71069","MoKα","","0.048","0.04","","0.116","","0.111","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012495","9.331","0.005","8.769","0.005","13.616","0.008","90","","92.29","0.016","90","","1113.2","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetylferrocene-1'-carboxylic acid","","- C13 H12 Fe O3 -","- C13 H12 Fe O3 -","- C52 H48 Fe4 O12 -","4","1","FR1360","Newman, Jacob M.; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A.","1'-Acetylferrocene-1-carboxylic acid: an instance of hydrogen bonding in the rare dimeric acid-to-ketone mode","Acta Crystallographica Section C","2002","58","2","m89","m91","10.1107/S0108270101021771","","","0.71073","MoKα","","0.07","0.042","","","0.085","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012496","5.9937","0.0004","11.9746","0.0006","15.734","0.001","75.604","0.005","79.802","0.006","86.418","0.005","1076.32","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Thienylmethylammonium trichlorostannate(II)","","- C5 H8 Cl3 N S Sn -","- C5 H8 Cl3 N S Sn -","- C20 H32 Cl12 N4 S4 Sn4 -","4","2","GD1180","Mercier, Nicolas; Seyeux, Antoine; Morel, Celine; Riou, Amedee","(2-Thienylmethyl)ammonium trichlorostannate(II): a hybrid salt","Acta Crystallographica Section C","2002","58","2","m127","m128","10.1107/S0108270101020856","","","0.71073","MoKα","","0.062","0.038","","","0.095","0.118","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012497","6.859","0.001","12.427","0.002","15.307","0.003","92.31","0.03","95.87","0.03","103.36","0.03","1260","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","melaminium acetate hydrate acetic acid solvate","2,4,6-triamino-1,3,5-triazine-1-ium acetate monohydrate acetic acid solvate","","- C7 H16 N6 O5 -","- C7 H16 N6 O5 -","- C28 H64 N24 O20 -","4","2","GD1181","Perpétuo, Genivaldo Julio; Janczak, Jan","Melaminium acetate acetic acid solvate monohydrate","Acta Crystallographica Section C","2002","58","2","o112","o114","10.1107/S0108270101021631","","","0.71073","MoKα","","0.094","0.037","","","0.045","0.057","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012498","8.466","0.0001","29.526","0.0003","14.1002","0.0001","90","","97.3941","0.0005","90","","3495.28","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-1κ^2^O,O':2(η^5^)-Cyclopentadienylcarboxylato- 2(η^5^)-diphenylphosphinocyclopentadienyl-bis[1,1(η^5^)- tetramethylcyclopentadienyl]iron(II)titanium(III)","","- C41 H44 Fe O2 P Ti -","- C41 H44 Fe O2 P Ti -","- C164 H176 Fe4 O8 P4 Ti4 -","4","1","GD1183","Mach, Karel; Kubišta, Jiří; Císařová, Ivana; Štěpnička, Petr","[μ-1κ^2^<i>O</i>,<i>O</i>':2(η^5^)-Cyclopentadienylcarboxylato][2(η^5^)-diphenylphosphinocyclopentadienyl]bis[1,1(η^5^)-tetramethylcyclopentadienyl]iron(II)titanium(III)","Acta Crystallographica Section C","2002","58","2","m116","m118","10.1107/S0108270101019370","","","0.71073","MoKα","","0.04","0.033","","","0.082","0.085","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012499","8.2189","0.0006","6.0621","0.0003","15.0977","0.001","90","","102.835","0.003","90","","733.43","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-trifluoromethylbenzonitrile","4-(trifluoromethyl)benzonitrile","","- C8 H4 F3 N -","- C8 H4 F3 N -","- C32 H16 F12 N4 -","4","1","GG1086","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","4-(Trifluoromethyl)benzonitrile","Acta Crystallographica Section C","2002","58","2","o66","o68","10.1107/S0108270101019540","","","0.71073","MoKα","","0.053","0.039","","","0.11","0.115","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012500","6.8807","0.0002","16.2254","0.0006","13.3379","0.0005","90","","111.28","0.002","90","","1387.54","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one","","- C16 H12 Br N3 O -","- C16 H12 Br N3 O -","- C64 H48 Br4 N12 O4 -","4","1","GG1087","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo","2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-<i>a</i>]benzimidazol-4(3<i>H</i>)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-<i>a</i>]benzimidazol-2(1<i>H</i>)-one form hydrogen-bonded base-paired dimers","Acta Crystallographica Section C","2002","58","2","o125","o128","10.1107/S0108270101021564","","","0.71073","MoKα","","0.06","0.043","","","0.104","0.114","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012501","8.136","0.0003","9.8647","0.0004","10.0975","0.0005","114.88","0.0013","94.9156","0.0015","100.966","0.003","709.18","0.05","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","4-(4-Methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C34 H30 N6 O2 -","2","1","GG1087","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo","2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-<i>a</i>]benzimidazol-4(3<i>H</i>)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-<i>a</i>]benzimidazol-2(1<i>H</i>)-one form hydrogen-bonded base-paired dimers","Acta Crystallographica Section C","2002","58","2","o125","o128","10.1107/S0108270101021564","","","0.71073","MoKα","","0.075","0.046","","","0.107","0.12","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012502","7.5297","0.001","23.628","0.003","9.2916","0.001","90","","104.175","0.01","90","","1602.8","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[dicyanamido(5,5'-dimethyl-2,2'-bipyridine-N,N')copper(II)]-μ- dicyanamido-N^1^:N^5^]","","- C16 H12 Cu N8 -","- C16 H12 Cu N8 -","- C64 H48 Cu4 N32 -","4","1","GG1091","Kooijman, Huub; Spek, Anthony L.; Albada, Gerard A. van; Reedijk, Jan","<i>catena</i>-Poly[[dicyanamido(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2002","58","2","m124","m126","10.1107/S0108270101021515","","","0.71073","MoKα","","0.034","0.027","","","0.07","0.073","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012503","4.3142","0.0007","22.141","0.004","6.4675","0.001","90","","105.441","0.011","90","","595.48","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B8 Bi2 O15 -","- B8 Bi2 O15 -","- B16 Bi4 O30 -","2","1","IZ1016","Teng, Bing; Yu, Wen Tao; Wang, Ji Yang; Cheng, Xiu Feng; Dong, Sheng Ming; Liu, Yao Gang","Bismuth octaborate, Bi~2~B~8~O~15~","Acta Crystallographica Section C","2002","58","2","i25","i26","10.1107/S0108270101019643","","","0.71073","MoKα","","0.0711","0.0697","","","0.1685","0.1706","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012504","9.7839","0.0005","20.7991","0.001","22.0788","0.0012","90","","99.172","0.006","90","","4435.5","0.4","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-bis(1,2,3,6-tetrahydro-1,3-dimethylpurine-2,6-dionato-κN^7^)bis (triphenylphosphine-κP)platinum(II)","","- C50 H44 N8 O4 P2 Pt -","- C50 H44 N8 O4 P2 Pt -","- C200 H176 N32 O16 P8 Pt4 -","4","1","JZ1480","Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain","Platinum complexes of oxopurines: <i>cis</i>-bis(theophyllinato-<i>N</i>^7^)bis(triphenylphosphine)platinum(II) and <i>cis</i>-chloro(theobrominato-<i>N</i>^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate","Acta Crystallographica Section C","2002","58","2","m111","m115","10.1107/S0108270101020364","","","0.71073","MoKα","","0.058","0.034","","","0.08","0.084","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012505","11.4777","0.0009","19.3276","0.0013","20.5946","0.0017","62.565","0.008","81.354","0.01","89.019","0.009","4001.7","0.6","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","cis-chloro(1,2,3,6-tetrahydro-3,7-dimethylpurine-2,6-dionato-κN^1^)bis (triphenylphosphine-κP)platinum(II) ethanol hemisolvate","","- C44 H40 Cl N4 O2.5 P2 Pt -","- C44 H40 Cl N4 O2.5 P2 Pt -","- C176 H160 Cl4 N16 O10 P8 Pt4 -","4","2","JZ1480","Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain","Platinum complexes of oxopurines: <i>cis</i>-bis(theophyllinato-<i>N</i>^7^)bis(triphenylphosphine)platinum(II) and <i>cis</i>-chloro(theobrominato-<i>N</i>^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate","Acta Crystallographica Section C","2002","58","2","m111","m115","10.1107/S0108270101020364","","","0.71073","MoKα","","0.1186","0.042","","","0.079","0.092","","","","","","0.689","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012506","7.2419","0.0005","9.7619","0.0008","17.7469","0.0016","90","","90","","90","","1254.61","0.18","180","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl2 O3 -","- C11 H16 Cl2 O3 -","- C44 H64 Cl8 O12 -","4","1","JZ1483","Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude","Stereochemistry of two new polyfunctionalized <i>gem</i>-dihalocyclopropanes","Acta Crystallographica Section C","2002","58","2","o90","o93","10.1107/S0108270101019680","","","0.71073","MoKα","","0.0277","0.0237","","","0.0576","0.059","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012507","7.4006","0.0005","9.7511","0.001","18.0171","0.0013","90","","90","","90","","1300.19","0.19","180","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br2 O3 -","- C11 H16 Br2 O3 -","- C44 H64 Br8 O12 -","4","1","JZ1483","Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude","Stereochemistry of two new polyfunctionalized <i>gem</i>-dihalocyclopropanes","Acta Crystallographica Section C","2002","58","2","o90","o93","10.1107/S0108270101019680","","","0.71073","MoKα","","0.0465","0.037","","","0.0869","0.0956","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012508","22.994","0.003","7.185","0.001","16.806","0.003","90","","98.86","0.01","90","","2743.4","0.7","293","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H34 F12 N6 Ni2 O8 P2 -","- C10 H34 F12 N6 Ni2 O8 P2 -","- C40 H136 F48 N24 Ni8 O32 P8 -","4","0.5","LN1124","Muga, Iñaki; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Guzmán-Miralles, Carmen; Román, Pascual","(μ-Oxalato-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis[aqua(diethylenetriamine)nickel(II)] bis(hexafluorophosphate) dihydrate","Acta Crystallographica Section C","2002","58","2","m81","m83","10.1107/S0108270101019072","","","0.71073","MoKα","","0.0716","0.061","","","","0.1905","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012509","6.203","0.001","7.259","0.001","22.657","0.005","90","","90","","90","","1020.2","0.3","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Methyl 3-(4-methoxyphenyl)propenoate","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","NA1531","Bujak, Maciej; Zaleski, Jacek; Prezhdo, Victor; Uspenskiy, Boris","Methyl 3-(4-methoxyphenyl)prop-2-enoate","Acta Crystallographica Section C","2002","58","2","o76","o77","10.1107/S0108270101019539","","","0.71073","MoKα","","0.059","0.042","","","0.109","0.119","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012510","8.657","0.002","10.352","0.002","12.859","0.003","104.81","0.01","93.08","0.02","111.21","0.02","1024.9","0.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","[(4RS,5RS)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiaza- phosphol-2-yl]diethylamine","","- C12 H20 F6 N3 O4 P S2 -","- C12 H20 F6 N3 O4 P S2 -","- C24 H40 F12 N6 O8 P2 S4 -","2","1","NA1537","Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.","New electron-deficient chiral phosphines: (4<i>R</i>,5<i>R</i>)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines","Acta Crystallographica Section C","2002","58","2","o108","o111","10.1107/S0108270101018200","","","0.71073","MoKα","","0.044","0.044","","0.063","","0.063","","","1.953","","","1.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012511","8.972","0.002","9.116","0.006","12.99","0.007","97.4","0.04","104.03","0.04","60.58","0.04","897.8","0.9","293","","293","","","","","","","","","7","P -1","-P 1","2","","[(4RS,5RS)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiaza- phosphol-2-yl]dimethylamine","","- C10 H16 F6 N3 O4 P S2 -","- C10 H16 F6 N3 O4 P S2 -","- C20 H32 F12 N6 O8 P2 S4 -","2","1","NA1537","Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.","New electron-deficient chiral phosphines: (4<i>R</i>,5<i>R</i>)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines","Acta Crystallographica Section C","2002","58","2","o108","o111","10.1107/S0108270101018200","","","0.71073","MoKα","","0.049","0.049","","0.07","","0.07","","","1.908","","","1.908","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012512","8.812","0.004","13.897","0.003","14.728","0.006","90","","90.21","0.03","90","","1803.6","1.2","293","","293","","","","","","","","","8","P 1 21 1","P 2yb","4","","bis[(4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2- benzodiazaphosphol-2-yl]methylamine chloroform solvate","","- C17.98 H23.98 Cl2.95 F12 N5 O8 P2 S4 -","- C17.983 H23 Cl2.948 F12 N5 O8 P2 S4 -","- C35.966 H46 Cl5.896 F24 N10 O16 P4 S8 -","2","1","NA1537","Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.","New electron-deficient chiral phosphines: (4<i>R</i>,5<i>R</i>)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines","Acta Crystallographica Section C","2002","58","2","o108","o111","10.1107/S0108270101018200","","","0.71073","MoKα","","0.086","0.086","","0.051","","0.051","","","1.878","","","1.878","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012513","12.99","0.002","6.092","0.003","14.528","0.002","90","","98.55","0.02","90","","1136.9","0.6","180","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-Dimenthyl malonate","Bis(2-isopropyl-5-methylcyclohex-1-yl) malonate","","- C23 H40 O4 -","- C23 H40 O4 -","- C46 H80 O8 -","2","1","NA1538","Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Yohannes, Yonas","(‒)-Dimenthyl malonate","Acta Crystallographica Section C","2002","58","2","o84","o85","10.1107/S0108270101019308","","","0.71069","MoKα","","","0.058","","","","0.163","","","","","","0.934","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012514","5.9588","0.0004","10.901","0.001","11.29","0.001","113.7","0.005","93.164","0.004","91.957","0.005","669.22","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","DISODIUM PAMIDRONATE","Disodium 3-ammonium-1-hydroxypropylidene-1,1-bisphosphonate pentahydrate","","- C3 H19 N Na2 O12 P2 -","- C3 H19 N Na2 O12 P2 -","- C6 H38 N2 Na4 O24 P4 -","2","1","NA1543","Vega, Daniel; Fernández, Daniel; Ellena, Javier A.","Disodium pamidronate","Acta Crystallographica Section C","2002","58","2","m77","m80","10.1107/S0108270101019655","","","0.7107","MoKα","","","0.0416","","","","0.1056","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012515","8.935","0.0004","9.1189","0.0003","13.469","0.0006","75.897","0.001","89.831","0.001","62.201","0.001","933.64","0.07","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","syn-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","NA1545","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1<i>H</i>-indole-3(2<i>H</i>),2'(2a'<i>H</i>)-oxeto[3,2-<i>b</i>]indole]","Acta Crystallographica Section C","2002","58","2","o59","o62","10.1107/S0108270101020820","","","0.71073","MoKα","","0.0917","0.0708","","","0.1653","0.1936","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012516","14.531","0.0002","8.7676","0.0001","30.0679","0.0001","90","","90","","90","","3830.71","0.07","183","2","183","2","","","","","","","","4","P n a 21","P 2c -2n","33","","anti-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C176 H144 N16 O48 -","8","2","NA1545","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1<i>H</i>-indole-3(2<i>H</i>),2'(2a'<i>H</i>)-oxeto[3,2-<i>b</i>]indole]","Acta Crystallographica Section C","2002","58","2","o59","o62","10.1107/S0108270101020820","","","0.71073","MoKα","","0.0616","0.0477","","","0.109","0.1146","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012517","12.587","0.003","25.762","0.009","13.24","0.013","90","","108.24","0.03","90","","4078","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-2-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^] bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate","","- C34 H60 Cl4 N6 O Rh2 -","- C34 H56 Cl4 N6 O Rh2 -","- C136 H224 Cl16 N24 O4 Rh8 -","4","0.5","OB1049","Esquius, Glòria; Pons, Josefina; Yáñez, Ramón; Ros, Josep; Solans, Xavier; Font-Bardia, Mercè","Bis[μ-4-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^]bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate","Acta Crystallographica Section C","2002","58","2","m133","m134","10.1107/S0108270101020017","","","0.71069","MoKα","","0.054","0.028","","","0.072","0.079","","","","","","0.978","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012518","14.6683","0.0003","6.9409","0.0001","13.5889","0.0001","90","","111.157","0.001","90","","1290.25","0.03","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(ethylenediamine)copper(II) bis(O,O'-diethyl dithiophosphato-S,S')","","- C12 H36 Cu N4 O4 P2 S4 -","- C12 H36 Cu N4 O4 P2 S4 -","- C24 H72 Cu2 N8 O8 P4 S8 -","2","0.5","OS1146","Fun, Hoong-Kun; Hao, Qingli; Ma, Haibo; Yang, Xujie; Lu, Lude; Wang, Xin; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Usman, Anwar","Bis(ethylenediamine)copper(II) bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphate)","Acta Crystallographica Section C","2002","58","2","m87","m88","10.1107/S0108270101020789","","","0.71073","MoKα","","0.0741","0.0452","","","0.0989","0.1059","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012519","8.059","0.001","12.116","0.001","24.744","0.002","90","","90","","90","","2416.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-phenoxy-4-pyridyl)methanesulfonamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C96 H96 N16 O24 S8 -","8","1","SK1503","Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Dogné, Jean-Michel; de Leval, Xavier; Norberg, Bernadette; Pirotte, Bernard; Durant, François","<i>N</i>-(3-Phenoxy-4-pyridinio)methanesulfonamidate","Acta Crystallographica Section C","2002","58","2","o88","o89","10.1107/S0108270101018595","","","1.54178","CuKα","","0.033","0.032","","","0.095","0.096","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012520","6.219","0.001","12.163","0.002","15.855","0.001","90","","91.13","0.01","90","","1199.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C48 H44 N12 O8 S4 -","4","1","SK1506","Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore","4-Methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole","Acta Crystallographica Section C","2002","58","2","o69","o71","10.1107/S0108270101017851","","","1.54178","CuKα","","0.0441","0.0377","","","0.1015","0.1062","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012521","14.738","0.001","5.75","0.001","15.898","0.001","90","","105.02","0.01","90","","1301.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","SK1506","Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore","4-Methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole","Acta Crystallographica Section C","2002","58","2","o69","o71","10.1107/S0108270101017851","","","1.54178","CuKα","","0.0455","0.0418","","","0.1314","0.1348","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012522","10.5692","0.0002","10.6982","0.0002","10.7687","0.0001","94.848","0.001","99.091","0.001","119.064","0.001","1032.43","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl (6aRS,8RS,12bRS)-6-oxo-8-phenyl-6a,7,8,12b-tetrahydro-6H-benzo[b]- naphtho[1,2-d]pyran-6a-carboxylate","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","1","SK1509","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhao, Bao-Guo; Xu, Jian-Hua","Ethyl (6a<i>RS</i>,8<i>RS</i>,12b<i>RS</i>)-6-oxo-8-phenyl-6a,7,8,12b-tetrahydro-6<i>H</i>-benzo[<i>b</i>]naphtho[1,2-<i>d</i>]pyran-6a-carboxylate","Acta Crystallographica Section C","2002","58","2","o57","o58","10.1107/S0108270101017164","","","0.71073","MoKα","","0.1117","0.0746","","","0.1751","0.2087","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012523","30.5212","0.0007","30.5212","0.0007","8.8689","0.0002","90","","90","","120","","7154.9","0.3","120","1","120","1","","","","","","","","3","R -3 :H","-R 3","148","","3-methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepine","","- C19 H18 N4 -","- C19 H18 N4 -","- C342 H324 N72 -","18","1","SK1526","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo","Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>][1,4]diazepines","Acta Crystallographica Section C","2002","58","2","o103","o105","10.1107/S0108270101020625","","","0.71073","MoKα","","0.0662","0.0497","","","0.1234","0.1334","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012524","9.0066","0.0018","17.969","0.004","18.007","0.004","115.73","0.03","101.02","0.03","98.83","0.03","2483","1.3","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","5-(4-Chlorophenyl)-3-methyl-1-phenyl-1,6,7,8- tetrahydropyrazolo[3,4-b][1,4]diazepine","","- C19 H17 Cl N4 -","- C19 H17 Cl N4 -","- C114 H102 Cl6 N24 -","6","3","SK1526","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo","Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>][1,4]diazepines","Acta Crystallographica Section C","2002","58","2","o103","o105","10.1107/S0108270101020625","","","0.71073","MoKα","","0.1207","0.0822","","","0.2064","0.2263","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012525","17.4665","0.0018","17.0031","0.0016","7.347","0.003","90","","94.566","0.018","90","","2175","0.9","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino- 9,10-dimethoxybenzo[a]quinolizine-water (2/5)","","- C23 H22 Cl N4 O4.5 -","- C23 H17 Cl N4 O2 -","- C92 H68 Cl4 N16 O8 -","4","1","SK1527","Linden, Anthony; Awad, Enas M.; Elwan, Nehal M.; Hassaneen, Hamdi M.; Heimgartner, Heinz","2-(4-Chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino-9,10-dimethoxybenzo[<i>a</i>]quinolizine‒water (2/5)","Acta Crystallographica Section C","2002","58","2","o122","o124","10.1107/S010827010102090X","","","0.71069","MoKα","","0.099","0.0511","","","0.1383","0.1513","","","","","","0.967","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2012526","9.0274","0.0004","6.5933","0.0004","13.117","0.0008","90","","90","","90","","780.73","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Trifluoromethyl-4-nitroaniline","","- C7 H5 F3 N2 O2 -","- C7 H5 F3 N2 O2 -","- C28 H20 F12 N8 O8 -","4","0.5","SK1528","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of <i>R</i>f̱{_4^4}(12) and <i>R</i>f̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline","Acta Crystallographica Section C","2002","58","2","o97","o99","10.1107/S0108270101021254","","","0.71073","MoKα","","0.061","0.041","","","0.105","0.118","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012527","7.1048","0.0002","15.3832","0.0005","14.3091","0.0006","90","","91.9102","0.0012","90","","1563.04","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Trifluoromethyl-4-nitroaniline","","- C7 H5 F3 N2 O2 -","- C7 H5 F3 N2 O2 -","- C56 H40 F24 N16 O16 -","8","2","SK1528","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of <i>R</i>f̱{_4^4}(12) and <i>R</i>f̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline","Acta Crystallographica Section C","2002","58","2","o97","o99","10.1107/S0108270101021254","","","0.71073","MoKα","","0.079","0.044","","","0.1","0.114","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012528","4.2494","0.0002","14.9094","0.0007","13.0958","0.0007","90","","96.138","0.002","90","","824.94","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-3-bromo-5-nitrobenzonitrile","","- C7 H4 Br N3 O2 -","- C7 H4 Br N3 O2 -","- C28 H16 Br4 N12 O8 -","4","1","SK1529","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating <i>R</i>f̱{_2^2}(12) and <i>R</i>f̱{_6^6}(36) rings in 2-bromo-6-cyano-4-nitroaniline","Acta Crystallographica Section C","2002","58","2","o100","o102","10.1107/S0108270101021485","","","0.71073","MoKα","","0.061","0.037","","","0.074","0.081","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012529","11.913","0.002","15.027","0.003","15.466","0.003","114.37","0.03","99","0.03","99.17","0.03","2412.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H97 Mo18 N4 Na7 O100 -","- C8 H8 Mo18 N4 Na7 O100 -","- C8 H8 Mo18 N4 Na7 O100 -","1","0.5","TA1340","Liu, Guang; Zhang, Shi-Wei","New girdle-like Mo~18~ polyanions linked into chains","Acta Crystallographica Section C","2002","58","2","m92","m94","10.1107/S0108270101017206","","","0.71073","MoKα","","0.0743","0.0559","","","0.1647","0.179","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012530","15.257","0.003","8.954","0.002","13.623","0.002","90","","102.71","0.02","90","","1815.5","0.6","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-4-tert-Butylcyclohexyl Picrate","cis-2-(4-tert-butylcyclohexyloxy)-1,3,5-trinitrobenzene","","- C16 H21 N3 O7 -","- C16 H21 N3 O7 -","- C64 H84 N12 O28 -","4","1","TA1354","Spiniello, Marisa; White, Jonathan M.","<i>cis</i>- and <i>trans</i>-2-(4-<i>tert</i>-Butylcyclohexyloxy)-1,3,5-trinitrobenzene","Acta Crystallographica Section C","2002","58","2","o94","o96","10.1107/S0108270101019400","","","0.71069","MoKα","","0.052","0.039","","","0.098","0.107","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012531","14.95","0.003","8.349","0.001","14.292","0.005","90","","94.22","0.03","90","","1779.1","0.8","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-4-tert-Butylcyclohexyl Picrate","trans-2-(4-tert-butylcyclohexyloxy)-1,3,5-trinitrobenzene","","- C16 H21 N3 O7 -","- C16 H21 N3 O7 -","- C64 H84 N12 O28 -","4","1","TA1354","Spiniello, Marisa; White, Jonathan M.","<i>cis</i>- and <i>trans</i>-2-(4-<i>tert</i>-Butylcyclohexyloxy)-1,3,5-trinitrobenzene","Acta Crystallographica Section C","2002","58","2","o94","o96","10.1107/S0108270101019400","","","0.71069","MoKα","","0.085","0.047","","","0.097","0.112","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012532","8.5591","0.0002","10.6777","0.0002","17.6816","0.0004","90","","103.042","0.001","90","","1574.26","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis(isopropylthiomethyl)phenyl-κ^3^S,C^1^,S]bromopalladium(II)","","- C14 H21 Br Pd S2 -","- C14 H21 Br Pd S2 -","- C56 H84 Br4 Pd4 S8 -","4","1","TA1357","Bacsa, John; Moutloali, Richard M.; Darkwa, James","[2,6-Bis(isopropylthiomethyl)phenyl-κ^3^<i>S</i>,<i>C</i>^1^,<i>S</i>']bromopalladium(II)","Acta Crystallographica Section C","2002","58","2","m109","m110","10.1107/S0108270101020182","","","0.71073","MoKα","","0.03","0.024","","","0.05","0.052","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012533","14.3894","0.0008","15.9758","0.0007","16.0646","0.0009","61.128","0.003","70.648","0.002","83.316","0.003","3047","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis[1,1',2,2',3,3',4,4'-octamethyl-5-(2-pyridinio)-5'-(2-pyridyl)ferrocene] di-μ~3~-chloro-hexadeca-μ~2~-chloro-hexachlorodi-μ~4~-oxo-di-μ~3~-oxo- bis[(η^5^,κN)-1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadienyl] octauranium(IV) dichloromethane tetrasolvate","","- C88 H106 Cl32 Fe2 N6 O4 U8 -","- C88 H106 Cl32 Fe2 N6 O4 U8 -","- C88 H106 Cl32 Fe2 N6 O4 U8 -","1","0.5","TR1004","Moisan, Lionel; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel","An ion pair formed by protonated Fe(cp*py)~2~ and the octanuclear cluster U~8~Cl~24~O~4~(cp*py)~2~ [cp*py is tetramethyl-5-(2-pyridyl)cyclopentadiene]","Acta Crystallographica Section C","2002","58","2","m98","m101","10.1107/S0108270101020029","","","0.71073","MoKα","","0.069","0.044","","","0.088","0.097","","","","","","1.026","","","","has coordinates,has Fobs","202207","2020-10-21","18:00:00",""
"2012534","19.2564","0.0003","8.9478","0.0002","29.2379","0.0005","90","","92.9544","0.0007","90","","5031.06","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetra-n-butylammonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) at 150K","","- C38 H72 N2 S10 Zn -","- C38 H72 N2 S10 Zn -","- C152 H288 N8 S40 Zn4 -","4","0.5","TR1005","Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V.","Bis(tetra-<i>n</i>-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K)","Acta Crystallographica Section C","2002","58","2","m105","m108","10.1107/S0108270101018534","","","0.71073","MoKα","","0.1461","0.0489","","","0.1084","0.1322","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012535","10.3451","0.0005","15.0563","0.0007","18.8083","0.0008","73.072","0.001","85.867","0.001","72.259","0.001","2668.9","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II)","","- C54 H40 As2 S10 Zn -","- C54 H40 As2 S10 Zn -","- C108 H80 As4 S20 Zn2 -","2","1","TR1005","Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V.","Bis(tetra-<i>n</i>-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K)","Acta Crystallographica Section C","2002","58","2","m105","m108","10.1107/S0108270101018534","","","0.71073","MoKα","","0.064","0.0335","","","0.0613","0.0671","","","","","","0.858","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012536","7.5103","0.0004","10.3304","0.0005","12.1206","0.0006","71.358","0.001","84.252","0.001","73.612","0.001","854.78","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(trimethylenethiourea-S)antimony(III) chloride","","- C8 H16 Cl3 N4 S2 Sb -","- C8 H16 Cl3 N4 S2 Sb -","- C16 H32 Cl6 N8 S4 Sb2 -","2","1","TR1006","Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Keat, Goh Wooi","Dichlorobis(trimethylenethiourea-κ<i>S</i>)antimony(III) chloride","Acta Crystallographica Section C","2002","58","2","m122","m123","10.1107/S0108270101020911","","","0.71073","MoKα","","0.0647","0.058","","","0.1537","0.1578","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012537","8.4505","0.0017","9.955","0.002","12.172","0.002","90","","98.99","0.03","90","","1011.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate)","","- C8 H24 B2 F8 Pd S4 -","- C8 H24 B2 F8 Pd S4 -","- C16 H48 B4 F16 Pd2 S8 -","2","0.5","TR1008","Johansson, Maria H.; Oskarsson, Åke","Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κ<i>S</i>)palladium(II) bis(tetrafluoroborate)","Acta Crystallographica Section C","2002","58","2","m102","m104","10.1107/S0108270101019357","","","0.71073","MoKα","","0.061","0.044","","","0.115","0.127","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012538","8.8804","0.0018","9.5397","0.0019","9.6999","0.0019","94.11","0.03","114.12","0.03","111.79","0.03","671.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","tetrakis(1,4-oxathiane-S)palladium(II) bis(tetrafluoroborate)","","- C16 H32 B2 F8 O4 Pd S4 -","- C16 H32 B2 F8 O4 Pd S4 -","- C16 H32 B2 F8 O4 Pd S4 -","1","0.5","TR1008","Johansson, Maria H.; Oskarsson, Åke","Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κ<i>S</i>)palladium(II) bis(tetrafluoroborate)","Acta Crystallographica Section C","2002","58","2","m102","m104","10.1107/S0108270101019357","","","0.71073","MoKα","","0.109","0.08","","","0.188","0.203","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012539","12.494","0.0001","12.08","0.0003","7.16","0.0003","90","","105.264","0.001","90","","1042.52","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate","","- C7 H8 N Na O7 S -","- C7 H8 N Na O7 S -","- C28 H32 N4 Na4 O28 S4 -","4","1","AV1096","Chruszcz, Maksymilian; Lewinski, Krzysztof; sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate","The sodium salt of 2-hydroxy-5-nitrobenzylsulfonic acid","Acta Crystallographica Section C","2002","58","3","m150","m151","10.1107/S0108270102000069","","","0.71073","MoKα","","0.042","0.035","","","0.09","0.094","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012540","6.957","0.002","12.035","0.003","19.95","0.006","90","","90.1","0.006","90","","1670.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","16,16-dimethyl-D-homo-19,B-dinor-8,10-isotestosterone","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","AV1099","Egorov, Maxim Sergeevitch; Starova, Galina Leonidovna; Shavva, Alexandr Grigorievitch","Steroid 19,<i>B</i>-dinor-8,10-iso-analogues","Acta Crystallographica Section C","2002","58","3","o170","o171","10.1107/S0108270102001002","","","0.71073","MoKα","","0.103","0.061","","","0.141","0.164","","","","","","0.909","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012541","8.8785","0.0003","14.9833","0.0006","12.5835","0.0005","90","","102.065","0.002","90","","1637","0.11","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 I3 O2 S2 Tl -","- C4 H12 I3 O2 S2 Tl -","- C16 H48 I12 O8 S8 Tl4 -","4","0.5","BJ1035","Ma, Guibin; Fischer, Andreas; Glaser, Julius","The trigonal‒bipyramidal triiodothallium(III) complex [TlI~3~{(CH~3~)~2~SO}~2~]","Acta Crystallographica Section C","2002","58","3","m177","m178","10.1107/S0108270101020649","","","0.71073","MoKα","","0.0444","0.0411","","","0.1015","0.1046","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012542","15.566","0.0001","12.664","0.0001","15.046","0.0002","90","","90.46","0.0006","90","","2965.89","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1-ethyl-3-methylimidazolium) hexachlorolanthanate","","- C18 H33 Cl6 La N6 -","- C18 H33 Cl6 La N6 -","- C72 H132 Cl24 La4 N24 -","4","1","BJ1036","Matsumoto, Kazuhiko; Tsuda, Tetsuya; Nohira, Toshiyuki; Hagiwara, Rika; Ito, Yasuhiko; Tamada, Osamu","Tris(1-ethyl-3-methylimidazolium) hexachlorolanthanate","Acta Crystallographica Section C","2002","58","3","m186","m187","10.1107/S0108270101020601","","","0.7107","MoKα","","0.0709","0.0479","","","0.0707","0.0861","","","","","","1.383","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012543","17.055","0.002","16.642","0.004","15.302","0.002","90","","119.13","0.01","90","","3793.8","1.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[di-μ-chloro-bis[(triphenylphosphine)silver(I)]]-μ- 2-aminopyrimidine-κ^2^N^1^:N^3^]","","- C40 H35 Ag2 Cl2 N3 P2 -","- C40 H35 Ag2 Cl2 N3 P2 -","- C160 H140 Ag8 Cl8 N12 P8 -","4","0.5","BJ1037","Jin, Qiong-Hua; Xin, Xiu-Lan; Ci, Xiao-Yan; Yu, Kai-Bei","<i>catena</i>-Poly[[di-μ-chloro-bis[(triphenylphosphine)silver(I)]]-μ-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2002","58","3","m174","m176","10.1107/S0108270102001518","","","0.71073","MoKα","","0.035","0.025","","","0.056","0.058","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012544","10.178","0.0014","10.178","0.0014","8.098","0.0016","90","","90","","120","","726.5","0.2","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","hexakis(pyrazole-N^2^)copper(II) bis(hexafluoroarsenate)","","- C18 H24 As2 Cu F12 N12 -","- C18 H24 As2 Cu F12 N12 -","- C18 H24 As2 Cu F12 N12 -","1","0.166667","BJ1038","Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean","A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry","Acta Crystallographica Section C","2002","58","3","m182","m185","10.1107/S010827010200152X","","","0.71073","MoKα","","0.045","0.036","","","0.093","0.097","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012545","9.995","0.001","9.995","0.001","8.052","0.001","90","","90","","120","","696.63","0.13","173","2","173","2","","","","","","","","8","P -3","-P 3","147","","hexakis(pyrazole-N^2^)copper(II) hexafluorophosphate perchlorate","","- C18 H24 Cl0.714 Cu F7.716 N12 O2.86 P1.29 -","- C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286 -","- C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286 -","1","0.166667","BJ1038","Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean","A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry","Acta Crystallographica Section C","2002","58","3","m182","m185","10.1107/S010827010200152X","","","0.71073","MoKα","","0.043","0.037","","","0.092","0.096","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012546","9.367","0.002","7.5127","0.0015","36.857","0.007","90","","93.184","0.009","90","","2589.7","0.9","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","stigmasterol hemihydrate","stigmasta-5,22-dien-3β-ol hemihydrate","","- C29 H49 O1.5 -","- C29 H49 O1.5 -","- C116 H196 O6 -","4","2","BK1624","Benavides, Gloria A.; Fronczek, Frank R.; Fischer, Nikolaus H.","Stigmasterol hemihydrate","Acta Crystallographica Section C","2002","58","3","o131","o132","10.1107/S0108270102000434","","","0.71073","MoKα","","0.09","0.059","","","0.136","0.156","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012547","8.931","0.002","12.338","0.002","17.779","0.003","90","","90","","90","","1959.1","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ginkgolide A monohydrate","(1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3- (1,1dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-9H-1,7a- (epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3b]furo[3',2':3,4] cyclopenta[1,2-d]furan-5,9,12(4H)-trione monohydrate","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","1","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.036","0.032","","","0.08","0.083","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012548","7.4945","0.0015","12.973","0.003","20.934","0.004","90","","91","0.02","90","","2035","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","ginkgolide C sesquihydrate","(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR) 3-(1,1-dimethylethyl) hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H,6aH- cyclopenta[c]furo[2,3b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12 (4H)-trione sesquihydrate","","- C20 H27 O12.5 -","- C20 H24 O12.5 -","- C80 H96 O50 -","4","2","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.033","0.031","","","0.084","0.086","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012549","11.403","0.002","12.95","0.003","13.646","0.003","90","","90","","90","","2015.1","0.7","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ginkgolide J dihydrate","(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3-(1,1-dimethylethyl) hexahydro-2,4,7b-trihydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H, 6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d] furan-5,9,12(4H)-trione dihydrate","","- C20 H28 O12 -","- C20 H28 O12 -","- C80 H112 O48 -","4","1","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.031","0.029","","","0.073","0.074","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012550","33.132","0.006","9.9664","0.0018","27.505","0.005","90","","105.331","0.004","90","","8759","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Butyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3- (2,4,6-trimethylphenyl)-isoxazole","","- C22 H32 B N O3 -","- C22 H32 B N O3 -","- C352 H512 B16 N16 O48 -","16","2","BM1469","Harrity, Joseph P. A.; Adams, Harry; Davies, Mark W.; Wybrow, Robert A.J.; Johnson, Christopher N.","5-Butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,4,6-trimethylphenyl)isoxazole","Acta Crystallographica Section C","2002","58","3","o168","o169","10.1107/S0108270101017942","","","0.71073","MoKα","","0.1812","0.0631","","","0.1283","0.1721","","","","","","0.85","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012551","5.852","0.0012","12.897","0.003","16.801","0.003","90","","90.87","0.03","90","","1267.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua[bis(pyrimidin-2-yl-κN)amine](carbonato-κ^2^O,O')copper(II) dihydrate","","- C9 H13 Cu N5 O6 -","- C9 H13 Cu N5 O6 -","- C36 H52 Cu4 N20 O24 -","4","1","BM1478","Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Aqua[bis(pyrimidin-2-yl-κ<i>N</i>)amine](carbonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section C","2002","58","3","m179","m181","10.1107/S0108270102000860","","","1.54178","CuKα","","0.037","0.036","","","0.101","0.103","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012552","12.5056","0.0014","13.3082","0.0016","12.9491","0.0014","90","","117.695","0.002","90","","1908.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate. methyl-5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate co-crystal (1/1)","","- C38 H46 N6 O10 -","- C38 H46 N6 O10 -","- C76 H92 N12 O20 -","2","1","BM1481","Pilati, Tullio; Casalone, Gianluigi","The diastereoisomers methyl 5-(<i>S</i>)-[2-(<i>R</i>)/(<i>S</i>)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","Acta Crystallographica Section C","2002","58","3","o178","o180","10.1107/S0108270101021552","","","0.71069","MoKα","","0.05","0.039","","","0.095","0.101","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012553","6.9782","0.0009","17.56","0.02","7.7576","0.001","90","","103.884","0.005","90","","922.8","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C38 H46 N6 O10 -","2","1","BM1481","Pilati, Tullio; Casalone, Gianluigi","The diastereoisomers methyl 5-(<i>S</i>)-[2-(<i>R</i>)/(<i>S</i>)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","Acta Crystallographica Section C","2002","58","3","o178","o180","10.1107/S0108270101021552","","","0.71069","MoKα","","0.039","0.029","","","0.059","0.061","","","","","","0.844","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012554","7.0305","0.0012","7.686","0.002","18.951","0.004","90","","93.69","0.02","90","","1021.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5NBD","4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazole","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C40 H40 N16 O12 -","4","1","BM1482","Saha, Satyen","4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores","Acta Crystallographica Section C","2002","58","3","o174","o177","10.1107/S0108270102000173","","","0.71073","MoKα","","0.084","0.04","","","0.098","0.13","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012555","6.7644","0.0019","21.277","0.006","7.788","0.006","90","","94.22","0.05","90","","1117.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6NBD","4-nitro-7-(piperidin-1-yl)-2,1,3-benzoxadiazole","","- C11 H12 N4 O3 -","- C11 H12 N4 O3 -","- C44 H48 N16 O12 -","4","1","BM1482","Saha, Satyen","4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores","Acta Crystallographica Section C","2002","58","3","o174","o177","10.1107/S0108270102000173","","","0.71073","MoKα","","0.191","0.069","","","0.146","0.224","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012556","7.4909","0.0016","10.8002","0.0014","15.1001","0.0019","90","","98.958","0.014","90","","1206.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7NBD","4-(azepan-1-yl)-7-nitro-2,1,3-benzoxadiazole","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C48 H56 N16 O12 -","4","1","BM1482","Saha, Satyen","4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores","Acta Crystallographica Section C","2002","58","3","o174","o177","10.1107/S0108270102000173","","","0.71073","MoKα","","0.106","0.051","","","0.125","0.174","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012557","11.0778","0.0011","17.535","0.002","15.4159","0.0018","90","","98.722","0.008","90","","2959.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorobis(triphenylphosphine)nickel(I)","","- C36 H30 Cl Ni P2 -","- C36 H30 Cl Ni P2 -","- C144 H120 Cl4 Ni4 P8 -","4","1","BM1484","Norman, Nicholas C.; Orpen, A Guy.; Quayle, Michael J.; Whittell, George R.","Chlorobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2002","58","3","m160","m161","10.1107/S010827010200032X","","","0.71073","MoKα","","0.0513","0.0306","","","0.066","0.0716","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012558","6.157","0.0012","12.308","0.003","7.561","0.0015","90","","97.74","0.03","90","","567.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rubidium manganese hexathiodiphosphate","","- Mn P2 Rb2 S6 -","- Mn P2 Rb2 S6 -","- Mn2 P4 Rb4 S12 -","2","0.5","BR1335","Taylor, Stephen P.; Krawiec, Mariusz; Hwu, Shiou-Jyh","High-temperature synthesis of Rb~2~MnP~2~S~6~ in molten salt medium","Acta Crystallographica Section C","2002","58","3","i27","i28","10.1107/S0108270101018017","","","0.71073","MoKα","","0.06","0.0549","","","0.1349","0.1369","","","","","","1.318","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012559","4.38088","0.00004","4.38088","0.00004","15.46525","0.00017","90","","90","","90","","296.811","0.005","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Caesium hydroxide monohydrate","","- Cs H3 O2 -","- Cs H3 O2 -","- Cs4 H12 O8 -","4","0.125","BR1352","Černý, Radovan; Favre-Nicolin, Vincent; Bertheville, Bernard","A tetragonal polymorph of caesium hydroxide monohydrate, CsOH·H~2~O, from X-ray powder data","Acta Crystallographica Section C","2002","58","3","i31","i32","10.1107/S0108270101021928","","","0.48562","synchrotron","","","","","","","","","","2.28","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012560","7.2621","0.0006","7.2621","0.0006","10.4415","0.0009","90","","90","","120","","476.89","0.07","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","trimercury aluminium hydrogen hexafluoride dioxide","","- Al F6 H Hg3 O2 -","- Al F6 Hg3 O2 -","- Al3 F18 Hg9 O6 -","3","0.0833333","BR1353","Weil, Matthias","Hg~3~AlF~6~O~2~H, a structure with a short interpolyhedral O···O distance","Acta Crystallographica Section C","2002","58","3","i37","i39","10.1107/S0108270102000690","","","0.71073","MoKα","","0.014","0.014","","","0.027","0.027","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012561","9.635","0.0005","22.0785","0.0011","15.5217","0.0008","90","","91.818","0.001","90","","3300.2","0.3","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H42 Cl4 O7 S7 U -","- C14 H42 Cl4 O7 S7 U -","- C56 H168 Cl16 O28 S28 U4 -","4","1","DA1197","Warren J. Oldham; Brian L. Scott; Kent D. Abney; Wayne H. Smith; David A. Costa","Chloroheptakis(dimethyl sulfoxide)uranium(IV) trichloride","Acta Crystallographica Section C","2002","58","3","m139","m140","10.1107/S0108270101020492","","","0.71073","MoKα","","0.0291","0.0229","","","0.0532","0.0557","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012562","10.701","0.005","9.949","0.005","13.888","0.005","90","","90","","90","","1478.6","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2,4-dibromophenyl)triazene","","- C12 H7 Br4 N3 -","- C12 H7 Br4 N3 -","- C48 H28 Br16 N12 -","4","1","DA1213","Hörner, Manfredo; Casagrande, Ivan C.; Bordinhao, Jairo; Mössmer, Cäcilia M.","1,3-Bis(2,4-dibromophenyl)triazene","Acta Crystallographica Section C","2002","58","3","o193","o194","10.1107/S0108270102001683","","","0.71069","MoKα","","0.084","0.043","","","0.098","0.111","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012563","8.002","0.0001","13.304","0.0004","26.723","0.0006","83.427","0.002","85.045","0.001","74.051","0.001","2712.91","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[tetrakis(decanoato-κ^2^O:O')diruthenium(II,III)(Ru-Ru)]- μ-octanesulfonato-κ^2^-O:O']","","- C48 H93 O11 Ru2 S -","- C48 H93 O11 Ru2 S -","- C96 H186 O22 Ru4 S2 -","2","1","DA1217","Zelcer, Andrés; Chaia, Zulema Débora; Cukiernik, Fabio D.; Catellano, Eduardo E.; Piro, Oscar E.","A liquid crystal derived from ruthenium(II,III) and a long-chain carboxylate","Acta Crystallographica Section C","2002","58","3","m144","m146","10.1107/S0108270101021540","","","0.71073","MoKα","","0.081","0.049","","","0.121","0.155","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012564","13.738","0.003","7.4751","0.0016","17.1566","0.0018","90","","110.117","0.013","90","","1654.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile","","- C20 H18 N2 O -","- C20 H18 N2 O1.013 -","- C80 H72 N8 O4.052 -","4","1","DE1177","Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.","1,3-Dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile","Acta Crystallographica Section C","2002","58","3","o191","o192","10.1107/S0108270102000185","","","1.5418","CuKα","","0.054","0.046","","","0.133","0.141","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012565","12.504","0.0007","7.517","0.0005","13.0894","0.0005","90","","113.237","0.003","90","","1130.5","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trichloro(N, N-dimethylbiguanidium)zinc(II)","Trichloro(1,1-dimethylbiguanidium-κN^3^)zinc(II)","","- C4 H12 Cl3 N5 Zn -","- C4 H12 Cl3 N5 Zn -","- C16 H48 Cl12 N20 Zn4 -","4","1","DE1178","Zhu, Miaoli; Lu, Liping; Jin, Xianglin; Yang, Pin","Trichloro(1,1-dimethylbiguanidium-κ<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","2002","58","3","m158","m159","10.1107/S0108270102000549","","","0.71073","MoKα","","0.031","0.022","","","0.046","0.048","","","","","","0.943","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012566","7.7638","0.001","8.4584","0.001","33.22","0.005","90","","90","","90","","2181.5","0.5","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C108 H116 N4 O8 -","4","1","DE1179","Vasuki, G; Parthasarathi, V; Ramamurthi, K; Jindal, D. P; Dubey, S","4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile","Acta Crystallographica Section C","2002","58","3","o162","o163","10.1107/S0108270102000197","","","1.5418","CuKα","","0.052","0.039","","","0.092","0.105","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012567","6.537","0.001","8.95","0.001","51.128","0.009","90","","90","","90","","2991.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-cyano-3,12-dioxooleana-1,9(11)-diene-28-oate","","- C33 H49 N O6 -","- C33 H49 N O6 -","- C132 H196 N4 O24 -","4","1","FR1352","Bore, Lothar; Honda, Tadashi; Gribble, Gordon W.; Lork, Enno; Jasinski, Jerry P.","The anti-inflammatory triterpenoid methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate methanol solvate hydrate","Acta Crystallographica Section C","2002","58","3","o199","o200","10.1107/S010827010102176X","","","0.71073","MoKα","","0.105","0.07","","","0.183","0.2112","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012568","6.3346","0.0017","10.758","0.003","11.012","0.003","90","","94.202","0.017","90","","748.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cyclohexanone-3-carboxylic acid","(±)-3-Oxocyclohexanecarboxylic acid","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","FR1356","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids","Acta Crystallographica Section C","2002","58","3","o154","o156","10.1107/S0108270101020595","","","0.71073","MoKα","","0.085","0.049","","","0.105","0.122","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012569","6.625","0.002","5.669","0.001","21.841","0.005","90","","90.33","0.02","90","","820.3","0.3","241","2","241","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclohexanone-3-acetic acid","(±)-3-Oxocyclohexaneacetic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","FR1356","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids","Acta Crystallographica Section C","2002","58","3","o154","o156","10.1107/S0108270101020595","","","0.71073","MoKα","","0.085","0.054","","","0.126","0.143","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012570","7.3355","0.0003","9.4033","0.0004","14.1728","0.0007","90","","90","","90","","977.61","0.08","173","2","173","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate","","- C15 H16 Cl4 N3 Nb O -","- C15 H16 Cl4 N3 Nb O -","- C30 H32 Cl8 N6 Nb2 O2 -","2","0.5","FR1359","Guzei, Ilia A.; Roberts, John; Saulys, Dovas A.","Pseudosymmetry in pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate","Acta Crystallographica Section C","2002","58","3","m141","m143","10.1107/S0108270101021886","","","0.71073","MoKα","","0.02","0.02","","","0.054","0.054","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012571","11.678","0.003","11.678","0.002","8.6608","0.0012","90","","90","","90","","1181.1","0.4","293","2","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 N2 Ni O4 -","- C12 H8 N2 Ni O4 -","- C48 H32 N8 Ni4 O16 -","4","0.5","FR1362","Lu, Tong-Bu; Luck, Rudy L.","Interpenetrating nets in <i>cis</i>-bis(pyridine-4-carboxylate)nickel(II)","Acta Crystallographica Section C","2002","58","3","m152","m154","10.1107/S0108270102000859","","","0.71069","MoKα","","","0.029","","","","0.092","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012572","13.393","0.003","9.233","0.002","14.162","0.003","90","","91.81","0.03","90","","1750.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylphenyl 2-methoxyacridine-9-carboxylate","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","GD1177","Meszko, Joanna; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Methylphenyl 2-methoxyacridine-9-carboxylate","Acta Crystallographica Section C","2002","58","3","o157","o158","10.1107/S0108270102000574","","","0.71073","MoKα","","0.096","0.053","","","0.129","0.153","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012573","7.2398","0.0011","8.6611","0.0012","11.0585","0.0018","107.84","0.012","106.719","0.013","97.729","0.011","613.04","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-1,3-thiazole","","- C11 H11 Cl N2 O2 S -","- C11 H11 Cl N2 O2 S -","- C22 H22 Cl2 N4 O4 S2 -","2","1","GD1182","Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco","Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds","Acta Crystallographica Section C","2002","58","3","o151","o153","10.1107/S0108270102000598","","","0.71073","MoKα","","0.089","0.051","","","0.098","0.113","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012574","7.3379","0.0009","19.242","0.002","8.7798","0.0008","90","","93.738","0.009","90","","1237","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-1,3-thiazole","","- C12 H12 Cl N O2 S -","- C12 H12 Cl N O2 S -","- C48 H48 Cl4 N4 O8 S4 -","4","1","GD1182","Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco","Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds","Acta Crystallographica Section C","2002","58","3","o151","o153","10.1107/S0108270102000598","","","0.71073","MoKα","","0.056","0.041","","","0.108","0.119","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012575","4.4432","0.0002","14.8002","0.0007","9.5955","0.0005","90","","94.072","0.001","90","","629.41","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium manganese diselenite","","- Mn O6 Se2 Sr -","- Mn O6 Se2 Sr -","- Mn4 O24 Se8 Sr4 -","4","1","GD1190","Johnston, Magnus G.; Harrison, William T. A.","Strontium manganese diselenite, SrMn(SeO~3~)~2~, containing unusual MnO~5+1~ polyhedra","Acta Crystallographica Section C","2002","58","3","i33","i34","10.1107/S0108270102001208","","","0.71073","MoKα","","0.046","0.036","","","0.087","0.09","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012576","11.9085","0.0015","5.5168","0.0007","12.2376","0.0015","90","","94.67","0.03","90","","801.3","0.18","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Trifluoromethylphenylacetonitrile","[4-(trifluoromethyl)phenyl]acetonitrile","","- C9 H6 F3 N -","- C9 H6 F3 N -","- C36 H24 F12 N4 -","4","1","GG1095","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","[4-(Trifluoromethyl)phenyl]acetonitrile","Acta Crystallographica Section C","2002","58","3","o145","o147","10.1107/S0108270102000707","","","0.71073","MoKα","","0.0556","0.0439","","","0.1187","0.1248","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012577","13.0928","0.0002","12.6946","0.0002","13.2335","0.0002","90","","90","","90","","2199.51","0.06","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(chloromethyl)phosphonium chloride monohydrate","","- C4 H10 Cl5 O P -","- C4 H10 Cl5 O P -","- C32 H80 Cl40 O8 P8 -","8","1","GG1097","Weisbarth, Ralf; Jansen, Martin","Tetrakis(chloromethyl)phosphonium chloride monohydrate","Acta Crystallographica Section C","2002","58","3","o189","o190","10.1107/S0108270102001543","","","0.71073","MoKα","","0.031","0.026","","","0.059","0.062","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012578","11.3791","0.0004","6.00794","0.00015","5.1456","0.0003","90","","113.202","0.003","90","","323.33","0.02","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","mercury(II) tungstate(VI)","","- Hg O4 W -","- Hg O4 W -","- Hg4 O16 W4 -","4","0.5","IZ1018","Åsberg Dahlborg, Magnus B.; Svensson, Göran","HgWO~4~ synthesized at high pressure and temperature","Acta Crystallographica Section C","2002","58","3","i35","i36","10.1107/S0108270102000379","","","0.71073","MoKα","","0.035","0.027","","","0.068","0.07","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012579","8.5397","0.0014","7.1025","0.0014","10.7187","0.0016","90","","107.46","0.013","90","","620.17","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-(2-deoxy-α-D-ribofuranosyl)-5-aza-7-deazaguanine","2-amino-8-(2-deoxy-α-D-erythro-pentofuranosyl) -8H-imidazo[1,2-a][1,3,5]triazin-4-one monohydrate","","- C10 H15 N5 O5 -","- C10 H15 N5 O5 -","- C20 H30 N10 O10 -","2","1","JZ1477","Seela, Frank; Rosemeyer, Helmut; Melenewski, Alexander; Heithoff, Eva-Maria; Eickmeier, Henning; Reuter, Hans","The α-<small>D</small> anomer of 5-aza-7-deaza-2'-deoxyguanosine","Acta Crystallographica Section C","2002","58","3","o142","o144","10.1107/S0108270101021916","","","0.71073","MoKα","","0.0319","0.0297","","","0.074","0.0762","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012580","19.476","0.002","8.2737","0.0004","21.786","0.002","90","","107.583","0.002","90","","3346.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[aquabis(1,2-diaminoethane)copper(II)] [bis(1,2-diaminoethane)hexa-μ-cyano-tetracyanotricopper(II)dinickel(II) dihydrate]","","- C18 H38 Cu4 N18 Ni2 O3 -","- C18 H37.774 Cu4 N18 Ni2 O3 -","- C72 H151.096 Cu16 N72 Ni8 O12 -","4","1","JZ1484","Černák, Juraj; Abboud, Khalil A.","Three different bonding modes of cyano groups in the coordination polymer [Cu(en)~2~(H~2~O)][Cu(en)~2~Ni~2~Cu~2~(CN)~10~]·2H~2~O (en is 1,2-diaminoethane)","Acta Crystallographica Section C","2002","58","3","m167","m170","10.1107/S0108270101021898","","","0.71073","MoKα","","0.098","0.044","","","0.088","0.108","","","","","","0.919","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012581","4.9211","0.0001","13.3792","0.0002","20.5881","0.0004","90","","90","","90","","1355.53","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,5'-cyclowyosine.H~2~O","4,5'-cyclo-3-β-D-ribofuranosyl- 4,9-dihydro-6-methyl-9-oxoimidazo[1,2-a]purine hydrate","","- C13 H15 N5 O5 -","- C13 H15 N5 O5 -","- C52 H60 N20 O20 -","4","1","JZ1488","Leban, Ivan; Golankiewicz, Boženna; Zeidler, Joanna; Giester, Gerald; Kobe, Jože","3,4-Dihydro-6-methyl-3-β-<small>D</small>-ribofuranosyl-4,5'-cyclo-9<i>H</i>-imidazo[1,2-<i>a</i>]purin-9-one hydrate","Acta Crystallographica Section C","2002","58","3","o133","o135","10.1107/S0108270101021904","","","0.71073","MoKα","","0.0383","0.0343","","","0.078","0.0799","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012582","7.0887","0.0007","9.9723","0.0009","14.417","0.0013","83.773","0.002","78.629","0.002","77.153","0.002","971.9","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","aquochloro(1,10-phenanthroline-N,N')(4-methylphenylsulfonate-O)copper(II)","","- C19 H17 Cl Cu N2 O4 S -","- C19 H17 Cl Cu N2 O4 S -","- C38 H34 Cl2 Cu2 N4 O8 S2 -","2","1","JZ1489","Aller, Cristina; Castro, Jesús; Pérez-Lourido, Paulo; Labisbal, Elena; García-Vázquez, José Arturo","Aquachloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(<i>p</i>-toluenesulfonato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2002","58","3","m155","m157","10.1107/S0108270102000458","","","0.71073","MoKα","","0.0509","0.0468","","","0.1227","0.1259","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012583","6.8193","0.0014","6.7291","0.0013","9.0902","0.0018","90","","104.72","0.03","90","","403.44","0.15","203","2","203","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cyclohexylphosphonic acid","","- C6 H13 O3 P -","- C6 H13 O3 P -","- C12 H26 O6 P2 -","2","0.5","JZ1491","Merz, Klaus; Knüfer, Annegret","Cyclohexylphosphonic acid","Acta Crystallographica Section C","2002","58","3","o187","o188","10.1107/S0108270102001439","","","0.71073","MoKα","","0.04","0.037","","","0.1","0.103","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012584","12.114","0.0006","12.9702","0.0006","6.5813","0.0003","90","","99.646","0.001","90","","1019.44","0.08","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-diium‒2,4-dinitrophenolate‒water (1/2/2)","","- C16 H22 N6 O12 -","- C16 H22 N6 O12 -","- C32 H44 N12 O24 -","2","0.5","LN1130","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok","Piperazine-1,4-diium‒2,4-dinitrophenolate‒water (1/2/2)","Acta Crystallographica Section C","2002","58","3","o136","o138","10.1107/S0108270101021667","","","0.71073","MoKα","","0.07","0.052","","","0.115","0.12","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012585","8.9304","0.0004","21.3533","0.0012","7.5895","0.0003","90","","90","","90","","1447.27","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","poly[(μ~2~-thiocyanato-N,S)-bis(nicotinamide-N)copper(I)","catena-Poly[[bis(nicotinamide-κN^1^)copper(I)]-μ-thiocyanato-κ^2^N:S]","","- C13 H12 Cu N5 O2 S -","- C13 H12 Cu N5 O2 S -","- C52 H48 Cu4 N20 O8 S4 -","4","0.5","LN1135","Jeß, Inke","<i>catena</i>-Poly[[bis(nicotinamide-κ<i>N</i>^1^)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","2002","58","3","m190","m192","10.1107/S0108270102001592","","","0.71073","MoKα","","0.042","0.03","","","0.073","0.078","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012586","11.628","0.0003","15.0898","0.0003","25.61","0.0006","90","","90.342","0.001","90","","4493.56","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[1,1'-bis(diphenylphosphino)ferrocenium] hexadecachlorotetraantimony(III) ethanol solvate","","- C70 H62 Cl16 Fe2 O P4 Sb4 -","- C70 H62 Cl16 Fe2 O P4 Sb4 -","- C140 H124 Cl32 Fe4 O2 P8 Sb8 -","2","0.5","NA1547","Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kasim, Nor Azilah","Bis[1,1'-bis(diphenylphosphino)ferrocenium] hexadecachlorotetraantimony(III) ethanol solvate","Acta Crystallographica Section C","2002","58","3","m162","m164","10.1107/S0108270101021370","","","0.71073","MoKα","","0.07","0.042","","","0.099","0.108","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012587","7.7922","0.0014","21.538","0.004","24.351","0.005","90","","98.92","0.02","90","","4037.4","1.4","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Chlorobenzyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C192 H144 Cl12 N12 O24 -","12","3","NA1552","Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.","Three tetrahydroisoquinolinedione derivatives","Acta Crystallographica Section C","2002","58","3","o164","o167","10.1107/S0108270102000896","","","1.54178","CuKα","","0.093","0.065","","","0.174","0.2","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012588","15.847","0.002","7.919","0.0007","11.0602","0.0011","90","","94.75","0.009","90","","1383.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Bromo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C64 H48 Br4 N4 O8 -","4","1","NA1552","Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.","Three tetrahydroisoquinolinedione derivatives","Acta Crystallographica Section C","2002","58","3","o164","o167","10.1107/S0108270102000896","","","0.71073","MoKα","","0.068","0.042","","","0.114","0.126","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012589","15.6702","0.0008","6.156","0.0005","14.5889","0.0007","90","","112.236","0.004","90","","1302.67","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione","","- C15 H9 Cl2 N O2 -","- C15 H9 Cl2 N O2 -","- C60 H36 Cl8 N4 O8 -","4","1","NA1552","Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.","Three tetrahydroisoquinolinedione derivatives","Acta Crystallographica Section C","2002","58","3","o164","o167","10.1107/S0108270102000896","","","0.71073","MoKα","","0.05","0.036","","","0.144","0.156","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012590","11.349","0.002","4.704","0.002","13.731","0.001","90","","106.43","0.01","90","","703.1","0.3","294.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N2 O2 Pt -","- C18 H12 N2 O2 Pt -","- C36 H24 N4 O4 Pt2 -","2","0.5","OA1121","Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro","Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate","Acta Crystallographica Section C","2002","58","3","m147","m149","10.1107/S0108270102000045","","","0.7107","MoKα","","","0.018","","","","0.045","","","","","","0.971","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012591","10.665","0.003","14.492","0.003","7.266","0.002","100.46","0.02","104.13","0.02","85.93","0.02","1070.5","0.5","294.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl2 N2 O6 Pt -","- C18 H22 Cl2 N2 O6 Pt -","- C36 H44 Cl4 N4 O12 Pt2 -","2","1","OA1121","Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro","Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate","Acta Crystallographica Section C","2002","58","3","m147","m149","10.1107/S0108270102000045","","","0.7107","MoKα","","","0.044","","","","0.136","","","","","","1.033","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2012592","9.89","0.001","16.563","0.001","15.135","0.002","90","","91.67","0.01","90","","2478.2","0.4","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-methylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum","","- C22 H14 Ir2 Mo2 O10 -","- C22 H14 Ir2 Mo2 O10 -","- C88 H56 Ir8 Mo8 O40 -","4","1","OA1125","Lucas, Nigel T.; Humphrey, Mark G.","Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate","Acta Crystallographica Section C","2002","58","3","m171","m173","10.1107/S0108270102000057","","","0.7107","MoKα","","0.05","0.033","","0.04","","0.038","","","1.7","","","1.835","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012593","38.199","0.004","36.135","0.005","9.303","0.004","90","","90","","90","","12841","6","296.2","","296.2","","","","","","","","","6","F d d 2","F 2 -2d","43","","tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-tetramethylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum dichloromethane hemisolvate","","- C28.5 H27 Cl Ir2 Mo2 O10 -","- C28 H26 Cl Ir2 Mo2 O10 -","- C448 H416 Cl16 Ir32 Mo32 O160 -","16","1","OA1125","Lucas, Nigel T.; Humphrey, Mark G.","Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate","Acta Crystallographica Section C","2002","58","3","m171","m173","10.1107/S0108270102000057","","","0.7107","MoKα","","0.046","0.023","","0.026","","0.023","","","0.79","","","0.82","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012594","6.791","0.001","11.17","0.002","11.246","0.002","93.75","0.03","97.13","0.03","102.56","0.02","822.4","0.3","140","","293","","","","","","","","","4","P -1","-P 1","2","monlow","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","2","OA1127","Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem","1-Methyl-5,6,7,8-tetrahydroquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section C","2002","58","3","o148","o150","10.1107/S0108270102001087","","","0.71073","MoKα","","0.1277","0.0546","","","0.1288","0.1692","","","","","","0.905","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012595","6.774","0.002","15.875","0.003","13.477","0.003","90","","90","0.03","90","","1449.3","0.6","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","Magnet-4","Dispiro[2H-benzimidazole-2,1'-cyclohexane-4',2''- [2H]benzimidazole],1,-oxide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","","OA1128","Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark","Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide","Acta Crystallographica Section C","2002","58","3","o183","o186","10.1107/S0108270102001099","","","0.71069","MoKα","","0.0648","0.0425","","","0.112","0.1191","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012596","5.416","0.002","7.29","0.002","10.426","0.003","104.39","0.03","104.15","0.03","98.41","0.03","377.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Magnet-5","dispiro [2H-benzimidazole-2,1'-cyclohexane-4',2''-[2H]benzimidazole] ,1,1''-dioxide","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","1","0.5","OA1128","Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark","Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide","Acta Crystallographica Section C","2002","58","3","o183","o186","10.1107/S0108270102001099","","","0.71069","MoKα","","0.0936","0.0534","","","0.1258","0.1393","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012597","16.0287","0.0011","9.6132","0.0007","20.2697","0.0015","90","","110.906","0.001","90","","2917.7","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{tris[2-(benzylamino)ethyl]amine-κ^4^N}silver(I) perchlorate","","- C27 H36 Ag Cl N4 O4 -","- C27 H36 Ag Cl N4 O4 -","- C108 H144 Ag4 Cl4 N16 O16 -","4","1","OB1051","Yoon, Il; Shin, Yong Woon; Kim, Jineun; Park, Ki-Min; Park, Sung Bae; Lee, Shim Sung","A pseudo-cage complex of silver(I) with tripodal tetraamine having benzyl end groups, {tris[2-(benzylamino)ethyl]amine-κ^4^<i>N</i>}silver(I) perchlorate","Acta Crystallographica Section C","2002","58","3","m165","m166","10.1107/S0108270102000665","","","0.71073","MoKα","","0.048","0.033","","","0.081","0.09","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012598","10.942","0.002","10.223","0.001","21.092","0.002","90","","101.24","0.01","90","","2314.1","0.5","299","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]cobalt(II)","","- C44 H54 Co N8 Ni2 O10 -","- C44 H54 Co N8 Ni2 O10 -","- C88 H108 Co2 N16 Ni4 O20 -","2","0.5","OB1055","Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut","Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)","Acta Crystallographica Section C","2002","58","3","m193","m196","10.1107/S0108270102001609","","","0.71073","MoKα","","","0.031","","","","0.085","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012599","10.952","0.0012","10.2387","0.0013","21.0884","0.0012","90","","101.252","0.003","90","","2319.3","0.4","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]copper(II)","","- C44 H54 Cu N8 Ni2 O10 -","- C44 H54 Cu N8 Ni2 O10 -","- C88 H108 Cu2 N16 Ni4 O20 -","2","0.5","OB1055","Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut","Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)","Acta Crystallographica Section C","2002","58","3","m193","m196","10.1107/S0108270102001609","","","1.5418","CuKα","","","0.05","","","","0.159","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012600","11.009","0.002","10.206","0.0008","21.216","0.002","90","","101.247","0.007","90","","2338","0.5","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]manganese(II)","","- C44 H54 Mn N8 Ni2 O10 -","- C44 H54 Mn N8 Ni2 O10 -","- C88 H108 Mn2 N16 Ni4 O20 -","2","0.5","OB1055","Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut","Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)","Acta Crystallographica Section C","2002","58","3","m193","m196","10.1107/S0108270102001609","","","0.71073","MoKα","","","0.033","","","","0.099","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012601","7.557","0.001","8.618","0.001","10.582","0.001","108.26","0.01","104.5","0.01","102.37","0.01","600.65","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Barium tetraphosphate","Barium tetraphosphate","","- Ba3 O13 P4 -","- Ba3 O13 P4 -","- Ba6 O26 P8 -","2","1","OS1147","Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M.","Barium tetraphosphate","Acta Crystallographica Section C","2002","58","3","i29","i30","10.1107/S0108270101021588","","","0.71073","MoKα","","0.0402","0.0315","","","0.0917","0.0994","","","","","","0.898","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012602","11.6418","0.0012","11.5449","0.0011","6.8981","0.0007","90","","99.476","0.01","90","","914.48","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","phenazine β-polymorph","","- C12 H8 N2 -","- C12 H8 N2 -","- C48 H32 N8 -","4","1","OS1149","Jankowski, Wojciech; Gdaniec, Maria","The β-polymorph of phenazine","Acta Crystallographica Section C","2002","58","3","o181","o182","10.1107/S0108270102001464","","","0.71073","MoKα","","0.072","0.053","","","0.135","0.149","","","","","","1.227","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012603","7.0983","0.0011","9.3947","0.0015","13.88","0.002","87.686","0.003","79.635","0.003","79.498","0.003","895.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","6,21-diaza-3,9,18,24-tetraazoniatricyclo[22.2.2.2^11,14^]triaconta- 11,13,24,26(1),27,29-hexaene benzene-1,2,4,5-tetracarboxylate hexahydrate","","- C34 H56 N6 O14 -","- C34 H56 N6 O14 -","- C34 H56 N6 O14 -","1","0.5","SK1508","Zhu, Long-Gen; Ellern, Arkady M.; Kostić, Nenad M.","The binary adduct of 3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene and benzene-1,2,4,5-tetracarboxylic acid","Acta Crystallographica Section C","2002","58","3","o129","o130","10.1107/S0108270101020777","","","0.71073","MoKα","","0.099","0.047","","","0.093","0.104","","","","","","0.899","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012604","36.426","0.009","9.141","0.001","6.281","0.002","90","","90","","90","","2091.4","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Methoxy-17α-hydroxy-17β-benzylestra-1,3,5(10)-trien-16-one","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","SK1521","Stanković, Slobodanka; Lazar, Dušan; Medić-Mijačević, Ljubica; Penov-Gaši, Katarina; Sakač, Marija; Andrić, Silvana; Milenko, Bruvo","<small>D</small>-Secoestrone derivatives. VI. 17β-Benzyl-17α-hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one","Acta Crystallographica Section C","2002","58","3","o172","o173","10.1107/S0108270101020807","","","1.5418","CuKα","","0.055","0.047","","","0.117","0.125","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012605","10.5606","0.0013","12.1254","0.0009","14.8196","0.001","90","","107.389","0.006","90","","1810.9","0.3","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetate","","- C19 H17 N3 O4 S -","- C19 H17 N3 O4 S -","- C76 H68 N12 O16 S4 -","4","1","SK1525","Gallagher, John F.; Coleman, Clare M.; O'Shea, Donal F.","Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1<i>H</i>-imidazol-4-yl]sulfanyl}acetate: synthesis <i>via</i> a microwave-mediated combinatorial chemistry approach","Acta Crystallographica Section C","2002","58","3","o139","o141","10.1107/S0108270101020571","","","0.71073","MoKα","","0.066","0.042","","","0.098","0.11","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012606","13.716","0.003","14.103","0.003","6.214","0.004","90","","90","","90","","1202","0.9","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-cis-3-trans-3-Ethyl-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid","","- C12 H20 O3 -","- C12 H20 O3 -","- C48 H80 O12 -","4","1","SK1530","Xie, Songwen; Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.","<i>trans</i>-3-Ethyl-<i>cis</i>-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid: an intermediate in the synthesis of a highly potent estrogen","Acta Crystallographica Section C","2002","58","3","o159","o161","10.1107/S0108270102000252","","","0.71069","MoKα","","0.062","0.034","","","0.081","0.092","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012607","7.3677","0.0003","14.7904","0.0019","25.379","0.003","90","0.009","90","0.009","90","0.009","2765.6","0.5","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O14 Rb3 Ta5 -","- O14 Rb3 Ta5 -","- O112 Rb24 Ta40 -","8","1","TA1346","du Boulay, Douglas; Yamashita, Reiko; Ishizawa, Nobuo","Synchrotron X-ray study of orthorhombic Rb~3~Ta~5~O~14~ with a modified pyrochlore structure","Acta Crystallographica Section C","2002","58","3","i40","i44","10.1107/S010827010101890X","","","0.8499","synchrotron","","0.044","0.043","","0.047","","0.047","","","3.244","","","3.275","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012608","9.049","0.002","10.507","0.003","10.779","0.003","71.79","0.04","89.52","0.04","76.13","0.04","942.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis[(4-aminopyridinio)acetato-κO]diaquamanganese(II) diperchlorate","","- C28 H36 Cl2 Mn N8 O18 -","- C28 H36 Cl2 Mn N8 O18 -","- C28 H36 Cl2 Mn N8 O18 -","1","0.5","TA1355","Zhang, Yu; Tao, Hanbing; Duan, Chunying; Li, Yizhi; Zhu, Longgen","Tetrakis[(4-aminopyridinio)acetato-κ<i>O</i>]diaquamanganese(II) diperchlorate","Acta Crystallographica Section C","2002","58","3","m188","m189","10.1107/S0108270102000343","","","0.71073","MoKα","","0.055","0.049","","","0.143","0.148","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012609","20.0909","0.0004","11.3466","0.0001","15.6407","0.0004","90","","95.476","0.001","90","","3549.24","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis[tetraaquacobalt(II)-μ-4,4'-bipyridine-κ^2^N:N']] benzene-1,2,4,5-tetracarboxylate(4-) dihydrate]","","- C30 H38 Co2 N4 O18 -","- C30 H38 Co2 N4 O18 -","- C120 H152 Co8 N16 O72 -","4","0.5","VJ1159","Wu, Chuan-De; Lu, Can-Zhong; Yu, Ya-Qin; Zhuang, Hong-Hui; Huang, Jin-Shun","<i>catena</i>-Poly[bis[tetraaquacobalt(II)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,2,4,5-tetracarboxylate(4{-}) dihydrate]","Acta Crystallographica Section C","2002","58","3","m197","m198","10.1107/S0108270102001579","","","0.71073","MoKα","","0.061","0.047","","","0.106","0.117","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012610","10.03","0.001","11.336","0.001","13.656","0.002","90.99","0.02","109.47","0.02","101.01","0.03","1431.4","0.4","213","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Ag N5 O3 -","- C10 H16 Ag N5 O3 -","- C40 H64 Ag4 N20 O12 -","4","2","BK1637","Mohamed, Ahmed A.; Fackler, John P. Jr","Bis(3,5-dimethylpyrazole-κ<i>N</i>^2^)silver(I) nitrate","Acta Crystallographica Section C","2002","58","4","m228","m229","10.1107/S0108270102002044","","","0.71073","MoKα","","0.0559","0.04","","","0.0881","0.0943","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012611","7.357","0.002","7.667","0.002","8.19","0.002","92.1","0.01","109.81","0.01","117.31","0.01","375.84","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4,7-dichlorobenzo[c]furazan 1-oxide, polymorph I","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C12 H4 Cl4 N4 O4 -","2","1","BK1639","Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.","The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide","Acta Crystallographica Section C","2002","58","4","o235","o238","10.1107/S0108270102003591","","","0.71073","MoKα","","0.04","0.034","","","0.091","0.095","","","","","","1.09","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012612","21.828","0.005","7.819","0.002","27.501","0.007","90","","105.21","0.03","90","","4529","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,7-dichlorobenzo[c]furazan 1-oxide, polymorph II","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C144 H48 Cl48 N48 O48 -","24","3","BK1639","Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.","The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide","Acta Crystallographica Section C","2002","58","4","o235","o238","10.1107/S0108270102003591","","","0.71073","MoKα","","0.045","0.034","","","0.077","0.081","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012613","22.81","0.006","7.835","0.002","27.859","0.007","90","","105.31","0.02","90","","4802","2","175","2","175","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,7-dibromobenzo[c]furazan 1-oxide","","- C6 H2 Br2 N2 O2 -","- C6 H2 Br2 N2 O2 -","- C144 H48 Br48 N48 O48 -","24","3","BK1639","Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.","The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide","Acta Crystallographica Section C","2002","58","4","o235","o238","10.1107/S0108270102003591","","","0.71073","MoKα","","0.06","0.033","","","0.053","0.058","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012614","11.803","0.001","25.951","0.002","12.31","0.001","90","","115.31","0.01","90","","3408.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(3,4,7,8-Tetramethyl-1,10-phenanthroline-N,N')nickel(II) dinitrate, methanol solvate","","- C33 H40 N6 Ni O9 -","- C32.846 H36 N6 Ni O8.846 -","- C131.384 H144 N24 Ni4 O35.384 -","4","1","BK1640","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Two nickel complexes stabilized by nitrate counter-ions","Acta Crystallographica Section C","2002","58","4","m221","m224","10.1107/S0108270102002834","","","0.71073","MoKα","","0.084","0.056","","","0.15","0.163","","","","","","0.951","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"2012615","12.328","0.002","14.851","0.003","14.124","0.003","90","","100.06","0.03","90","","2546.1","0.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Triaqua-(2,4,6-tris(2-Pyridyl)-1,3,5-triazine-N,N',N"")nickel(II), dinitrate, trihydrate","","- C18 H24 N8 Ni O12 -","- C18 H24 N8 Ni O12 -","- C72 H96 N32 Ni4 O48 -","4","1","BK1640","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Two nickel complexes stabilized by nitrate counter-ions","Acta Crystallographica Section C","2002","58","4","m221","m224","10.1107/S0108270102002834","","","0.71073","MoKα","","0.041","0.037","","","0.089","0.092","","","","","","0.924","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012616","15.1714","0.0009","9.019","0.0005","17.2111","0.001","90","","90","","90","","2355","0.2","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","cis-Dioxocyclam","1,4,8,11-Tetraazacyclotetradecane-5,7-dione","","- C10 H20 N4 O2 -","- C10 H20 N4 O2 -","- C80 H160 N32 O16 -","8","","BK1641","Mashuta, Mark S.; Pimenov, Konstantin V.; Grapperhaus, Craig A.","<i>cis</i>-Dioxocyclam","Acta Crystallographica Section C","2002","58","4","o226","o227","10.1107/S0108270102003165","","","0.71073","MoKα","","0.036","0.034","","","0.087","0.088","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012617","8.3991","0.001","15.51","0.003","7.1584","0.001","90","","104.261","0.01","90","","903.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(thiourea-κS)gold(I) chloride","","- C2 H8 Au Cl N4 S2 -","- C2 H8 Au Cl N4 S2 -","- C8 H32 Au4 Cl4 N16 S8 -","4","0.5","BM1485","Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J.","Two thiourea-containing gold(I) complexes","Acta Crystallographica Section C","2002","58","4","m252","m255","10.1107/S0108270102003062","","","0.71073","MoKα","","0.064","0.031","","","0.089","0.102","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012618","8.059","0.0001","11.498","0.0002","20.069","0.0004","88.813","0.0009","85.054","0.0011","88.217","0.0012","1851.52","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(thiourea-κS)gold(I)] sulfate","","- C4 H16 Au2 N8 O4 S5 -","- C4 H16 Au2 N8 O4 S5 -","- C16 H64 Au8 N32 O16 S20 -","4","2","BM1485","Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J.","Two thiourea-containing gold(I) complexes","Acta Crystallographica Section C","2002","58","4","m252","m255","10.1107/S0108270102003062","","","0.7107","MoKα","","0.055","0.049","","","0.133","0.139","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012619","13.3194","0.0003","7.7311","0.0001","16.5545","0.0003","90","","90","","90","","1704.68","0.05","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","3,4-(4-methoxybenzo):8,9-benzo-bicyclo[4.4.1]undeca-3,9-dien-11-one ethylene acetal","5-methoxyspiro[tetracyclo[8.8.1.0^3,8^.0^12,17^]nonadeca-3,5,7,12,14,16-hexene- 19,2'-[1,3]dioxolane]","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","BM1488","Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.","3,4-(4-Methoxybenzo):8,9-benzobicyclo[4.4.1]undeca-3,8-dien-11-one ethylene acetal","Acta Crystallographica Section C","2002","58","4","o218","o219","10.1107/S0108270102001816","","","0.71073","MoKα","","0.0378","0.0338","","","0.082","0.0842","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012620","14.238","0.002","8.3554","0.0013","16.487","0.003","90","","95.261","0.003","90","","1953.1","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Tetrapotassium nonastannide","","- K4 Sn9 -","- K4 Sn9 -","- K16 Sn36 -","4","1","BR1356","Hoch, Constantin; Wendorff, Marco; Röhr, Caroline","Tetrapotassium nonastannide, K~4~Sn~9~","Acta Crystallographica Section C","2002","58","4","i45","i46","10.1107/S0108270102002032","","","0.7107","MoKα","","0.0498","0.027","","","0.0475","0.0582","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012621","8.3979","0.0009","5.3327","0.0006","11.1482","0.0012","90","","108.422","0.002","90","","473.67","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Trimercury(II) {bis[selenite(IV)] selenate(VI)}]","","- Hg3 O10 Se3 -","- Hg3 O10 Se3 -","- Hg6 O20 Se6 -","2","1","BR1358","Weil, Matthias; Kolitsch, Uwe","Hg~3~Se~3~O~10~, a mercury(II) compound with mixed-valence oxoselenium(IV/VI) anions","Acta Crystallographica Section C","2002","58","4","i47","i49","10.1107/S0108270102001920","","","0.71073","MoKα","","0.032","0.027","","","0.058","0.06","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012622","7.93","0.002","7.93","0.002","20.21","0.009","90","","90","","120","","1100.6","0.6","293","2","293","2","","","","","","","","5","P 31","P 31","144","","ethoxydinitronitrosyl(N,N,N',N'-tetramethylethylendiamine- κ^2^N,N')ruthenium(II)","","- C8 H21 N5 O6 Ru -","- C8 H21 N5 O6 Ru -","- C24 H63 N15 O18 Ru3 -","3","1","DA1216","Albores, Pablo; Chaia, Zulema D.; Baraldo, Luis; Castellano, Ernesto E.; Piro, Oscar E.","A complex containing three different kinds of Ru—N bonds: ethoxydinitronitrosyl(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","Acta Crystallographica Section C","2002","58","4","m235","m236","10.1107/S0108270102001701","","","1.5418","CuKα","","0.035","0.035","","","0.094","0.094","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012623","10.255","0.0015","9.509","0.0014","13.455","0.0014","90","","99.715","0.011","90","","1293.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","carbobenzoxy-dehydro-leucyl-alanyl-leucylmethylester","methyl N-(benzyloxycarbonyl)-α,β-dehydroleucyl-L-alanyl-L-leucinate","","- C24 H35 N3 O6 -","- C24 H35 N3 O6 -","- C48 H70 N6 O12 -","2","1","DE1174","Makker, Jyoti; Dey, Sharmistha; Kumar, Pravindra; Singh, Tej P.","Design of peptides with α,β-dehydro residues: pseudo-tripeptide <i>N</i>-benzyloxycarbonyl‒ΔLeu‒<small>L</small>-Ala‒<small>L</small>-Leu‒OCH~3~","Acta Crystallographica Section C","2002","58","4","o212","o214","10.1107/S0108270101016468","","","1.5418","CuKα","","0.0614","0.053","","","0.1472","0.1542","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012624","18.3531","0.0018","10.871","0.0012","13.821","0.0012","90","","90","","90","","2757.5","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","triethylammonium 26,27,28-trihydroxypentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-olate","","- C34 H39 N O4 -","- C34 H39 N O4 -","- C136 H156 N4 O16 -","4","1","DN1006","Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques","Two triethylammonium ion complexes of monoanionic calix[4]arene","Acta Crystallographica Section C","2002","58","4","o223","o225","10.1107/S0108270102003220","","","0.71073","MoKα","","0.1","0.057","","","0.106","0.124","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012625","20.1364","0.0014","30.908","0.0014","16.0088","0.001","90","","118.587","0.003","90","","8748.9","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","tris(triethylammonium) tris{26,27,28-trihydroxypentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-olate} acetonitrile solvate","","- C104 H120 N4 O12 -","- C104 H120 N4 O12 -","- C416 H480 N16 O48 -","4","1","DN1006","Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques","Two triethylammonium ion complexes of monoanionic calix[4]arene","Acta Crystallographica Section C","2002","58","4","o223","o225","10.1107/S0108270102003220","","","0.71073","MoKα","","0.095","0.056","","","0.12","0.14","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012626","7.7958","0.0011","9.9319","0.0014","14.849","0.002","74.673","0.002","81.96","0.002","79.617","0.002","1085.5","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridine)(dichromate)copper(II)","","- C20 H16 Cr2 Cu N4 O7 -","- C20 H16 Cr2 Cu N4 O7 -","- C40 H32 Cr4 Cu2 N8 O14 -","2","1","FR1351","Maggard, Paul A.; Kopf, Amy L.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(dichromato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2002","58","4","m207","m209","10.1107/S0108270101021722","","","0.71073","MoKα","","0.0469","0.039","","","0.1029","0.1088","","","","","","1.058","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012627","9.923","0.003","9.527","0.003","27.337","0.007","90","","90","","90","","2584.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-aminopyridium 2-chloro-4-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C96 H80 Cl8 N24 O32 -","8","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.096","0.04","","","0.097","0.137","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012628","12.624","0.004","7.27","0.002","14.023","0.005","90","","96.329","0.005","90","","1279.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Aminopyridium 2-chloro-5-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C48 H40 Cl4 N12 O16 -","4","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.053","0.034","","","0.084","0.093","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012629","12.219","0.006","8.488","0.004","13.368","0.006","90","","112.467","0.009","90","","1281.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridium 5-chloro-2-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C48 H40 Cl4 N12 O16 -","4","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.114","0.049","","","0.121","0.146","","","","","","0.978","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012630","25.608","0.019","8.475","0.006","12.433","0.01","90","","103.749","0.014","90","","2621","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Aminopyridium 4-chloro-2-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C96 H80 Cl8 N24 O32 -","8","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.065","0.037","","","0.093","0.12","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012631","3.513","0.002","11.802","0.002","9.191","0.001","90","","99.5","0.02","90","","375.8","0.2","296.2","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-poly[[(6-carboxypyridine-2-carboxylato-κ^3^O,N,O')lithium(I)]-μ- aqua-κ^2^O:O]","","- C7 H6 Li N O5 -","- C7 H6 Li N O5 -","- C14 H12 Li2 N2 O10 -","2","0.5","GG1090","Odoko, Mamiko; Kusano, Ai; Oya, Naomi; Okabe, Nobuo","A lithium complex of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2002","58","4","m215","m216","10.1107/S0108270102002718","","","0.71073","MoKα","","","0.068","","","","0.235","","","","","","1.153","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012632","10.418","0.004","6.627","0.003","11.733","0.005","90","","106.29","0.02","90","","777.5","0.6","160","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Aquachloro{2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}manganese(III)","","- C16 H16 Cl Mn N2 O3 -","- C16 H16 Cl Mn N2 O3 -","- C32 H32 Cl2 Mn2 N4 O6 -","2","1","GG1092","Martínez, David; Motevalli, Majid; Watkinson, Michael","Aquachloro[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneiminato)]manganese(III)","Acta Crystallographica Section C","2002","58","4","m258","m260","10.1107/S0108270102003529","","","0.71073","MoKα","","","0.037","","","","0.099","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012633","18.3307","0.0002","10.9887","0.0001","18.7279","0.0002","90","","106.172","0.0007","90","","3623.1","0.07","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Br F3 Ni P2 -","- C42 H36 Br F3 Ni P2 -","- C168 H144 Br4 F12 Ni4 P8 -","4","1","GG1096","Edwards, Alison J.; Wenger, Eric","The seven-membered nickelacycle [NiBr{<i>o</i>-CH=C(CF~3~)C~6~H~4~CH~2~PPh~2~-κ^2^<i>C</i>,<i>P</i>}{PPh(CH~2~Ph)~2~}]","Acta Crystallographica Section C","2002","58","4","m230","m231","10.1107/S0108270102002883","","","0.71073","MoKα","","","0.0312","","","","0.0362","","","","","","1.0509","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012634","8.8719","0.0017","12.0961","0.0017","15.323","0.004","90","","94.702","0.016","90","","1638.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-(5-bromo-2-oxidobenzylideneamino)benzoato-κ^3^O,N,O']dimethyltin(IV)","","- C16 H14 Br N O3 Sn -","- C16 H14 Br N O3 Sn -","- C64 H56 Br4 N4 O12 Sn4 -","4","1","GG1098","Georgina M. Rosair; Dey, Dilip Kumar; Samanta, Brajagopal; Mitra, Samiran","[5-Bromo-<i>N</i>-(2-carboxylatophenyl)salicylideniminato]dimethyltin(IV)","Acta Crystallographica Section C","2002","58","4","m266","m267","10.1107/S0108270102003530","","","0.71073","MoKα","","0.053","0.042","","","0.103","0.109","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012635","8.8647","0.0002","13.3168","0.0003","15.1469","0.0004","72.154","0.0008","78.62","0.0009","88.348","0.0015","1667.63","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis[1-(3-chloropropyl)-1,2,4-triazole- κN^4^]bis(tetrafluoroborato)copper(II)","","- C20 H32 B2 Cl4 Cu F8 N12 -","- C20 H32 B2 Cl4 Cu F8 N12 -","- C40 H64 B4 Cl8 Cu2 F16 N24 -","2","1","GG1102","Mills, Allison M.; Flinzner, Kristel; Stassen, Arno F.; Haasnoot, Jaap G.; Spek, Anthony L.","Tetrakis[1-(3-chloropropyl)-1,2,4-triazole-κ<i>N</i>^4^]bis(tetrafluoroborato-κ<i>F</i>)copper(II)","Acta Crystallographica Section C","2002","58","4","m243","m245","10.1107/S0108270102003086","","","0.71073","MoKα","","0.0785","0.0502","","","0.1153","0.1285","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012636","8.0859","0.0005","11.8567","0.0007","9.2347","0.0005","90","","113.512","0.001","90","","811.85","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Caesium molybdenomethylendiphosphonate","","- C H3 Cs Mo O8 P2 -","- C H2 Cs Mo O8 P2 -","- C4 H8 Cs4 Mo4 O32 P8 -","4","1","IZ1019","Barthelet, Karin; Riou, Didier; Férey, Gerard","CsMoO~2~(HO~3~P‒CH~2~‒PO~3~): a new metallodiphosphonate with a hybrid framework","Acta Crystallographica Section C","2002","58","4","m264","m265","10.1107/S0108270102003992","","","0.71073","MoKα","","0.048","0.033","","0.09","","0.081","","","1.068","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012637","9.3225","0.0019","8.0089","0.0017","21.651","0.005","90","","102.263","0.005","90","","1579.6","0.6","293","2","293","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","barium copper indium nitride","tetradecabarium dicopper tetraindium heptanitride","","- Ba14 Cu2 In4 N7 -","- Ba14 Cu2 In4 N7 -","- Ba28 Cu4 In8 N14 -","2","0.5","IZ1020","Yamane, Hisanori; Sasaki, Shinya; Kubota, Shunichi; Kajiwara, Takashi; Shimada, Masahiko","Ba~14~Cu~2~In~4~N~7~, a new subnitride with isolated nitridocuprate groups and indium clusters","Acta Crystallographica Section C","2002","58","4","i50","i52","10.1107/S010827010200361X","","","0.71073","MoKα","","0.08","0.045","","","0.102","0.112","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012638","11.752","0.003","17.795","0.003","9.594","0.003","90","","107.95","0.03","90","","1908.7","0.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(4-methylpyridine-κN)copper(II)]-bis-μ-[[dicyanoargentate(I)- κ^2^N:N']]","","- C16 H14 Ag2 Cu N6 -","- C16 H14 Ag2 Cu N6 -","- C64 H56 Ag8 Cu4 N24 -","4","0.5","JZ1492","Triščíková, Ľubica; Potočňák, Ivan; Wagner, Christoph","Low-dimensional compounds containing cyano groups. I. <i>catena</i>-Poly[[[dicyanoargentato(I)-κ<i>N</i>]bis(4-methylpyridine-κ<i>N</i>)copper(II)]-μ-dicyanoargentato(I)-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2002","58","4","m246","m248","10.1107/S0108270102002123","","","0.71073","MoKα","","0.025","0.019","","","0.047","0.049","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012639","42.785","0.012","10.32","0.014","32.238","0.011","90","","130.785","0.012","90","","10778","15","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-[1,2-Bis(diisopropylphosphino-κP)-1,2-dicarba-closo- dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate","","- C14.5 H39 B10 Cl3 P2 Pt -","- C14.5 H39 B10 Cl3 P2 Pt -","- C232 H624 B160 Cl48 P32 Pt16 -","16","2","JZ1494","Paavola, Sari; Teixidor, Francesc; Viñas, Clara; Kivekäs, Raikko","<i>cis</i>-[1,2-Bis(diisopropylphosphino-κ<i>P</i>)-1,2-dicarba-<i>closo</i>-dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate","Acta Crystallographica Section C","2002","58","4","m237","m239","10.1107/S0108270102002184","","","0.71073","MoKα","","0.124","0.068","","","0.133","0.146","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012640","8.5466","0.0012","12.1018","0.0016","12.9993","0.0016","109.293","0.014","99.966","0.016","95.14","0.01","1234.2","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","(BETS)Fe(tdas)~2~","bis[4,5-ethylenedithio-2-(4,5-ethylenedithio-1,3-diselenacyclopent-4-en-2- ylidene)-1,3-diselenacyclopent-4-enium] bis(μ-1,2,5-thiadiazole-3,4-dithiolato-κ^3^S^4^,S^5^:S^4^)- bis[(1,2,5-thiadiazole-3,4-dithiolato-κ^2^S^4^,S^5^)iron(III)]","","- C28 H16 Fe2 N8 S20 Se8 -","- C28 H16 Fe2 N8 S20 Se8 -","- C28 H16 Fe2 N8 S20 Se8 -","1","0.5","JZ1495","Pilia, Luca; Faulmann, Christophe; Malfant, Isabelle; Collière, Vincent; Mercuri, Maria Laura; Deplano, Paola; Cassoux, Patrick","(BETS)~2~[Fe(tdas)~2~]~2~: a new metal in the molecular conductor family","Acta Crystallographica Section C","2002","58","4","m240","m242","10.1107/S010827010200330X","","","0.71073","MoKα","","0.049","0.033","","","0.068","0.073","","","","","","0.982","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2012641","20.598","0.004","20.598","0.004","14.07","0.008","90","","90","","90","","5970","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetra-μ-acetato-κ^2^O:O'-bis[(4-phenylpyridine-κN)copper(II)]","","- C30 H30 Cu2 N2 O8 -","- C30 H30 Cu2 N2 O8 -","- C240 H240 Cu16 N16 O64 -","8","0.5","JZ1496","Tong, Ming-Liang; Li, Wei; Chen, Xiao-Ming; Zheng, Shao-Liang; Ng, Seik Weng","Tetra-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis[(4-phenylpyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section C","2002","58","4","m232","m234","10.1107/S0108270102002962","","","0.71073","MoKα","","0.1","0.053","","","0.121","0.14","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012642","7.632","0.004","10.341","0.005","6.289","0.005","90","","112.77","0.04","90","","457.7","0.5","203","2","203","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","tert-Butyltrichlorotin(IV)","tert-Butyltrichlorotin(IV)","","- C4 H9 Cl3 Sn -","- C4 H9 Cl3 Sn -","- C8 H18 Cl6 Sn2 -","2","0.5","LN1131","Reuter, Hans; Eickmeier, Henning; Puff, Heinrich; Beckermann, Norbert; Hänssgen, Dieter","Tin‒halide compounds. IV. <i>tert</i>-Butyltrichlorotin(IV)","Acta Crystallographica Section C","2002","58","4","m217","m218","10.1107/S0108270102001737","","","0.71073","MoKα","","0.036","0.036","","","0.101","0.101","","","","","","1.149","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012643","11.036","0.001","12.348","0.001","14.002","0.001","76.35","0.01","77.19","0.01","70.82","0.01","1729.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis-[hydrogen-1,1'-bis(diphenylphosphinato)ferrocenium octachlorodiantimony(III)","","- C68 H58 Cl8 Fe2 O4 P4 Sb2 -","- C68 H58 Cl8 Fe2 O4 P4 Sb2 -","- C68 H58 Cl8 Fe2 O4 P4 Sb2 -","1","0.5","LN1132","Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kassim, Nor Azilah M.","Bis[hydrogen 1,1'-bis(diphenylphosphinato)ferrocenium] octachlorodiantimony(III)","Acta Crystallographica Section C","2002","58","4","m225","m227","10.1107/S0108270102002056","","","0.71073","MoKα","","0.0307","0.0272","","","0.074","0.0755","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012644","13.204","0.001","9.694","0.001","13.655","0.001","90","","117.11","0.01","90","","1555.8","0.3","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenylmonoethylphosphine-dithiomonometaphosphoryl chloride","","- C14 H15 Cl P2 S2 -","- C14 H15 Cl P2 S2 -","- C56 H60 Cl4 P8 S8 -","4","1","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.03","0.028","","","0.08","0.081","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012645","11.413","0.003","11.413","0.004","13.566","0.003","90","","90","","120","","1530.3","0.8","180","2","180","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Tris-n-propylphosphine-dithiomonometaphosphoryl chloride","","- C9 H21 Cl P2 S2 -","- C9 H21 Cl0.99999 P2 S2.00001 -","- C36 H84 Cl3.99996 P8 S8.00004 -","4","0.333333","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.022","0.022","","","0.053","0.054","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012646","11.522","0.003","11.522","0.003","13.45","0.004","90","","90","","120","","1546.4","0.7","180","2","180","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Tris-n-propylphosphine-dithiomonometaphosphoryl bromide","","- C9 H21 Br P2 S2 -","- C9 H21 Br0.9999 P2 S2.0001 -","- C36 H84 Br3.9996 P8 S8.0004 -","4","0.333333","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.06","0.033","","","0.057","0.061","","","","","","0.892","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012647","22.1109","0.0004","6.9308","0.0001","22.1109","0.0004","90","","95.128","0.001","90","","3374.85","0.1","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Acetyl-3-[1-(4-methoxyphenyl)-2-oxopropylidene]indol-2(3H)-one","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","NA1555","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","1-Acetyl-3-[1-(4-methoxyphenyl)-2-oxopropylidene]-1<i>H</i>-indol-2(3<i>H</i>)-one: a twinned crystal","Acta Crystallographica Section C","2002","58","4","o239","o241","10.1107/S0108270102003542","","","0.71073","MoKα","","0.131","0.057","","","0.122","0.145","","","","","","0.822","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012648","14.877","0.004","14.775","0.003","15.581","0.004","90","","115.8","0.02","90","","3083.4","1.4","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","cyclo-tetrakis(μ-1,4,7-trithiacyclononane- κ^3^S^1^,S^4^,S^7^:κS^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","","- C30 H54 Ag4 F12 N2 O16 S16 -","- C30 H54 Ag4 F12 N2 O16 S16 -","- C60 H108 Ag8 F24 N4 O32 S32 -","2","0.5","OA1126","Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku","A cyclic tetramer of [Ag(1,4,7-trithiacyclononane)]^+^, <i>cyclo</i>-tetrakis(μ-1,4,7-trithiacyclononane-κ^3^<i>S</i>^1^,<i>S</i>^4^,<i>S</i>^7^:κ<i>S</i>^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","Acta Crystallographica Section C","2002","58","4","m213","m214","10.1107/S0108270102001075","","","0.7107","MoKα","","","0.047","","","","0.133","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012649","9.583","0.002","10.74","0.002","15.247","0.003","106.79","0.03","90.65","0.02","104.09","0.03","1451.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazinethione","1-Methyl-5,6-diphenyl-2(1H)-pyrazinethione","","- C17 H14 N2 S -","- C17 H14 N2 S -","- C68 H56 N8 S4 -","4","2","OA1129","Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem; Scheffer, John R.; Yang, Jie","1-Methyl-5,6-diphenylpyrazine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2002","58","4","o220","o222","10.1107/S0108270102001105","","","0.71073","MoKα","","0.1449","0.0494","","","0.091","0.1072","","","","","","0.811","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012650","3.7663","0.0006","16.1667","0.0012","5.5705","0.0004","90","","93.156","0.007","90","","338.67","0.06","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Dipicolinic acid","2,6-pyridinedicarboxylic acid","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C14 H10 N2 O8 -","2","0.5","SK1531","Carranza Téllez, Vladimir; Sánchez Gaytán, Brenda; Bernès, Sylvain; González Vergara, Enrique","The supramolecular structure of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2002","58","4","o228","o230","10.1107/S0108270102002172","","","0.71073","MoKα","","0.043","0.04","","","0.118","0.121","","","","","","1.061","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012651","36.449","0.003","9.082","0.002","11.636","0.002","90","","106.1","0.07","90","","3700.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tos-Aib-ONP~o~","2-nitrophenyl 2-methyl-2-(para-toluenesulfonylamino)propanoate","","- C17 H18 N2 O6 S -","- C17 H18 N2 O6 S -","- C136 H144 N16 O48 S8 -","8","1","SK1532","Crisma, Marco; Toniolo, Claudio","Reactive intermediates in peptide synthesis. <i>ortho</i>-Nitrophenyl <i>N</i>^{α^}-<i>para</i>-toluenesulfonyl-α-aminoisobutyrate","Acta Crystallographica Section C","2002","58","4","o215","o217","10.1107/S0108270102002020","","","0.71073","MoKα","","0.102","0.047","","","0.12","0.144","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012652","24.388","0.005","12.47","0.002","18.425","0.004","90","","127.74","0.03","90","","4431","2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexaaquadodecabromohexatantalum(I,II) bis(tetramethylammonium) tetrabromide dihydrate","","- C8 H40 Br16 N2 O8 Ta6 -","- C8 H40 Br16 N2 O8 Ta6 -","- C32 H160 Br64 N8 O32 Ta24 -","4","0.5","SK1533","Vojnović, Marija; Jozić, Dražan; Giester, Gerald; Perić, Berislav; Planinić, Pavica; Brničević, Nevenka","Bis(tetramethylammonium) hexaaquadodeca-μ-bromo-<i>octahedro</i>-hexatantalum tetrabromide dihydrate","Acta Crystallographica Section C","2002","58","4","m219","m220","10.1107/S0108270102001841","","","0.71073","MoKα","","0.036","0.028","","","0.066","0.069","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012653","6.4715","0.0001","12.2447","0.0003","13.0098","0.0004","77.2052","0.001","76.6823","0.001","84.3491","0.0016","977.06","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,6-Diaminohexane‒1,1,1-tris(4-hydroxyphenyl)ethane (1/2)","","- C46 H52 N2 O6 -","- C46 H52 N2 O6 -","- C46 H52 N2 O6 -","1","0.5","SK1534","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl","Acta Crystallographica Section C","2002","58","4","o204","o208","10.1107/S0108270102001488","","","0.71073","MoKα","","0.054","0.041","","","0.101","0.109","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012654","12.1021","0.0004","10.771","0.0004","15.2142","0.0006","90","","90.28","0.0017","90","","1983.17","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Bipyridyl‒1,1,1-tris(4-hydroxyphenyl)ethane (1/2)","","- C50 H44 N2 O6 -","- C50 H44 N2 O6 -","- C100 H88 N4 O12 -","2","0.5","SK1534","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl","Acta Crystallographica Section C","2002","58","4","o204","o208","10.1107/S0108270102001488","","","0.71073","MoKα","","0.063","0.044","","","0.106","0.117","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012655","7.154","0.0003","7.875","0.0002","8.0352","0.0003","73.882","0.0016","85.7214","0.0013","80.9841","0.0015","429.29","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","S-(4-Nitrophenyl)thioglycolic acid","[(4-nitrophenyl)sulfanyl]acetic acid","","- C8 H7 N O4 S -","- C8 H7 N O4 S -","- C16 H14 N2 O8 S2 -","2","1","SK1535","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded molecular ladders in <i>S</i>-(4-nitrophenyl)thioglycolic acid","Acta Crystallographica Section C","2002","58","4","o201","o203","10.1107/S0108270102001786","","","0.71073","MoKα","","0.038","0.032","","","0.086","0.089","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012656","8.2573","0.0002","10.2229","0.0002","17.6996","0.0005","90","","90","","90","","1494.09","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^O:O]","","- C18 H16 O Sn -","- C18 H16 O Sn -","- C72 H64 O4 Sn4 -","4","1","SK1536","Glidewell, Christopher; Low, John N.; Bomfim, João A. S.; Filgueiras, Carlos A. L.; Wardell, James L.","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>] at 120K","Acta Crystallographica Section C","2002","58","4","m199","m201","10.1107/S0108270102001798","","","0.71073","MoKα","","0.029","0.025","","","0.058","0.06","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012657","7.5113","0.0014","7.2791","0.0013","13.898","0.003","90","","90","","90","","759.9","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Aminobenzenesulfonic acid","","- C6 H7 N O3 S -","- C6 H7 N O3 S -","- C24 H28 N4 O12 S4 -","4","1","SK1537","Low, John N.; Glidewell, Christopher; .","A quasi-diamondoid hydrogen-bonded framework in anhydrous sulfanilic acid","Acta Crystallographica Section C","2002","58","4","o209","o211","10.1107/S0108270102003025","","","0.71073","MoKα","","0.0262","0.0252","","","0.0688","0.0692","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012658","12.287","0.004","14.352","0.004","24.719","0.003","90","","90","","90","","4359","1.9","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H7 Ir3 Mo O11 -","- C17 H7 Ir3 Mo O11 -","- C136 H56 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.059","0.034","","0.0366","","0.0343","","","1.43","","","1.549","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012659","11.543","0.005","17.198","0.009","25.382","0.006","90","","90","","90","","5039","4","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Ir3 Mo O11 -","- C20 H13 Ir3 Mo O11 -","- C160 H104 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.0748","0.0384","","0.0382","","0.0341","","","1.23","","","1.312","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012660","10.922","0.003","10.226","0.002","11.725","0.002","90","","104.64","0.02","90","","1267","0.5","296.2","","296.2","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 Ir3 Mo O11 -","- C21 H15 Ir3 Mo O11 -","- C42 H30 Ir6 Mo2 O22 -","2","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.0209","0.0193","","0.0226","","0.0224","","","1.387","","","1.386","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012661","11.5797","0.0005","9.5007","0.0004","14.8683","0.0006","90","","107.899","0.001","90","","1556.57","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triaqua(2,2'-bipyridine-κ^2^N,N')(nitrato-κO)manganese(II) nitrate","","- C10 H14 Mn N4 O9 -","- C10 H14 Mn N4 O9 -","- C40 H56 Mn4 N16 O36 -","4","1","TA1358","Zhang, Xiaofeng; Huang, Deguang; Wang, Wenguo; Chen, Changneng; Liu, Qiutian","Triaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)manganese(II) nitrate","Acta Crystallographica Section C","2002","58","4","m268","m269","10.1107/S0108270102003876","","","0.71073","MoKα","","0.061","0.039","","","0.114","0.135","","","","","","0.931","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012662","8.5876","0.0006","11.7161","0.0009","13.8624","0.0011","73.531","0.007","74.745","0.006","69.59","0.006","1232.44","0.17","301","2","","","","","","","","","","5","P -1","-P 1","2","","Trisaquatris(2,6-dinitrophenolato-κ^2^O^1^,O^2^)yttrium(III)","","- C18 H15 N6 O18 Y -","- C18 H15 N6 O18 Y -","- C36 H30 N12 O36 Y2 -","2","1","TA1359","Suh, Hong Ryol; Suh, Hyung Sock; Yun, Sock Sung; Lee, Eun Kwang; Kang, Sung Kwon","Triaquatris(2,6-dinitrophenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)yttrium(III)","Acta Crystallographica Section C","2002","58","4","m202","m203","10.1107/S0108270102002822","","","0.71073","MoKα","","","0.056","","","","0.103","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","200215","2020-10-21","18:00:00",""
"2012663","10.3955","0.0006","9.7127","0.0008","7.1234","0.0004","90","","105.236","0.006","90","","693.96","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Polymeric [ethylenediamine-cobalt(II)] molybdate(VI)","","- C2 H8 Co Mo N2 O4 -","- C2 H8 Co Mo N2 O4 -","- C8 H32 Co4 Mo4 N8 O16 -","4","1","TA1361","Bi-Zhou Lin","Layered (ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) molybdate(VI)","Acta Crystallographica Section C","2002","58","4","m261","m263","10.1107/S0108270102003864","","","0.71069","MoKα","","0.0261","0.0232","","","0.0533","0.0543","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012664","22.247","0.008","6.888","0.002","15.211","0.004","90","","93.07","0.01","90","","2327.5","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaquabis(5-chloropyridinium-2-olato-κO)copper(II)]-μ-pyrazine- κ^2^N:N'] diperchlorate]","","- C14 H16 Cl4 Cu N4 O12 -","- C14 H16 Cl4 Cu N4 O12 -","- C56 H64 Cl16 Cu4 N16 O48 -","4","0.5","TA1367","Yuan, Ji-Xin; Hu, Mao-Lin; Cheng, Ya-Qian; Chen, Li-Chun; Ng, Seik Weng","<i>catena</i>-Poly[[[diaquabis(5-chloropyridinium-2-olato-κ<i>O</i>)copper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] diperchlorate]","Acta Crystallographica Section C","2002","58","4","m270","m272","10.1107/S0108270102003852","","","0.71073","MoKα","","0.0598","0.0433","","","0.1105","0.1216","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012665","17.077","0.002","12.747","0.001","14.422","0.001","90","","93.22","0.01","90","","3134.4","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(isoquinoline-1-carboxylato-κ^2^O,N)(1,10-phenanthroline-κ^2^N,N')zinc(II) dimethylformamide sesquisolvate","","- C36.5 H30.5 N5.5 O5.5 Zn -","- C36.5 H30.5 N5.5 O5.5 Zn -","- C146 H122 N22 O22 Zn4 -","4","1","TR1009","Daran, Jean-Claude; Lemoine, Pascale; Viossat, Bernard","Bis(isoquinoline-1-carboxylato-κ^2^<i>O</i>,<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) dimethylformamide sesquisolvate","Acta Crystallographica Section C","2002","58","4","m210","m212","10.1107/S0108270102001932","","","0.71073","MoKα","","0.04","0.033","","","0.079","0.082","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012666","8.898","0.0002","19.3848","0.0005","17.5894","0.0003","90","","92.302","0.001","90","","3031.48","0.12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine imidato-κ^2^N,N']bis(pyridine-κN)lithium(I)","","- C24 H46 Li N4 P Si2 -","- C24 H46 Li N4 P Si2 -","- C96 H184 Li4 N16 P4 Si8 -","4","0.5","TR1011","Schultz, Madeleine; Straub, Bernd; Hofmann, Peter","[<i>P</i>,<i>P</i>-Di-<i>tert</i>-butyl-<i>N</i>-trimethylsilyl-<i>P</i>-(trimethylsilylamino)phosphine imidato-κ^2^<i>N</i>,<i>N</i>']bis(pyridine-κ<i>N</i>)lithium(I)","Acta Crystallographica Section C","2002","58","4","m256","m257","10.1107/S0108270102002706","","","0.71073","MoKα","","0.088","0.053","","","0.125","0.144","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012667","6.7599","0.0003","13.3609","0.0008","19.024","0.0005","90","","90","","90","","1718.22","0.14","122","1","122","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-Bis(cyano-κC)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)manganese(III) perchlorate","","- C12 H24 Cl Mn N6 O4 -","- C12 H24 Cl Mn N6 O4 -","- C48 H96 Cl4 Mn4 N24 O16 -","4","1","TR1013","Mossin, Susanne; Sørensen, Henning Osholm; Weihe, Høgni","<i>trans</i>-Bis(cyano-κ<i>C</i>)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)manganese(III) perchlorate, a low-spin manganese(III) complex","Acta Crystallographica Section C","2002","58","4","m204","m206","10.1107/S0108270102001713","","","0.71073","MoKα","","0.072","0.058","","","0.148","0.159","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012668","6.4567","0.0001","12.0271","0.0002","10.7163","0.0002","90","","93.8719","0.0005","90","","830.28","0.02","160","1","160","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dispiro[1,3-dithietane-2,2':4,2''-diadamantane]","","- C20 H28 S2 -","- C20 H28 S2 -","- C40 H56 S4 -","2","0.5","TR1020","Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","The dimer, trimer and 1,2,4-trithiolane of adamantanethione","Acta Crystallographica Section C","2002","58","4","o231","o234","10.1107/S0108270102003190","","","0.71073","MoKα","","0.0364","0.0306","","","0.0785","0.0814","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012669","6.6436","0.0001","12.3102","0.0002","15.6057","0.0002","77.0671","0.0005","86.7263","0.0006","77.1671","0.0007","1212.81","0.03","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]","","- C30 H42 S3 -","- C30 H42 S3 -","- C60 H84 S6 -","2","1","TR1020","Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","The dimer, trimer and 1,2,4-trithiolane of adamantanethione","Acta Crystallographica Section C","2002","58","4","o231","o234","10.1107/S0108270102003190","","","0.71073","MoKα","","0.0478","0.0348","","","0.0867","0.0937","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012670","13.3264","0.0002","11.5166","0.0001","12.9233","0.0001","90","","116.064","0.0005","90","","1781.69","0.03","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dispiro[1,2,4-trithiolane-3,2':5,2''-diadamantane]","","- C20 H28 S3 -","- C20 H28 S3 -","- C80 H112 S12 -","4","1","TR1020","Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","The dimer, trimer and 1,2,4-trithiolane of adamantanethione","Acta Crystallographica Section C","2002","58","4","o231","o234","10.1107/S0108270102003190","","","0.71073","MoKα","","0.0495","0.0358","","","0.0896","0.0969","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012671","7.2186","0.0001","5.3462","0.0002","6.2521","0.0003","90","","98.8352","0.0011","90","","238.419","0.015","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu2 H8 O8 P4 -","2","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0355","0.0308","","","0.0658","0.0676","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012672","7.2079","0.0003","5.3216","0.0001","6.2121","0.0002","90","","98.709","0.002","90","","235.534","0.013","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu2 H8 O8 P4 -","2","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0297","0.0269","","","0.0611","0.0622","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012673","5.3259","0.0002","6.272","0.0002","14.259","0.0006","90","","90","","90","","476.31","0.03","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0281","0.0238","","","0.0572","0.0589","","","","","","1.273","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012674","5.3014","0.0002","6.2319","0.0002","14.2427","0.0002","90","","90","","90","","470.55","0.02","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0288","0.0277","","","0.0614","0.0617","","","","","","1.288","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012675","6.6738","0.0006","5.4133","0.0005","7.1954","0.0006","90","","90","","90","","259.95","0.04","270","2","270","2","","","","","","","","4","P m m a","-P 2a 2a","51","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu2 H8 O8 P4 -","2","0.25","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0511","0.0331","","","0.0418","0.0452","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012676","9.9","0.002","9.33","0.002","17.01","0.003","90","","90.23","0.02","90","","1571.2","0.5","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,5-Dimethyl-2-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yloxy]- 1,3,2-dioxaphosphorinane-2-thione","","- C11 H17 N2 O3 P S2 -","- C11 H17 N2 O3 P S2 -","- C44 H68 N8 O12 P4 S8 -","4","1","AV1105","Pop, Mihaela; Borodi, Gheorghe; Goubitz, Kees; Peschar, René; Fraanje, Jan; Fenesan, Ioan; Schenk, Henk","5,5-Dimethyl-2-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yloxy]-1,3,2-dioxaphosphorinane-2-thione","Acta Crystallographica Section C","2002","58","5","o280","o281","10.1107/S0108270102005218","","","1.5418","CuKα","","0.069","0.059","","","0.145","0.154","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012677","18.581","0.0005","12.5906","0.0004","7.4709","0.0002","90","","94.645","0.001","90","","1742.05","0.09","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-3'-(4-bromophenyl)-3'-chlorospiro[1H-indole-3,2'-oxetan]-2(3H)-one","","- C18 H13 Br Cl N O3 -","- C18 H13 Br Cl N O3 -","- C72 H52 Br4 Cl4 N4 O12 -","4","1","AV1106","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","1-Acetyl-3'-(4-bromophenyl)-3'-chlorospiro[3<i>H</i>-indole-3,2'-oxetan]-2(1<i>H</i>)-one","Acta Crystallographica Section C","2002","58","5","o287","o288","10.1107/S0108270102005681","","","0.71073","MoKα","","0.097","0.05","","","0.11","0.12","","","","","","0.812","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012678","14.139","0.001","18.739","0.001","24.473","0.002","90","","90","","90","","6484.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pseudophomin A","β-hydroxydecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile","","- C55 H99 N9 O17 -","- C55 H99 N9 O17 -","- C220 H396 N36 O68 -","4","1","BK1644","Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.","Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a <i>Pseudomonas</i> species","Acta Crystallographica Section C","2002","58","5","o268","o271","10.1107/S0108270102004432","","","1.54178","CuKα","","0.0356","0.0349","","","0.0913","0.092","","","","","","1.09","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012679","14.245","0.002","18.87","0.003","24.558","0.004","90","","90","","90","","6601.3","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pseudophomin B","β-hydroxydodecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile","","- C57 H103 N9 O17 -","- C56.9992 H102.998 N9 O17 -","- C227.997 H411.99 N36 O68 -","4","1","BK1644","Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.","Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a <i>Pseudomonas</i> species","Acta Crystallographica Section C","2002","58","5","o268","o271","10.1107/S0108270102004432","","","1.54178","CuKα","","0.0666","0.0504","","","0.123","0.1339","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2012680","10.738","0.002","6.253","0.002","7.875","0.002","98.3","0.03","108.39","0.03","90.68","0.03","495.6","0.2","173","2","173","2","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","cacodyl cyanide","cyanodimethylarsine","","- C3 H6 As N -","- C3 H6 As N -","- C12 H24 As4 N4 -","4","","BK1648","Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O.","Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine","Acta Crystallographica Section C","2002","58","5","m307","m309","10.1107/S0108270102006030","","","0.71073","MoKα","","0.035","0.033","","","0.089","0.09","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012681","11.313","0.007","6.175","0.004","16.701","0.011","90","","109.673","0.009","90","","1098.6","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cyanodimethylstibine","","- C3 H6 N Sb -","- C3 H6 N Sb -","- C24 H48 N8 Sb8 -","8","1","BK1648","Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O.","Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine","Acta Crystallographica Section C","2002","58","5","m307","m309","10.1107/S0108270102006030","","","0.71073","MoKα","","0.038","0.038","","","0.097","0.097","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012682","12.799","0.004","10.015","0.003","13.168","0.004","90","","115.96","0.04","90","","1517.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-Cyano-10-methylacridinium hydrogen dinitrate","","- C15 H12 N4 O6 -","- C15 H12 N4 O6 -","- C60 H48 N16 O24 -","4","0.5","BM1487","Huta, Olexyj M.; Patsaj, Ihor O.; Konitz, Antoni; Meszko, Joanna; Błażejowski, Jerzy","9-Cyano-10-methylacridinium hydrogen dinitrate","Acta Crystallographica Section C","2002","58","5","o295","o297","10.1107/S0108270102004912","","","0.71073","MoKα","","0.101","0.047","","","0.141","0.169","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012683","8.177","0.005","8.214","0.003","14.456","0.006","84.69","0.03","81.13","0.04","63.53","0.05","858.5","0.8","298","","298","","","","","","","","","7","P -1","-P 1","2","","trans-(2-Acetylpyridine-κ^2^N,O)dichlorobis(dimethyl sulfoxide-κS)ruthenium(II)","","- C11 H19 Cl2 N O3 Ru S2 -","- C11 H19 Cl2 N O3 Ru S2 -","- C22 H38 Cl4 N2 O6 Ru2 S4 -","2","1","BM1490","Pal, Satyanarayan; Pal, Samudranil","<i>trans</i>-(2-Acetylpyridine-κ^2^<i>N</i>,<i>O</i>)dichlorobis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section C","2002","58","5","m273","m274","10.1107/S0108270102003797","","","0.71073","MoKα","","0.052","0.04","","","0.109","0.118","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012684","10.3075","0.0001","10.9284","0.0001","17.3424","0.0002","87.5556","0.0004","88.8661","0.0004","89.3366","0.0005","1951.25","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(5-tert-butylpyrazole-1κN^2^)tetrachloro-1κCl,2κ^3^Cl-μ-oxo- 1:2κ^2^O-diiron(III)","","- C28 H48 Cl4 Fe2 N8 O -","- C28 H48 Cl4 Fe2 N8 O -","- C56 H96 Cl8 Fe4 N16 O2 -","2","1","BM1491","Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.","Tetrakis(5-<i>tert</i>-butylpyrazole-1κ<i>N</i>^2^)tetrachloro-1κ<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxo-1:2κ^2^<i>O</i>-diiron(III)","Acta Crystallographica Section C","2002","58","5","m290","m291","10.1107/S0108270102004948","","","0.71073","MoKα","","0.038","0.033","","","0.087","0.091","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012685","8.096","0.004","21.282","0.011","9.281","0.005","90","","95.28","0.04","90","","1592.3","1.4","178","2","178","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,16-bis(methoxycarbonyl)[2.2]paracyclophane","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","BM1493","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes","Acta Crystallographica Section C","2002","58","5","o301","o304","10.1107/S0108270102005140","","","0.71073","MoKα","","0.051","0.041","","","0.108","0.119","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012686","7.47","0.003","11.287","0.004","9.494","0.003","90","","90.83","0.03","90","","800.4","0.5","178","2","178","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,15-bis(methoxycarbonyl)[2.2]paracyclophane","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","BM1493","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes","Acta Crystallographica Section C","2002","58","5","o301","o304","10.1107/S0108270102005140","","","0.71073","MoKα","","0.045","0.036","","","0.09","0.096","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012687","8.699","0.002","11.79","0.003","7.628","0.002","90","","91.9","0.02","90","","781.9","0.3","178","2","178","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,12-bis(methoxycarbonyl)[2.2]paracyclophane","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","0.5","BM1493","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes","Acta Crystallographica Section C","2002","58","5","o301","o304","10.1107/S0108270102005140","","","0.71073","MoKα","","0.062","0.045","","","0.116","0.131","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012688","9.9511","0.0012","7.6156","0.001","13.5616","0.0016","90","","109.104","0.003","90","","971.1","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-bromo-N,N-dimethylanilinium bromide","","- C8 H11 Br2 N -","- C8 H11 Br2 N -","- C32 H44 Br8 N4 -","4","1","BM1494","Jones, Peter G.; Gray, Lilian","Secondary interactions in 4-bromo-<i>N</i>,<i>N</i>-dimethylanilinium bromide","Acta Crystallographica Section C","2002","58","5","o282","o283","10.1107/S0108270102004882","","","0.71073","MoKα","","0.023","0.018","","","0.042","0.043","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012689","15.6621","0.0009","8.9873","0.0004","31.196","0.002","90","","100.761","0.007","90","","4313.9","0.4","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Te Tl2 -","- Te Tl2 -","- Te44 Tl88 -","44","5.5","BR1351","Radovan Černý; Jean-Marc Joubert; Yaroslav Filinchuk; Yves Feutelais","Tl~2~Te and its relationship with Tl~5~Te~3~","Acta Crystallographica Section C","2002","58","5","i63","i65","10.1107/S0108270102005085","","","0.71073","MoKα","","","0.107","","0.188","0.18","","","","","","","2.372","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012690","5.3145","0.0002","10.6234","0.0005","14.7782","0.0007","90","","90","","90","","834.35","0.06","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","γ sodium gallate","","- Ga Na O2 -","- Ga Na O2 -","- Ga16 Na16 O32 -","16","2","BR1357","Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón","γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction","Acta Crystallographica Section C","2002","58","5","i69","i70","10.1107/S0108270102003049","","","1.54056","CuKα~1~","","","","","","","","","","1.48","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012691","11.865","0.004","12.117","0.003","6.467","0.002","90","","113.82","0.03","90","","850.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver trinickel phosphate bis(hydrogenphosphate)","","- Ag H2 Ni3 O12 P3 -","- Ag H2 Ni3 O12 P3 -","- Ag4 H8 Ni12 O48 P12 -","4","0.5","BR1359","Ben Smail, Ridha; Jouini, Tahar","AgNi~3~(PO~4~)(HPO~4~)~2~: an alluaudite-like structure","Acta Crystallographica Section C","2002","58","5","i61","i62","10.1107/S0108270102003153","","","0.71069","MoKα","","0.02","0.02","","","0.051","0.051","","","","","","1.206","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012692","12.773","0.003","7.529","0.002","7.108","0.002","90","","104.37","0.02","90","","662.2","0.3","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Rubidium diniobium tris(disulfide) tetrathiophosphate","","- Nb2 P Rb S10 -","- Nb2 P Rb S10 -","- Nb4 P2 Rb2 S20 -","2","1","BR1362","Changkeun Kim; Hoseop Yun","A new quaternary thiophosphate, RbNb~2~(S~2~)~3~(PS~4~)","Acta Crystallographica Section C","2002","58","5","i53","i54","10.1107/S0108270102004316","","","0.71073","MoKα","","0.039","0.039","","","0.114","0.114","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012693","7.9481","0.0002","11.3472","0.0003","6.0425","0.0003","90","","90","","90","","544.97","0.03","292","1","291","","10000","","","","","","","5","P n a 21","P 2c -2n","33","","bis(ammonium) fluorophosphate","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","BR1363","Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl","Bis(ammonium) fluorophosphate at room temperature","Acta Crystallographica Section C","2002","58","5","i66","i68","10.1107/S010827010200553X","","","0.71073","MoKα","","0.023","0.022","","","0.031","0.031","","","","1.79","1.79","1.76","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012694","7.837","0.002","24.074","0.009","9.543","0.002","90","","102.87","0.02","90","","1755.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Acetylamino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylic acid ethyl ester","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","DE1181","Damodharan, Lakshminarasimhan; Shamaladevi, Nagarajarao; Pattabhi, Vasantha; Behera, Manoranjan; Kotha, Sambasivarao","Ethyl 6-acetylamino-6,7-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>c</i>]cycloheptene-6-carboxylate","Acta Crystallographica Section C","2002","58","5","o266","o267","10.1107/S0108270102004687","","","1.5418","CuKα","","0.124","0.08","","","0.222","0.262","","","","","","1.048","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012695","22.4188","0.0001","22.4188","0.0001","11.9764","0.0001","90","","90","","90","","6019.37","0.06","279","2","279","2","","","","","","","","6","I -4","I -4","82","","Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I)","","- C26 H21 Mn O11 S3 Sn -","- C26 H21 Mn O11 S3 Sn -","- C208 H168 Mn8 O88 S24 Sn8 -","8","1","FG1638","Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.","Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure","Acta Crystallographica Section C","2002","58","5","m297","m299","10.1107/S0108270102004377","","","1.54178","CuKα","","0.035","0.033","","","0.081","0.082","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012696","10.0225","0.0014","14.862","0.002","10.0873","0.0014","90","","110.758","0.011","90","","1405","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-3-oxo-11α(H)-eudesm-4-en-12-oic acid","(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2- naphthyl)propionic acid","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","FR1365","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid keto acid","Acta Crystallographica Section C","2002","58","5","o251","o253","10.1107/S0108270102004365","","","0.71073","MoKα","","0.061","0.042","","","0.096","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012697","8.6648","0.001","9.963","0.0016","11.1996","0.0011","91.083","0.009","109.199","0.005","109.571","0.01","851.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Di-2-pyridyl ketone p-aminobenzoylhydrazone hydrate","4-Amino-2'-(di-2-pyridylmethylene)benzohydrazide hydrate","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C36 H34 N10 O4 -","2","1","GD1194","Bakir, Mohammed; Orville Green","Di-2-pyridyl ketone <i>p</i>-aminobenzoylhydrazone hydrate","Acta Crystallographica Section C","2002","58","5","o263","o265","10.1107/S0108270102004511","","","0.71073","MoKα","","0.172","0.05","","","0.094","0.124","","","","","","0.947","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012698","8.941","0.002","9.732","0.002","10.9449","0.001","110.058","0.014","93.437","0.013","109.012","0.019","829.8","0.3","293","2","","","","","","","","","","6","P -1","-P 1","2","","trans-Bis[3-(2-fluorophenyl)-1-(4-nitrophenyl)triazenido-κN^3^]bis(pyridine- κN)palladium(II)","","- C34 H26 F2 N10 O4 Pd -","- C34 H26 F2 N10 O4 Pd -","- C34 H26 F2 N10 O4 Pd -","1","0.5","GD1195","Hörner, Manfredo; Visentin, Lorenzo do C.; Dahmer, Marisa; Bordinhao, Jairo","<i>trans</i>-Bis[3-(2-fluorophenyl)-1-(4-nitrophenyl)triazenido-κ<i>N</i>^3^]bis(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","5","m286","m287","10.1107/S0108270102004602","","","0.71073","MoKα","","","0.045","","","","0.105","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012699","8.1392","0.0004","8.4351","0.0004","11.3852","0.0006","77.951","0.003","81.192","0.002","70.681","0.002","718.39","0.06","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","3-methyl-1,4-diphenyl-1H-pyrazolo-(3,4-b)pyridine","","- C19 H15 N3 -","- C19 H15 N3 -","- C38 H30 N6 -","2","1","GD1203","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","C—H···π and π‒π interactions in the supramolecular structure of 3-methyl-1,4-diphenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section C","2002","58","5","o298","o300","10.1107/S0108270102006340","","","0.71073","MoKα","","0.1325","0.0525","","","0.0976","0.1229","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012700","9.0072","0.0007","9.7391","0.0006","15.5818","0.0011","75.407","0.003","85.574","0.003","81.367","0.004","1306.68","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","penta-μ-cyano-tricyanotris(ethylenediamine)dicopper(II)tungsten(IV) tetrahydrate","","- C14 H32 Cu2 N14 O4 W -","- C14 H24 Cu2 N14 O4 W -","- C28 H48 Cu4 N28 O8 W2 -","2","1","GG1099","Li, Dong-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu; Tang, Wen-Xia","A three-dimensional Cu^II^‒W^IV^ bimetallic porous assembly containing a zigzag ladder structure","Acta Crystallographica Section C","2002","58","5","m280","m282","10.1107/S0108270102004298","","","0.71073","MoKα","","0.029","0.026","","","0.06","0.061","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012701","9.818","0.002","9.402","0.002","12.571","0.004","90","","93.8","0.02","90","","1157.9","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N',N'',N'''-Tetraethylbenzene-1,4-dicarboxamidinium bis(tetrazolate)","","- C18 H30 N12 -","- C18 H30 N12 -","- C36 H60 N24 -","2","0.5","GG1105","Kraft, Arno; Peters, Lars; Fröhlich, Roland","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Tetraethylterephthalamidinium bis(tetrazolate)","Acta Crystallographica Section C","2002","58","5","o272","o274","10.1107/S0108270102004730","","","1.54178","CuKα","","0.059","0.047","","","0.128","0.137","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012702","9.585","0.002","15.51","0.002","15.865","0.002","90","","114.198","0.011","90","","2151.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,6‒Bis((dimethylamino‒κN)methyl)phenyl‒κC]iodopalladium(II) bis(diiodine)","","- C12 H19 I5 N2 Pd -","- C12 H19 I5 N2 Pd -","- C48 H76 I20 N8 Pd4 -","4","1","GG1107","Mills, Allison M.; Beek, Johannus A. M. van; Koten, Gerard van; Spek, Anthony L.","{2,6-Bis[(dimethylamino-κ<i>N</i>)methyl]phenyl-κ<i>C</i>}iodopalladium(II) bis(diiodine)","Acta Crystallographica Section C","2002","58","5","m304","m306","10.1107/S0108270102005620","","","0.71073","MoKα","","0.0476","0.0397","","","0.0999","0.1036","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012703","8.5292","0.0012","10.7291","0.0016","11.0469","0.0016","109.417","0.002","91.555","0.003","110.945","0.003","878.1","0.2","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","2-Phenyl-5-p-tolyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline","","- C23 H21 N3 -","- C23 H21 N3 -","- C46 H42 N6 -","2","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.06","0.052","","","0.141","0.146","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012704","8.511","0.0002","10.7015","0.0003","11.0357","0.0003","110.036","0.002","92.1613","0.0015","110.328","0.001","871.37","0.04","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","5-(4-Bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline","","- C22 H18 Br N3 -","- C22 H18 Br N3 -","- C44 H36 Br2 N6 -","2","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.046","0.037","","","0.087","0.091","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012705","21.2115","0.0003","11.1385","0.0002","17.5948","0.0004","90","","122.427","0.001","90","","3508.84","0.12","120","1","120","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)-5-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline","","- C22 H18 Cl N3 -","- C22 H18 Cl N3 -","- C176 H144 Cl8 N24 -","8","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.059","0.047","","","0.121","0.13","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012706","5.556","0.0001","12.2526","0.0002","14.0827","0.0003","77.923","0.0009","83.006","0.0008","87.814","0.001","930.41","0.03","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","5-(4-Bromophenyl)-2-(4-chlorophenyl)-1,5,6,10b-tetrahydropyrazolo[1,5-c] quinazoline","","- C22 H17 Br Cl N3 -","- C22 H17 Br Cl N3 -","- C44 H34 Br2 Cl2 N6 -","2","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.042","0.034","","","0.076","0.08","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012707","6.1072","0.0004","26.0105","0.0014","7.138","0.0005","90","","101.416","0.009","90","","1111.45","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bipyridinium hexafluorophosphate","2,2'-Bipyridinium hexafluorophosphate","","- C10 H9 F6 N2 P -","- C10 H9 F6 N2 P -","- C40 H36 F24 N8 P4 -","4","1","JZ1500","Kraus, Florian; Breu, Josef","Arene‒arene stacking in the revised structure of 2,2'-bipyridinium hexafluorophosphate","Acta Crystallographica Section C","2002","58","5","o254","o256","10.1107/S0108270102003955","","","0.71073","MoKα","","0.035","0.029","","","0.087","0.091","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012708","6.7262","0.0006","6.5427","0.0004","19.8","0.002","90","","93.444","0.004","90","","869.78","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Polymeric aqua(nitrilotriacetato)erbium(III)","","- C6 H8 Er N O7 -","- C6 H8 Er N O7 -","- C24 H32 Er4 N4 O28 -","4","1","LN1137","Wu, Chuan-De; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun","Polymeric aqua(nitrilotriacetato)erbium(III)","Acta Crystallographica Section C","2002","58","5","m283","m285","10.1107/S010827010200464X","","","0.71073","MoKα","","0.038","0.032","","","0.067","0.072","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012709","9.2688","0.0017","10.455","0.0018","11.349","0.002","112.462","0.003","94.924","0.002","113.908","0.002","890.6","0.3","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","catena-poly-[[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-benzene- 1,4-dicarboxylato-κ^2^O^1^,O^4^]","","- C20 H14 Co N2 O5 -","- C20 H14 Co N2 O5 -","- C40 H28 Co2 N4 O10 -","2","1","NA1551","Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O","Acta Crystallographica Section C","2002","58","5","m275","m279","10.1107/S0108270102004341","","","0.71073","MoKα","","0.077","0.037","","","0.054","0.06","","","","","","0.876","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012710","9.009","0.004","9.289","0.003","11.171","0.006","99.11","0.04","106.64","0.04","92.39","0.03","880.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly-[[[(di-2-pyridyl-κN-amine)copper(II)]-μ-benzene-1,4- dicarboxylato-κ^4^O^1^,O^1'^,O^4^,O^4'^] hydrate]","","- C18 H15 Cu N3 O5 -","- C18 H15 Cu N3 O5 -","- C36 H30 Cu2 N6 O10 -","2","1","NA1551","Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O","Acta Crystallographica Section C","2002","58","5","m275","m279","10.1107/S0108270102004341","","","0.71069","MoKα","","0.062","0.039","","","0.094","0.1","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012711","12.8969","0.0003","8.5064","0.0001","13.0472","0.0003","90","","109.803","0.001","90","","1346.71","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[1-(Phenylsulfonyl)ethyl]benzoic acid","","- C15 H14 O4 S -","- C15 H14 O4 S -","- C60 H56 O16 S4 -","4","1","NA1557","Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim","2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid","Acta Crystallographica Section C","2002","58","5","o257","o259","10.1107/S0108270102004389","","","0.71073","MoKα","","0.069","0.049","","","0.117","0.124","","","","","","0.938","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012712","7.4805","0.001","7.5125","0.0009","14.4853","0.0018","94.634","0.009","91.807","0.001","116.02","0.008","727.09","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[1-(Phenylsulfonyl)propyl]benzoic acid","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C32 H32 O8 S2 -","2","1","NA1557","Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim","2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid","Acta Crystallographica Section C","2002","58","5","o257","o259","10.1107/S0108270102004389","","","0.71073","MoKα","","0.056","0.04","","","0.098","0.107","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012713","15.0582","0.0003","11.3915","0.0003","15.8945","0.0003","90","","109.595","0.001","90","","2568.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol- 3-yl}acrylate","","- C28 H27 N3 O4 S -","- C28 H27 N3 O4 S -","- C112 H108 N12 O16 S4 -","4","1","NA1558","Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.","Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol-3-yl}acrylate","Acta Crystallographica Section C","2002","58","5","o277","o279","10.1107/S0108270102005152","","","0.71073","MoKα","","0.163","0.068","","","0.152","0.187","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012714","9.094","0.002","12.575","0.002","8.352","0.001","93.03","0.03","115.84","0.03","93.97","0.03","853.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Tos-Aib-OSu","N^α^-para-toluenesulphonyl-α-aminoisobutyric acid N-oxysuccinimido ester","","- C15 H18 N2 O6 S -","- C15 H18 N2 O6 S -","- C30 H36 N4 O12 S2 -","2","1","NA1559","Crisma, Marco; Toniolo, Claudio","Reactive intermediates in peptide synthesis: the <i>N</i>-oxysuccinimido ester of <i>N</i>^{α^}-<i>para</i>-toluenesulfonyl-α-aminoisobutyric acid","Acta Crystallographica Section C","2002","58","5","o275","o276","10.1107/S0108270102004717","","","0.71073","MoKα","","0.0829","0.0435","","","0.1164","0.1416","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012715","4.5819","0.0006","10.0867","0.0013","18.087","0.002","90","","90","","90","","835.91","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 O4 P -","- C7 H9 O4 P -","- C28 H36 O16 P4 -","4","1","NA1560","Aragoni, M. Carla; Arca, Massimiliano; Blake, Alexander J.; Lippolis, Vito; Schröder, Martin; Wilson, Claire","4-Methoxyphenylphosphonic acid: reactivity of Lawesson's reagent","Acta Crystallographica Section C","2002","58","5","o260","o262","10.1107/S0108270102004547","","","0.71073","MoKα","","0.0616","0.0416","","","0.0881","0.0942","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012716","15.6152","0.001","9.1842","0.0006","17.792","0.0011","90","","90.83","0.002","90","","2551.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O2 S -","- C12 H12 N4 O2 S -","- C96 H96 N32 O16 S8 -","8","2","NA1564","Low, John N.; Quesada, Antonio; Marchal, Antonio; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","4-Amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine: hydrogen-bonded dimers linked into π-stacked chains","Acta Crystallographica Section C","2002","58","5","o284","o286","10.1107/S0108270102005735","","","0.71073","MoKα","","0.0507","0.0365","","","0.0962","0.1011","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012717","13.423","0.003","13.561","0.003","19.156","0.004","90","","106.83","0.03","90","","3337.6","1.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(η^3^-Allyl-2κ^3^C)(chloro-1κCl)(μ-N,N'-diethyldithioxamidato- 1:2κ^4^S,S':N,N')[diphenyl(2-pyridyl)phosphine-1κP]palladium(II)platinum(II) chloroform solvate","","- C27 H30 Cl4 N3 P Pd Pt S2 -","- C27 H30 Cl4 N3 P Pd Pt S2 -","- C108 H120 Cl16 N12 P4 Pd4 Pt4 S8 -","4","1","NA1566","Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe","(η^3^-Allyl-2κ^3^<i>C</i>)(chloro-1κ<i>Cl</i>)(μ-<i>N</i>,<i>N</i>'-diethyldithioxamidato-1:2κ^4^<i>S</i>,<i>S</i>':<i>N</i>,<i>N</i>')[diphenyl(2-pyridyl)phosphine-1κ<i>P</i>]palladium(II)platinum(II) chloroform solvate","Acta Crystallographica Section C","2002","58","5","m316","m318","10.1107/S0108270102006303","","","0.71073","MoKα","","0.088","0.041","","","0.082","0.089","","","","","","0.801","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012718","14.052","0.006","10.192","0.005","14.047","0.006","90","","90","","90","","2011.8","1.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichlorobis(2-methylquinoline N-oxide-κO)zinc(II)","","- C20 H18 Cl2 N2 O2 Zn -","- C20 H18 Cl2 N2 O2 Zn -","- C80 H72 Cl8 N8 O8 Zn4 -","4","0.5","SK1538","Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik","Dichlorobis(2-methylquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) from powder data","Acta Crystallographica Section C","2002","58","5","m300","m301","10.1107/S0108270102005292","","","1.54056","CuKα~1~","","","","","","","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012719","13.389","0.003","7.146","0.001","19.473","0.004","90","","108.57","0.03","90","","1766.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly-[[bis(cis-1-tert-butyltetrazole-κN^4^)copper(II)]-di-μ-chloro]","","- C10 H20 Cl2 Cu N8 -","- C10 H20 Cl2 Cu N8 -","- C40 H80 Cl8 Cu4 N32 -","4","1","SK1540","Ivashkevich, Dmitry O.; Degtyarik, Mikhail M.; Gaponik, Pavel N.; Lyakhov, Alexander S.","<i>catena</i>-Poly[[bis(<i>cis</i>-1-<i>tert</i>-butyltetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro]","Acta Crystallographica Section C","2002","58","5","m288","m289","10.1107/S0108270102004754","","","0.71069","MoKα","","0.058","0.043","","","0.117","0.127","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012720","10.2753","0.001","11.1003","0.001","15.6822","0.0015","70.406","0.01","82.483","0.01","74.161","0.01","1619.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquatetrakis(trimethylphosphine oxide-κO)cerium(III) trichloride trihydrate","","- C12 H50 Ce Cl3 O11 P4 -","- C12 H50 Ce Cl3 O11 P4 -","- C24 H100 Ce2 Cl6 O22 P8 -","2","1","SK1541","Hill, Nicholas J.; Leung, Lai-Shi; Levason, William; Webster, Michael","Tetraaquatetrakis(trimethylphosphine oxide-κ<i>O</i>)cerium(III) trichloride trihydrate","Acta Crystallographica Section C","2002","58","5","m295","m296","10.1107/S0108270102004766","","","0.71073","MoKα","","0.032","0.027","","","0.061","0.064","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012721","12.3971","0.0005","8.3608","0.0005","14.5237","0.0007","90","","106.585","0.003","90","","1442.75","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4,6-dimethoxypyrimidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C48 H72 N24 O16 -","8","1","SK1546","Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(<i>N</i>-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer","Acta Crystallographica Section C","2002","58","5","o289","o294","10.1107/S0108270102005632","","","0.71073","MoKα","","0.087","0.049","","","0.115","0.132","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012722","5.8083","0.0006","12.3104","0.0013","15.726","0.0016","68.549","0.002","85.978","0.002","82.737","0.002","1037.81","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Benzylamino-4,6-bis(benzyloxy)pyrimidine","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C50 H46 N6 O4 -","2","1","SK1546","Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(<i>N</i>-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer","Acta Crystallographica Section C","2002","58","5","o289","o294","10.1107/S0108270102005632","","","0.71073","MoKα","","0.056","0.041","","","0.105","0.111","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012723","12.5654","0.0008","13.2735","0.0008","14.2279","0.0009","90","","93.09","0.002","90","","2369.6","0.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-bis(N-pyrrolidino)pyrimidine","","- C12 H19 N5 -","- C12 H19 N5 -","- C96 H152 N40 -","8","1","SK1546","Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(<i>N</i>-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer","Acta Crystallographica Section C","2002","58","5","o289","o294","10.1107/S0108270102005632","","","0.71073","MoKα","","0.048","0.041","","","0.113","0.117","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012724","13.2963","0.0002","13.2963","0.0002","20.6366","0.0005","90","","90","","90","","3648.38","0.12","150","1","150","1","","","","","","","","5","P 41","P 4w","76","","bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)","","- C40 H44 Cu2 N4 O4 -","- C40 H44 Cu2 N4 O4 -","- C160 H176 Cu8 N16 O16 -","4","1","SK1547","Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko","Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes","Acta Crystallographica Section C","2002","58","5","m313","m315","10.1107/S0108270102006297","","","0.71073","MoKα","","0.084","0.046","","","0.094","0.108","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012725","13.3288","0.0002","13.3288","0.0002","20.5834","0.0007","90","","90","","90","","3656.78","0.15","150","1","150","1","","","","","","","","5","P 43","P 4cw","78","","bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)","","- C40 H44 Cu2 N4 O4 -","- C40 H44 Cu2 N4 O4 -","- C160 H176 Cu8 N16 O16 -","4","1","SK1547","Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko","Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes","Acta Crystallographica Section C","2002","58","5","m313","m315","10.1107/S0108270102006297","","","0.71073","MoKα","","0.113","0.049","","","0.081","0.098","","","","","","0.956","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012726","12.9408","0.0007","15.5347","0.0008","17.5303","0.0009","90","","92.092","0.001","90","","3521.8","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^N:S^2^;1:2κ^4^S^2^:N- dichloro-1κCl,2κCl-dirhenium(III)(Re-Re) dichloromethane solvate","","- C29 H18 Cl4 N4 Re2 S8 -","- C29 H18 Cl4 N4 Re2 S8 -","- C116 H72 Cl16 N16 Re8 S32 -","4","1","TA1364","Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.","Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^<i>N</i>:<i>S</i>^2^;1:2κ^4^<i>S</i>^2^:<i>N</i>-dichloro-1κ<i>Cl</i>,2κ<i>Cl</i>-dirhenium(III)(<i>Re</i>—<i>Re</i>) dichloromethane solvate: a bridged complex with a long Re—Re quadruple bond","Acta Crystallographica Section C","2002","58","5","m292","m294","10.1107/S0108270102004249","","","0.71073","MoKα","","0.038","0.025","","","0.047","0.051","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012727","15.5374","0.0007","20.7751","0.0009","22.3924","0.001","90","","90","","90","","7228.1","0.6","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pentachloro-1κ^3^Cl,2κ^2^Cl-tris(diethylphenylphosphino)-1κP,2κ^2^P- dirhenium(II,III)(Re—Re)","","- C30 H45 Cl5 P3 Re2 -","- C30 H45 Cl5 P3 Re2 -","- C240 H360 Cl40 P24 Re16 -","8","1","TA1365","Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.","Pentachloro-1,3,6-tris(diethylphenylphosphino)dirhenium(II,III)","Acta Crystallographica Section C","2002","58","5","m302","m303","10.1107/S0108270102005644","","","0.71073","MoKα","","0.0586","0.031","","","0.0441","0.0484","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012728","11.732","0.004","18.415","0.006","13.703","0.005","90","","92.842","0.005","90","","2956.8","1.8","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,2'-methyliminodiethanolato)-1κ^3^O,N,O';3κ^3^O,N,O'-di-μ~3~-propane- 1,3-diolato-1:2:3-κ^4^O:O,O':O'-μ-propane-1,3-diolato-1:3κ^2^O:O'-propane- 1,3-diolato-2κ^2^O,O'-trititanium(IV)","","- C22 H46 N2 O12 Ti3 -","- C22 H46 N2 O12 Ti3 -","- C88 H184 N8 O48 Ti12 -","4","1","TA1372","Kemmitt, Tim; Gainsford, Graeme J.; Robson-Marsden, Hana","Multiple bridging modes in a novel trinuclear titanium 1,3-dioxypropane compound, Ti~3~(methyliminodiethanolate)~2~(1,3-propanediolate)~4~","Acta Crystallographica Section C","2002","58","5","m310","m312","10.1107/S0108270102006273","","","0.71073","MoKα","","0.063","0.044","","","0.108","0.121","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012729","15.684","0.004","8.64","0.002","14.916","0.004","90","","104.528","0.005","90","","1956.6","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Dichlorobis(N-propylimidazolidine-S)cobalt(II)","","- C12 H24 Cl2 Co N4 S2 -","- C12 H24 Cl2 Co N4 S2 -","- C48 H96 Cl8 Co4 N16 S8 -","4","1","TR1016","Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Piso, José; García-Vázquez, José Arturo","Dichlorobis(1-propylimidazolidine-2-thione-κ<i>S</i>)cobalt(II)","Acta Crystallographica Section C","2002","58","5","m319","m322","10.1107/S0108270102006285","","","0.71073","MoKα","","0.1751","0.0485","","","0.1304","0.1733","","","","","","0.857","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012730","14.596","0.001","14.753","0.001","28.531","0.004","90","","90","","90","","6143.7","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 N O7 Si -","- C32 H39 N O7 Si -","- C256 H312 N8 O56 Si8 -","8","1","BK1630","Hadimani, Mallinath B.; Kessler, Raymond J.; Kautz, Jason A.; Ghatak, Anjan; Shirali, Anupama R.; O'Dell, Heather; Garner, Charles M.; Pinney, Kevin G.","2-(3-<i>tert</i>-Butyldimethylsiloxy-4-methoxyphenyl)-6-methoxy-3-(3,4,5-trimethoxybenzoyl)indole","Acta Crystallographica Section C","2002","58","6","o330","o332","10.1107/S0108270102003669","","","0.71073","MoKα","","0.0877","0.0483","","","0.0968","0.1273","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012731","6.58","0.001","9.186","0.001","4.8966","0.0007","91.52","0.01","103.52","0.01","74.78","0.01","277.48","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","(±)-tartaric acid","(2R/S,3R/S)-dihydroxy-1,4-butanedioic acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","BK1636","Luner, Paul E.; Patel, Aditya D.; Swenson, Dale C.","(±)-Tartaric acid","Acta Crystallographica Section C","2002","58","6","o333","o335","10.1107/S0108270102006650","","","0.71073","MoKα","","0.0394","0.0331","","","0.0953","0.1012","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012732","7.18","0.004","8.43","0.005","12.688","0.01","90","","101.46","0.08","90","","752.7","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-O-β-D-glucopyranosyl-α-L-rhamnopyranoside","","- C13 H24 O10 -","- C13 H24 O10 -","- C26 H48 O20 -","2","1","BM1489","Eriksson, Lars; Stenutz, Roland; Widmalm, Göran","Methyl 2-<i>O</i>-β-<small>D</small>-glucopyranosyl-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section C","2002","58","6","o328","o329","10.1107/S0108270102005905","","","0.71073","MoKα","","0.049","0.037","","","0.085","0.087","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012733","10.1284","0.0008","11.8155","0.001","12.5299","0.001","110.852","0.002","93.855","0.002","96.043","0.002","1384.6","0.2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide","","- C25 H23 I3 O2 P2 -","- C25 H23 I3 O2 P2 -","- C50 H46 I6 O4 P4 -","2","1","BM1492","Boraei, Ahmed A.; du Mont, Wolf-W.; Ruthe, Frank; Jones, Peter G.","Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide","Acta Crystallographica Section C","2002","58","6","o318","o320","10.1107/S0108270102005930","","","0.71073","MoKα","","0.044","0.035","","","0.089","0.093","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012734","8.609","0.002","14.232","0.003","14.752","0.003","90","","97.5","0.02","90","","1792","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II)","","- C21 H26 Ru -","- C21 H26 Ru -","- C84 H104 Ru4 -","4","1","BM1496","Jones, Peter G.; Hartig, Thorsten; Hopf, Henning","Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)","Acta Crystallographica Section C","2002","58","6","m347","m350","10.1107/S0108270102008090","","","0.71073","MoKα","","0.037","0.024","","","0.052","0.056","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012735","11.648","0.002","14.757","0.003","13.798","0.003","90","","103.134","0.015","90","","2309.7","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(η^5^-[2](4,7)indeno[2]paracyclophanyl)(η^5^-pentamethylcyclopentadienyl) ruthenium(II)","","- C29 H32 Ru -","- C29 H32 Ru -","- C116 H128 Ru4 -","4","1","BM1496","Jones, Peter G.; Hartig, Thorsten; Hopf, Henning","Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)","Acta Crystallographica Section C","2002","58","6","m347","m350","10.1107/S0108270102008090","","","0.71073","MoKα","","0.029","0.021","","","0.055","0.058","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012736","12.62","0.003","17.026","0.004","13.005","0.003","90","","95.92","0.02","90","","2779.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bis(η^5^-[2](4,7)indeno[2]paracyclophanyl)ruthenium(II)","","- C38 H34 Ru -","- C38 H34 Ru -","- C152 H136 Ru4 -","4","1","BM1496","Jones, Peter G.; Hartig, Thorsten; Hopf, Henning","Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)","Acta Crystallographica Section C","2002","58","6","m347","m350","10.1107/S0108270102008090","","","0.71073","MoKα","","0.039","0.029","","","0.073","0.079","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012737","7.147","0.008","12.283","0.014","14.016","0.016","90","","90.49","0.07","90","","1230","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lithium Barium Diphosphate","Dilithium barium diphosphate","","- Ba Li2 O7 P2 -","- Ba Li2 O7 P2 -","- Ba8 Li16 O56 P16 -","8","1","BR1355","Dridi, Nezha; Arbib, E.; Boukhari, Ali; Holt, Elizabeth M.","Dilithium barium diphosphate","Acta Crystallographica Section C","2002","58","6","i74","i75","10.1107/S0108270102006741","","","0.71073","MoKα","","0.071","0.062","","","0.185","0.189","","","","","","1.489","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012738","5.345","0.001","26.62","0.004","6.559","0.001","90","","107.28","0.01","90","","891.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Sodium hexamanganese bis(diphosphate) triphosphate","Sodium hexamanganese bis(diphosphate) triphosphate","","- Mn6 Na O24 P7 -","- Mn6 Na O24 P7 -","- Mn12 Na2 O48 P14 -","2","0.5","BR1364","Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.","NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)","Acta Crystallographica Section C","2002","58","6","i76","i78","10.1107/S0108270102006753","","","0.71073","MoKα","","0.09","0.05","","","0.076","0.088","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012739","5.479","0.001","27.112","0.006","6.769","0.001","90","","107.11","0.02","90","","961","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Potassium hexacadmium bis(diphosphate) triphosphate","Potassium hexacadmium bis(diphosphate) triphosphate","","- Cd6 K O24 P7 -","- Cd6 K O24 P7 -","- Cd12 K2 O48 P14 -","2","0.5","BR1364","Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.","NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)","Acta Crystallographica Section C","2002","58","6","i76","i78","10.1107/S0108270102006753","","","0.71073","MoKα","","0.048","0.04","","","0.117","0.124","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012740","5.2465","0.0006","5.2465","0.0006","23.702","0.003","90","","90","","120","","565.01","0.12","295","","295","","","","","","","","","4","R -3 m :H","-R 3 2""","166","hydrocerussite","lead carbonate hydroxide","","- C2 H2 O8 Pb3 -","- C2 O7.9998 Pb2.99996 -","- C6 O23.9994 Pb8.99988 -","3","0.0833333","BR1365","Martinetto, Pauline; Anne, Michel; Dooryhée, Eric; Walter, Philippe; Tsoucaris, Georges","Synthetic hydrocerussite, 2PbCO~3~·Pb(OH)~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2002","58","6","i82","i84","10.1107/S0108270102006844","","","0.35324","synchrotron","","","","","","","","","","1.66","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012741","15.4727","0.0012","7.782","0.0009","6.5009","0.0007","90","","90","","90","","782.76","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","potassium zinc hydrogen pyrophosphate dihydrate","","- H5 K O9 P2 Zn -","- H5 K O9 P2 Zn -","- H20 K4 O36 P8 Zn4 -","4","0.5","BR1366","Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose","KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures","Acta Crystallographica Section C","2002","58","6","i79","i81","10.1107/S0108270102007394","","","0.71073","MoKα","","0.0278","0.0252","","","0.0645","0.0661","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012742","15.7186","0.0005","7.8706","0.0005","6.5297","0.0005","90","","90","","90","","807.82","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","potassium manganese(II) hydrogenpyrophosphate dihydrate","","- H5 K Mn O9 P2 -","- H5 K Mn O9 P2 -","- H20 K4 Mn4 O36 P8 -","4","0.5","BR1366","Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose","KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures","Acta Crystallographica Section C","2002","58","6","i79","i81","10.1107/S0108270102007394","","","0.71073","MoKα","","0.0316","0.0241","","","0.0586","0.0613","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012743","9.3025","0.0008","9.3025","0.0008","25.9412","0.0018","90","","90","","120","","1944.1","0.3","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","Niobium chloride","Dipotassium strontium hexaniobium octadecachloride","","- Cl18 K2 Nb6 Sr -","- Cl18 K2 Nb6 Sr -","- Cl54 K6 Nb18 Sr3 -","3","0.166667","BR1367","Duraisamy, Thirumalai; Lachgar, Abdessadek","K~2~SrNb~6~Cl~18~, dipotassium strontium hexaniobium octadecachloride","Acta Crystallographica Section C","2002","58","6","i85","i86","10.1107/S010827010200687X","","","0.71073","MoKα","","0.0425","0.0307","","","0.0672","0.0725","","","","","","0.897","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012744","9.729","0.002","9.823","0.002","19.392","0.004","81.92","0.03","80.28","0.03","80.34","0.03","1788.7","0.7","200","3","200","3","","","","","","","","5","P -1","-P 1","2","","Hexaaquadodeca-μ-bromo-octahedro-hexatantalum bromide chloride octahydrate","","- Br12.4 Cl1.6 H28 O14 Ta6 -","- Br12.397 Cl1.603 O14 Ta6 -","- Br24.794 Cl3.206 O28 Ta12 -","2","1","BR1370","Vojnović, Marija; Perić, Berislav; Planinić, Pavica; Giester, Gerald; Brničević, Nevenka","Hexaaquadodeca-μ-bromo-<i>octahedro</i>-hexatantalum bromide chloride octahydrate","Acta Crystallographica Section C","2002","58","6","i71","i73","10.1107/S0108270102006856","","","0.71073","MoKa","","0.0459","0.0305","","","0.0589","0.0626","","","","","","1.044","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012745","14.829","0.003","16.1465","0.0019","19.282","0.003","90","","91.27","0.02","90","","4615.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Polymeric bis(N,N-dimethylacetamide)tetrakis(thiocyanato)cadmium(II)mercury(II)","","- C24 H36 Cd2 Hg2 N12 O4 S8 -","- C24 H36 Cd2 Hg2 N12 O4 S8 -","- C96 H144 Cd8 Hg8 N48 O16 S32 -","4","1","DA1215","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Lu, Guang Tian","Polymeric bis(<i>N</i>,<i>N</i>-dimethylacetamide)tetrakis(thiocyanato)cadmium(II)mercury(II)","Acta Crystallographica Section C","2002","58","6","m341","m343","10.1107/S0108270102005942","","","0.71073","MoKα","","0.1225","0.0536","","","0.099","0.1211","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012746","9.4742","0.0008","19.287","0.001","33.032","0.002","90","","90","","90","","6035.9","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-Oxo-4,5-dihydropyrazolo[3,4-d]pyrimidine","6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine- 4-one","","- C15 H16 N4 O S -","- C15 H16 N4 O S -","- C240 H256 N64 O16 S16 -","16","2","DE1182","Avasthi, Kamlakar; Rawat, Diwan S.; Sarkhel, Sanjay; Maulik, Prakas R.","A dimeric layered structure of a 4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine compound","Acta Crystallographica Section C","2002","58","6","o325","o327","10.1107/S0108270102006649","","","1.5418","CuKα","","0.064","0.049","","","0.169","0.19","","","","","","1.523","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012747","9.1442","0.0018","12.448","0.003","14.518","0.003","90.19","0.03","92.4","0.03","91.1","0.03","1650.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","triaqua-1κ^3^O-μ-cyano-1:2κ^2^N:C-pentacyano-2κ^5^C-tetrakis -(2-pyrrolidone-1κO)chromium(III)dysprosium(III) dihydrate","","- C22 H38 Cr Dy N10 O9 -","- C22 H38 Cr Dy N10 O9 -","- C44 H76 Cr2 Dy2 N20 O18 -","2","1","DE1183","Kou, Hui-Zhong; Gao, Song; Wang, Ru-Ji","A cyano-bridged dinuclear 4<i>f</i>‒3<i>d</i> array","Acta Crystallographica Section C","2002","58","6","m325","m326","10.1107/S0108270102005966","","","0.71073","MoKα","","0.0318","0.0291","","","0.0726","0.0736","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012748","10.4684","0.0004","10.3551","0.0003","9.4337","0.0003","90","","96.939","0.002","90","","1015.14","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(pyridine-κN)bis(3,3,3-trifluoropropyl-κC^1^)tin(IV)","","- C16 H18 Cl2 F6 N2 Sn -","- C16 H18 Cl2 F6 N2 Sn -","- C32 H36 Cl4 F12 N4 Sn2 -","2","0.5","DN1011","Allouchi, Hassan; Cotrait, Michel; Jousseaume, Bernard; Rascle, Marie-Claude; Toupance, Thierry","Dichlorobis(pyridine-κ<i>N</i>)bis(3,3,3-trifluoropropyl-κ<i>C</i>^1^)tin(IV)","Acta Crystallographica Section C","2002","58","6","m363","m364","10.1107/S0108270102007874","","","0.71069","MoKα","","0.071","0.039","","","0.078","0.085","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012749","29.982","0.005","14.154","0.003","27.612","0.002","90","","137.36","0.03","90","","7937","5","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","13,21,35,43-tetramethyl-3,6,9,17,25,28,31,39,46,49- decaoxaheptacyclo[21.21.3^1,23^.3^11,33^.0^2,41^.0^10,15^.0^19,24^.0^32,37^] pentaconta-1,10,12,14,19,21,23,32,34,36,41,43-dodecaene","","- C44 H52 O10 -","- C44 H52 O10 -","- C352 H416 O80 -","8","1","FG1641","Masci, Bernardo; Colapietro, Marcello; Portalone, Gustavo; Saccheo, Stefano","1,3-Bridged <i>p</i>-methyloctahomotetraoxacalix[4]arene‒bis-crown-3","Acta Crystallographica Section C","2002","58","6","o345","o346","10.1107/S0108270102006868","","","0.71069","MoKα","","0.052","0.052","","0.067","0.067","0.067","","","0.853","","","0.853","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012750","9.5705","0.0007","11.7377","0.0009","12.4726","0.0011","97.011","0.003","107.571","0.004","102.297","0.006","1278.71","0.18","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Tri-n-butyltin-N-(1-naphthyl)-maleamate","","","- C26 H37 N O3 Sn -","- C26 H37 N O3 Sn -","- C52 H74 N2 O6 Sn2 -","2","1","FG1647","Parvez, Masood; Ali, Saqib; Ahmad, Sajjad; Bhatti, Moazzam Hussain; Mazhar, Muhammad","<i>catena</i>-Poly[[tri-<i>n</i>-butyltin]-μ-<i>N</i>-(1-naphthyl)maleamato]","Acta Crystallographica Section C","2002","58","6","m334","m335","10.1107/S0108270102007539","","","0.71073","MoKα","","0.076","0.061","","","0.16","0.169","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012751","7.6862","0.0006","11.8902","0.0009","13.3644","0.0011","109.492","0.003","92.902","0.004","101.347","0.004","1119.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","I","bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate","","- C21 H20 Cu N6 O7 -","- C21 H20 Cu N6 O7 -","- C42 H40 Cu2 N12 O14 -","2","1","FR1363","Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.","New structures in the bipyridine‒copper(II) nitrate‒methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~","Acta Crystallographica Section C","2002","58","6","m330","m333","10.1107/S010827010200690X","","","0.71073","MoKα","","0.0443","0.0362","","","0.0969","0.1001","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012752","12.347","0.003","26.54","0.006","7.1648","0.0016","90","","119.129","0.004","90","","2050.9","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","II","catena-poly[[[bis(2,2'-bipyridine)copper(II)]-μ-nitrato-O:O'] nitrate]","","- C20 H16 Cu N6 O6 -","- C20 H16 Cu N6 O6 -","- C80 H64 Cu4 N24 O24 -","4","0.5","FR1363","Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.","New structures in the bipyridine‒copper(II) nitrate‒methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~","Acta Crystallographica Section C","2002","58","6","m330","m333","10.1107/S010827010200690X","","","0.71073","MoKα","","0.0989","0.0594","","","0.1252","0.1394","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012753","7.962","0.003","8.249","0.004","18.931","0.009","90","","90","","90","","1243.4","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","FV-LAMAL","2-[(3-Furyl)(hydroxy)methyl]-2,3-dimethylcyclohexanone","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","FR1367","Esther García G.; Mendoza G., Virgilio; Guzmán-B., José Agustín; Graniel, Luis Angel Maldonado; Hernández-Ortega, Simón","2-[3-Furyl(hydroxy)methyl]-2,3-dimethylcyclohexanone","Acta Crystallographica Section C","2002","58","6","o336","o338","10.1107/S0108270102007527","","","0.71073","MoKα","","0.0845","0.0524","","","0.0891","0.0983","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012754","12.832","0.004","7.961","0.003","11.809","0.004","90","","99.79","0.02","90","","1188.8","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-12-Oxotricyclo[6.2.2.0^1,6^]dodecane-10-carboxylic acid","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","FR1370","Papadakis, Markos M.; Martins, Sonia P.; Thompson, Hugh W.; Lalancette, Roger A.","(±)-12-Oxotricyclo[6.2.2.0^1,6^]dodecane-10-carboxylic acid: hydrogen bonding in a tricyclic δ-keto acid","Acta Crystallographica Section C","2002","58","6","o321","o322","10.1107/S0108270102006893","","","0.71073","MoKα","","0.065","0.044","","","0.103","0.114","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012755","9.346","0.002","11.413","0.002","19.493","0.004","90","","90","","90","","2079.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-t-butoxycarbonyl-N-methyl-(O-benzyl)-L-tyrosine","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","GD1196","Jankowska, Elżbieta; Gilski, Mirosław; Jaskólski, Mariusz; Grzonka, Zbigniew; Łankiewicz, Leszek","<i>O</i>-Benzyl-<i>N</i>-<i>tert</i>-butoxycarbonyl-<i>N</i>-methyl-<small>L</small>-tyrosine","Acta Crystallographica Section C","2002","58","6","o353","o354","10.1107/S0108270102007114","","","0.71073","MoKα","","0.0613","0.0479","","","0.105","0.1118","","","","","","1.341","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012756","10.2643","0.0003","13.4878","0.0004","21.1227","0.0008","86.2858","0.001","77.9955","0.0013","73.932","0.003","2748.51","0.16","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C120 H140 N4 O32 Zn -","- C120 H140 N4 O32 Zn -","- C120 H140 N4 O32 Zn -","1","1","GD1198","Yael Diskin-Posner; Goutam Kumar Patra; Israel Goldberg","Hydrogen-bonded supramolecular lattice of the 1:3:4 complex between [5,10,15,20-<i>meso</i>-tetrakis(4-hydroxyphenyl)porphyrinato-κ^4^<i>N</i>]zinc(II), dibenzo-24-crown-8 and methanol","Acta Crystallographica Section C","2002","58","6","m344","m346","10.1107/S010827010200776X","","","0.7107","MoKα","","0.0878","0.0698","","","0.1547","0.1673","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012757","6.568","0.001","13.282","0.003","20.801","0.005","90","","90","","90","","1814.6","0.7","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Kamebanin","rel-(-)-(1R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14- methylenetetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecan-15-one","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","GD1200","Pan, Yuan Jiang; Shi, Hao","The natural diterpenoid kamebanin","Acta Crystallographica Section C","2002","58","6","o323","o324","10.1107/S0108270102007175","","","0.71073","MoKα","","0.0736","0.0447","","","0.0945","0.1048","","","","","","0.927","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012758","7.476","0.001","8.923","0.001","10.155","0.001","76.68","0.01","89.08","0.01","80.66","0.01","650.3","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolo[3,4-d]pyrimidine","5-benzyl-1,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydropyrazolo[3,4-d]pyrimidine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","1","GD1201","Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R.","Isomeric pyrazolo[3,4-<i>d</i>]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions","Acta Crystallographica Section C","2002","58","6","o311","o313","10.1107/S0108270102006315","","","0.71073","MoKα","","0.054","0.0463","","","0.1274","0.1343","","","","","","1.048","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012759","12.468","0.001","7.449","0.001","15.076","0.002","90","","108.94","0.01","90","","1324.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazolo[3,4-d]pyrimidine","1-benzyl-5,7-dimethyl-4-dioxo-4,5,6,7-tetrahydropyrazolo[3,4-d]pyrimidine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","GD1201","Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R.","Isomeric pyrazolo[3,4-<i>d</i>]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions","Acta Crystallographica Section C","2002","58","6","o311","o313","10.1107/S0108270102006315","","","0.71073","MoKα","","0.1301","0.0593","","","0.1301","0.1588","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012760","8.1517","0.0016","13.4955","0.0012","15.486","0.002","90","","90","","90","","1703.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-α-isosparteine copper(II) diazide","(Diazido-N)[(-)-α-isosparteine-N,N']copper(II)","","- C15 H26 Cu N8 -","- C15 H26 Cu N8 -","- C60 H104 Cu4 N32 -","4","1","GD1202","Kim, Bun-Joo; Lee, Yong-Min; Kim, Eun Hee; Kang, Sung Kwon; Choi, Sung-Nak","(‒)-α-Isosparteine copper(II) diazide","Acta Crystallographica Section C","2002","58","6","m361","m362","10.1107/S0108270102008016","","","0.71073","MoKα","","0.112","0.052","","","0.063","0.087","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012761","7.2703","0.0006","7.2963","0.0008","24.086","0.003","90","","94.517","0.008","90","","1273.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-methoxyphenyl)-4-nitrophenylimine","N-(2-methoxyphenyl)-4-nitrophenylimine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","GG1100","Zhang, De-Chun","The effect of molecular planarity on crystal non-centrosymmetry in benzylidene‒aniline derivatives","Acta Crystallographica Section C","2002","58","6","o351","o352","10.1107/S0108270102006479","","","0.71073","MoKα","","0.059","0.04","","","0.1","0.108","","","","","","1.001","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012762","8.6495","0.0018","17.118","0.004","10.568","0.002","90","","113.85","0.02","90","","1431.1","0.6","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","","catena-Poly[[(2,2'-bipyridine-κ^2^N:N')(dicyanamide-κN)copper(II)]- μ-dicyanamide-κ^2^N:N']","","- C14 H8 Cu N8 -","- C14 H8 Cu N8 -","- C56 H32 Cu4 N32 -","4","1","GG1106","Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar","Low-dimensional compounds containing cyano groups. II. <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(dicyanamido-κ<i>N</i>)copper(II)]-μ-dicyanamido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2002","58","6","m327","m329","10.1107/S0108270102006625","","","0.71073","MoKα","","0.024","0.023","","","0.06","0.064","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012763","10.1635","0.0017","17.038","0.003","12.547","0.003","90","","108.155","0.013","90","","2064.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,6,11,12-tetrahydro-5,12;6,11-di-o-benzenodibenzo[a,e]cyclooctene- 5,6-dicarboxylic anhydride","","- C30 H18 O3 -","- C30 H18 O3 -","- C120 H72 O12 -","4","1","NA1561","Cicogna, Francesca; Ingrosso, Giovanni; Marchetti, Fabio","A [4π+4π] intramolecular photocyclomer of 9-anthroic anhydride: 5,6,11,12-tetrahydro-5,12;6,11-di-<i>o</i>-benzenodibenzo[<i>a</i>,<i>e</i>]cyclooctene-5,6-dicarboxylic anhydride","Acta Crystallographica Section C","2002","58","6","o359","o361","10.1107/S0108270102007436","","","0.71073","MoKα","","0.176","0.066","","","0.105","0.138","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012764","8.232","0.003","15.348","0.005","10.539","0.003","90","","94.5","0.02","90","","1327.4","0.8","293","2","293","3","","","","","","","","6","P 1 21 1","P 2yb","4","","Λ-trans(O)-(1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate","","- C20 H36 Cl Co N4 O10 -","- C20 H36 Cl Co N4 O10 -","- C40 H72 Cl2 Co2 N8 O20 -","2","1","NA1562","Bogdanović, Goran A.; Miodragović, Djenana U.; Malinar, Mijat J.","Mixed cobalt(III) complexes with aromatic amino acids and diamines. III. Absolute structure of Λ-<i>trans</i>(O)-(1,2-diaminoethane-κ^2^<i>N</i>,<i>N</i>)bis(<i>S</i>-tyrosinato)cobalt(III) chloride tetrahydrate","Acta Crystallographica Section C","2002","58","6","m338","m340","10.1107/S0108270102006728","","","0.71073","MoKα","","0.045","0.0318","","","0.081","0.0881","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012765","9.402","0.002","10.121","0.003","13.71","0.003","90","","90","","90","","1304.6","0.6","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 Cl2 N6 S2 Zn -","- C4 H14 Cl2 N6 S2 Zn -","- C16 H56 Cl8 N24 S8 Zn4 -","4","1","NA1563","Novaković, Sladjana B.; Tomić, Zoran D.; Jevtović, Violeta; Leovac, Vukadin M.","Transition metal complexes with thiosemicarbazide-based ligands. XLIII. Chlorobis(3-methylisothiosemicarbazide-κ^2^<i>N</i>^1^,<i>N</i>^4^)zinc(II) chloride","Acta Crystallographica Section C","2002","58","6","m358","m360","10.1107/S0108270102007564","","","0.71073","MoKα","","","0.065","","","","0.124","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012766","17.541","0.002","12.112","0.001","24.95","0.003","90","","109.26","0.01","90","","5004.1","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-dicloro [tris-(diphenylphosphinoethyl)amine] ruthenium (II) chloform solvate","","- C44.4 H46.5 Cl9.5 N O P3 Ru -","- C44.4 H46.5 Cl9.5 N O P3 Ru -","- C177.6 H186 Cl38 N4 O4 P12 Ru4 -","4","1","NA1568","Anzellotti, Atilio; Briceño, Alexander; Delgado, Gerzon; Díaz de Delgado, Graciela; Fontal, Bernardo","<i>cis</i>-Dichloro[tris(diphenylphosphinoethyl)amine]ruthenium(II)‒chloroform‒water (1/2.5/1)","Acta Crystallographica Section C","2002","58","6","m355","m357","10.1107/S0108270102008004","","","0.71069","MoKα","","0.1696","0.0797","","","0.1807","0.2233","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012767","8.932","0.001","5.324","0.001","26.316","0.002","90","","92.8","0.01","90","","1249.9","0.3","288","2","288","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzoylacetone S-methylisothiosemicarbazone","1-(1-Benzoylpropen2-yl)-3-methylisothiosemicarbazide","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C48 H60 N12 O4 S4 -","4","1","NA1569","Forni, Alessandra; Gradinaru, Julieta","1-(1-Benzoylpropen-2-yl)-3-methylisothiosemicarbazide","Acta Crystallographica Section C","2002","58","6","o342","o344","10.1107/S0108270102007059","","","0.71073","MoKα","","0.085","0.05","","","0.14","0.151","","","","","","0.881","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012768","4.539","0.001","28.544","0.006","9.863","0.002","90","","97.57","0.03","90","","1266.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","melaminium glutarate monohydrate","2,4,6-triamino-1,3,5-triazine-1-ium glutarate monohydrate","","- C8 H16 N6 O5 -","- C8 H16 N6 O5 -","- C32 H64 N24 O20 -","4","1","NA1570","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium glutarate monohydrate","Acta Crystallographica Section C","2002","58","6","o339","o341","10.1107/S0108270102007266","","","0.71073","MoKα","","0.075","0.029","","","0.058","0.07","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012769","7.681","0.0002","14.461","0.0003","14.619","0.0004","90","","90","","90","","1623.8","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","a precursor of a β-lactamase inhibitor","allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1- azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","NA1571","Leban, Ivan; Selič, Lovro; Mesar, Tomaž; Čopar, Anton; Šolmajer, Tom","Precursor of a β-lactamase inhibitor: allyl (4<i>S</i>,8<i>S</i>,9<i>R</i>)-10-[(<i>E</i>)-ethylidene]-4-methoxy-11-oxo-1-azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate","Acta Crystallographica Section C","2002","58","6","o367","o369","10.1107/S010827010200793X","","","0.71073","MoKα","","0.0509","0.0434","","","0.1206","0.1271","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012770","10.8806","0.0002","22.467","0.0005","11.5313","0.0003","90","","92.208","0.001","90","","2816.78","0.11","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)pyridyl]-1- phenylethyl p-bromobenzoate","","- C30 H33 Br N2 O3 -","- C30 H33 Br N2 O3 -","- C120 H132 Br4 N8 O12 -","4","2","SK1544","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.","(1<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-(<i>N</i>-phenyl-<i>N</i>-propionylamino)piperidin-1-yl]-1-phenylethyl <i>p</i>-bromobenzoate and <i>N</i>-{(3<i>R</i>,4<i>S</i>)-1-[(2<i>S</i>)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-<i>N</i>-phenylacrylamide","Acta Crystallographica Section C","2002","58","6","o362","o364","10.1107/S0108270102006443","","","1.54178","CuKα","","0.0485","0.0471","","","0.1201","0.1215","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012771","6.1932","0.0001","10.7461","0.0001","33.0458","0.0003","90","","90","","90","","2199.29","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-{(3R,4S)1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-4-pyridyl}- N-phenylpropenamide","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C92 H108 Br4 N8 O8 -","4","1","SK1544","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.","(1<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-(<i>N</i>-phenyl-<i>N</i>-propionylamino)piperidin-1-yl]-1-phenylethyl <i>p</i>-bromobenzoate and <i>N</i>-{(3<i>R</i>,4<i>S</i>)-1-[(2<i>S</i>)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-<i>N</i>-phenylacrylamide","Acta Crystallographica Section C","2002","58","6","o362","o364","10.1107/S0108270102006443","","","1.54178","CuKα","","0.0434","0.0414","","","0.1029","0.1052","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012772","20.96","0.004","6.8198","0.0014","11.73","0.002","90","","118.67","0.03","90","","1471.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ethyl 2-{[5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]hydrazono}- 3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate 7,7,8,8-tetracyano-p-quinodimethane (1/1)","","","- C28 H26 N8 O4 S2 -","- C28 H26 N8 O4 S2 -","- C56 H52 N16 O8 S4 -","2","0.25","SK1545","Toplak, Renata; Lorcy, Dominique","A neutral complex of an azino‒DTDAF compound with TCNQ","Acta Crystallographica Section C","2002","58","6","o370","o372","10.1107/S0108270102007722","","","0.71073","MoKα","","0.057","0.041","","","0.102","0.108","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012773","7.307","0.003","6.453","0.003","14.423","0.008","90","","101.83","0.03","90","","665.6","0.6","298","2","298","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Aqua(4,4'-oxydibenzoato-κO)cadmium(II)","","- C14 H10 Cd O6 -","- C14 H10 Cd O6 -","- C28 H20 Cd2 O12 -","2","0.5","SK1548","Hu, Mao-Lin; Gao, Peng; Ng, Seik Weng","Aqua(4,4'-oxydibenzoato-κ<i>O</i>)cadmium(II)","Acta Crystallographica Section C","2002","58","6","m323","m324","10.1107/S0108270102006352","","","0.71073","MoKα","","0.028","0.025","","","0.066","0.067","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012774","7.544","0.005","9.084","0.006","9.152","0.008","72.65","0.06","66.61","0.05","76.96","0.07","545.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-1H-imidazo[5,4-f]quinolin-6-ium chloride monohydrate","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C22 H24 Cl2 N6 O2 -","2","1","SK1549","Kettmann, Viktor; Lokaj, Jan; Milata, Viktor; Saloň, Jozef; Hasan, Mohamed Mahmoud Mohamed","1-Methyl-1<i>H</i>-imidazo[4,5-<i>f</i>]quinolin-6-ium chloride monohydrate","Acta Crystallographica Section C","2002","58","6","o365","o366","10.1107/S0108270102008089","","","0.71073","MoKα","","0.137","0.07","","","0.162","0.201","","","","","","0.916","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012775","7.238","0.0005","11.9743","0.0009","21.2062","0.0016","90","","90","","90","","1837.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-[N-(Benzotriazol-1-ylmethyl)amino]-3-tert-butyl-1-phenylpyrazole","","- C20 H22 N6 -","- C20 H22 N6 -","- C80 H88 N24 -","4","1","SK1550","Glidewell, Christopher; Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Rengifo, Emerson; Abonia, Rodrigo","5-[<i>N</i>-(1<i>H</i>-Benzotriazol-1-ylmethyl)amino]-3-<i>tert</i>-butyl-1-phenylpyrazole: sheets built from N—H···N, C—H···N and C—H···π(pyrazole) interactions","Acta Crystallographica Section C","2002","58","6","o314","o317","10.1107/S0108270102006881","","","0.71073","MoKα","","0.049","0.044","","","0.1048","0.1075","","","","","","1.072","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012776","20.79","0.0011","16.052","0.001","16.778","0.0009","90","","105.604","0.004","90","","5392.8","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide‒1,4-dioxan (1/0.6)","","- C55.2 H38.4 N6 O15.6 S6 -","- C55.2 H38.4 N6 O15.6 S6 -","- C220.8 H153.6 N24 O62.4 S24 -","4","0.5","SK1551","Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.; Low, John N.; Zakaria, Choudhury M.","<i>N</i>,<i>N</i>'-Dithiobisphthalimide‒1,4-dioxan (1/0.6): a <i>C</i>2/<i>c</i> solvate with disordered solvent molecules localized in channels","Acta Crystallographica Section C","2002","58","6","o347","o350","10.1107/S0108270102007680","","","0.71073","MoKα","","0.159","0.072","","","0.145","0.183","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012777","11.0731","0.0005","7.3642","0.0003","22.9129","0.0011","90","","111.456","0.002","90","","1738.94","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","SK1553","Quesada, Antonio; Low, John N.; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine: chains built from three-centre N—H···(N,O) and N—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2002","58","6","o355","o358","10.1107/S0108270102008181","","","0.71073","MoKα","","0.264","0.063","","","0.114","0.169","","","","","","0.902","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012778","4.0368","0.0003","7.7237","0.0004","10.1355","0.0005","84.607","0.004","80.825","0.005","75.318","0.005","301.31","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cd N6 S4 -","- C4 H8 Cd N6 S4 -","- C4 H8 Cd N6 S4 -","1","0.5","TA1373","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cadmium(II)]-di-μ-thiourea-κ^4^<i>S</i>:<i>S</i>]","Acta Crystallographica Section C","2002","58","6","m336","m337","10.1107/S0108270102007631","","","0.71073","MoKα","","0.0246","0.0222","","","0.0631","0.0649","","","","","","1.144","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012779","8.6706","0.0005","8.5319","0.0006","13.3143","0.0009","90","","103.84","0.001","90","","956.35","0.11","303","2","303","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene-2-thione","","- C17 H14 S5 Sn -","- C17 H14 S5 Sn -","- C34 H28 S10 Sn2 -","2","1","TR1026","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","6,6-Diphenyl-6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione","Acta Crystallographica Section C","2002","58","6","m351","m354","10.1107/S0108270102007898","","","0.71073","MoKα","","0.05","0.042","","","0.11","0.118","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012780","11.3973","0.0004","14.2749","0.0005","12.5609","0.0005","90","","114.625","0.001","90","","1857.74","0.12","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene]-2,2'-dithione","","- C10 H8 S10 Sn -","- C10 H8 S10 Sn -","- C40 H32 S40 Sn4 -","4","1","TR1026","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","6,6-Diphenyl-6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione","Acta Crystallographica Section C","2002","58","6","m351","m354","10.1107/S0108270102007898","","","0.71073","MoKα","","0.047","0.033","","","0.083","0.091","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012781","12.3178","0.0001","15.5281","0.0001","20.4617","0.0001","90","","90","","90","","3913.75","0.04","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Dibenzylsulfoxido-κO)bis(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)","","- C44 H36 O7 S U -","- C44 H36 O7 S U -","- C176 H144 O28 S4 U4 -","4","1","AV1108","Fun, Hoong-Kun; Kannan, S.; Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada","(Dibenzyl sulfoxide-κ<i>O</i>)bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI)","Acta Crystallographica Section C","2002","58","7","m368","m370","10.1107/S010827010200848X","","","0.71073","MoKα","","0.063","0.048","","","0.104","0.121","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012782","11.053","0.002","7.409","0.002","17.956","0.004","90","","100.16","0.02","90","","1447.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(5-phenyltetrazol-2-yl)methane","","- C15 H12 N8 -","- C15 H12 N8 -","- C60 H48 N32 -","4","1","AV1109","Lyakhov, Alexander S.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S.","Bis(5-phenyltetrazol-2-yl)methane","Acta Crystallographica Section C","2002","58","7","o381","o383","10.1107/S0108270102008466","","","0.71069","MoKα","","0.058","0.041","","","0.113","0.126","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012783","7.0863","0.0003","28.4885","0.0011","4.8336","0.0002","90","","94.874","0.001","90","","972.27","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate","","- C4 H17 N2 O6 P -","- C4 H17 N2 O6 P -","- C16 H68 N8 O24 P4 -","4","1","AV1110","Demir, Selcuk; Yilmaz, Veysel T.; Andac, Omer; Harrison, William T. A.","<i>N</i>-(2-Hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate","Acta Crystallographica Section C","2002","58","7","o407","o408","10.1107/S0108270102009629","","","0.71073","MoKα","","0.038","0.032","","","0.088","0.091","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012784","7.78","0.001","13.056","0.001","15.245","0.001","97.04","0.01","93.48","0.01","94.23","0.01","1528.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-3,4,5-triethoxybenzoato-κ^2^O:O')bis[(pyrazine- κN)rhodium(II)](Rh-Rh)","","- C60 H76 N4 O20 Rh2 -","- C60 H76 N4 O20 Rh2 -","- C60 H76 N4 O20 Rh2 -","1","0.5","BK1651","Castro, Maria Ana; Chaia, Zulema D.; Piro, Oscar E.; Cukiernik, Fabio D.; Castellano, Eduardo E.; Rusjan, Marcia","A pyrazine bis-adduct of a binuclear rhodium(II) carboxylate containing 3,4,5-triethoxybenzoate as the equatorial ligand","Acta Crystallographica Section C","2002","58","7","m393","m395","10.1107/S0108270102009460","","","0.71073","MoKα","","0.04","0.034","","","0.083","0.087","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012785","11.66","0.001","17.164","0.002","17.102","0.002","90","","92.75","0.02","90","","3418.7","0.6","90","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,2- trifluoroethylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione","","- C19 H16 F3 N O3 -","- C19 H16 F3 N O3 -","- C152 H128 F24 N8 O24 -","8","2","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.134","0.051","","","0.123","0.16","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012786","9.539","0.001","16.716","0.001","11.72","0.001","90","","92.9","0.01","90","","1866.4","0.3","90","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,3- pentafluoropropylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione","","- C20 H16 F5 N O3 -","- C20 H16 F5 N O3 -","- C80 H64 F20 N4 O12 -","4","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.134","0.057","","","0.146","0.181","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012787","10.07","0.002","11.003","0.002","11.266","0.002","93.75","0.03","111.33","0.03","115.8","0.02","1008.9","0.5","93","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,4,4,4- heptafluorobutylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione","","- C21 H16 F7 N O3 -","- C21 H16 F7 N O3 -","- C42 H32 F14 N2 O6 -","2","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.088","0.054","","","0.135","0.152","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012788","7.721","0.001","20.737","0.002","13.496","0.001","90","","99.35","0.01","90","","2132.1","0.4","90","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,2-trifluoroethylidene]- 4-(tricyclo[3.3.1.1^3,7^]decylidene)dihydrofuran-2,5-dione","","- C26 H24 F3 N O3 -","- C26 H24 F3 N O3 -","- C104 H96 F12 N4 O12 -","4","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.073","0.056","","","0.132","0.14","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012789","10.313","0.001","10.924","0.001","11.729","0.001","87.67","0.01","82.65","0.01","73.24","0.01","1254.8","0.2","90","2","273","2","","","","","","","","5","P -1","-P 1","2","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,4,4,4-heptafluorobutylidene]- 4-(tricyclo[3.3.1.1^3,7^]decylidene)dihydrofuran-2,5-dione","","- C28 H24 F7 N O3 -","- C28 H24 F7 N O3 -","- C56 H48 F14 N2 O6 -","2","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.065","0.044","","","0.101","0.11","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012790","19.523","0.004","9.2726","0.0019","9.939","0.002","90","","90","","90","","1799.2","0.6","293","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H15 Be F4 N2 O0.5 -","- C6 H15 Be F4 N2 O0.5 -","- C48 H120 Be8 F32 N16 O4 -","8","1","BM1497","Gerrard, Lee A.; Weller, Mark T.","Dabconium orthofluoroberyllate hemihydrate","Acta Crystallographica Section C","2002","58","7","m407","m408","10.1107/S0108270102009654","","","0.71073","MoKα","","0.0479","0.0432","","","0.113","0.117","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012791","8.4293","0.0002","18.833","0.0003","13.9401","0.0003","90","","95.4144","0.0009","90","","2203.1","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis-(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate","","- C18 H23 Cl2 Cu I N5 -","- C18 H23 Cl2 Cu I N5 -","- C72 H92 Cl8 Cu4 I4 N20 -","4","1","BM1500","Halcrow, Malcolm A.; Kilner, Colin A.","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate","Acta Crystallographica Section C","2002","58","7","m424","m426","10.1107/S0108270102010053","","","0.71073","MoKα","","0.046","0.034","","","0.083","0.088","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012792","5.296","0.002","6.359","0.001","16.238","0.004","80.93","0.01","81.8","0.03","72.92","0.02","513.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Sodium silver tricobalt diphosphate","Sodium silver tricobalt diphosphate","","- Ag0.58 Co3 Na1.42 O14 P4 -","- Ag0.576 Co3 Na1.424 O14 P4 -","- Ag1.152 Co6 Na2.848 O28 P8 -","2","1","BR1368","Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M.","Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate","Acta Crystallographica Section C","2002","58","7","i87","i89","10.1107/S0108270102008922","","","0.71073","MoKα","","0.05","0.04","","","0.101","0.107","","","","","","1.048","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012793","15.088","0.002","5.641","0.001","8.171","0.001","90","","116.11","0.01","90","","624.48","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sodium silver copper(II) diphosphate","Sodium silver copper(II) diphosphate","","- Ag0.88 Cu Na1.12 O7 P2 -","- Ag0.876 Cu Na1.124 O7 P2 -","- Ag3.504 Cu4 Na4.496 O28 P8 -","4","0.5","BR1368","Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M.","Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate","Acta Crystallographica Section C","2002","58","7","i87","i89","10.1107/S0108270102008922","","","0.71073","MoKα","","0.06","0.049","","","0.152","0.161","","","","","","1.204","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012794","12.1975","0.001","12.9531","0.001","6.754","0.002","90","","113.85","0.04","90","","976","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","sodium manganese arsenate(1.72/3.28/12)","","- As3 Mn3.28 Na1.72 O12 -","- As3 Mn3.28 Na1.72 O12 -","- As12 Mn13.12 Na6.88 O48 -","4","0.5","BR1372","Brahim Ayed; Mohamed Krifa; Amor Haddad","Na~1.72~Mn~3.28~(AsO~4~)~3~","Acta Crystallographica Section C","2002","58","7","i98","i100","10.1107/S010827010200882X","","","0.71073","MoKα","","0.1166","0.0511","","","0.1174","0.1406","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012795","29.781","0.0004","5.422","0.0001","9.8768","0.0002","90","","96.618","0.001","90","","1584.21","0.05","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Gallium fluorophenylphosphonate","","- C6 H5 F Ga O3 P -","- C6 H5 F Ga O3 P -","- C48 H40 F8 Ga8 O24 P8 -","8","1","BR1373","Loiseau, Thierry; Neeraj, Sharma; Cheetham, Anthony K.","GaFPO~3~(C~6~H~5~): a new fluorinated gallium phenylphosphonate with a layered network","Acta Crystallographica Section C","2002","58","7","m379","m381","10.1107/S0108270102008934","","","0.71073","MoKα","","0.0515","0.0421","","0.109","","0.1043","","","1.097","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012796","5.496","0.0002","5.496","0.0002","20.0873","0.0016","90","","90","","120","","525.47","0.05","293","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Magnesium nitridoboride","","- B9 Mg N -","- B9 Mg N -","- B54 Mg6 N6 -","6","0.166667","BR1376","Mironov, Andrei; Kazakov, Sergei; Jun, Jan; Karpinski, Janusz","MgNB~9~, a new magnesium nitridoboride","Acta Crystallographica Section C","2002","58","7","i95","i97","10.1107/S0108270102009253","","","0.71069","MoKα","","0.017","0.017","","","0.035","0.035","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012797","9.69","0.003","6.451","0.002","9.774","0.003","90","","103.075","0.006","90","","595.1","0.3","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Ge -","- Cl4 Ge -","- Cl16 Ge4 -","4","1","BR1378","Merz, Klaus; Driess, Matthias","Germanium(IV) chloride at 193K","Acta Crystallographica Section C","2002","58","7","i101","i102","10.1107/S0108270102010351","","","0.71073","MoKα","","0.0268","0.0255","","","0.0697","0.0714","","","","","","1.272","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012798","8.6079","0.0012","8.9177","0.0011","16.717","0.003","90","","93.841","0.013","90","","1280.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1,3-propanediamine-κ^2^N,N')nickel(II) bis(sulfanilate)","","- C18 H36 N6 Ni O8 S2 -","- C18 H36 N6 Ni O8 S2 -","- C36 H72 N12 Ni2 O16 S4 -","2","0.5","DE1184","Kim, Chong-Hyeak; Lee, Sueg-Geun","Diaquabis(1,3-propanediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(sulfanilate)","Acta Crystallographica Section C","2002","58","7","m421","m423","10.1107/S0108270102009897","","","0.71073","MoKα","","0.032","0.03","","","0.082","0.084","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012799","9.363","0.0002","9.972","0.0005","11.127","0.0005","90","","105.33","0.003","90","","1001.94","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-D-ALA-L-PIP-NH^i^Pr","1-(tert-butoxycarbonyl-D-alanyl)-N-isopropyl-L-pipecolamide","","- C17 H31 N3 O4 -","- C17 H31 N3 O4 -","- C34 H62 N6 O8 -","2","1","DN1009","Didierjean, Claude; Boussard, Guy; Aubry, André","A pipecolic acid (Pip)-containing dipeptide, Boc-<small>D</small>-Ala-<small>L</small>-Pip-NH^<i>i^</i>Pr","Acta Crystallographica Section C","2002","58","7","o394","o396","10.1107/S0108270102008715","","","0.7107","MoKα","","0.066","0.054","","","0.14","0.15","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","194538","2020-10-21","18:00:00",""
"2012800","5.6203","0.0008","5.6203","0.0008","7.9983","0.001","90","","90","","120","","218.8","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","dipotassium caesium ytterbium bis(phosphate)","","- Cs K2 O8 P2 Yb -","- Cs K2 O8 P2 Yb -","- Cs K2 O8 P2 Yb -","1","0.0833333","DN1010","Rghioui, Lotfi; El Ammari, Lahcen; Benarafa, Larbi; Wignacourt, Jean Pierre","K~2~CsYb(PO~4~)~2~","Acta Crystallographica Section C","2002","58","7","i90","i91","10.1107/S0108270102008107","","","0.71073","MoKα","","0.016","0.016","","0.039","","0.039","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012801","8.47","0.002","9.702","0.002","14.648","0.003","85.55","0.01","80.11","0.02","68.2","0.01","1100.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","μ-Cyano-1:2κ^2^C:N-tetracyano-1κ^4^C-(5-methyl-5-nitro-3,7-diazanonane- 1,9-diamine-2κ^4^N)-nitrosyl-1κN-copper(II)iron(II) dihydrate","","- C13 H25 Cu Fe N11 O5 -","- C13 H25 Cu Fe N11 O5 -","- C26 H50 Cu2 Fe2 N22 O10 -","2","1","FG1643","Shen, Liang; Zhang, Yi-Jian; Sheng, Guo-Ding; Wang, Hua-Tong","μ-Cyano-1:2κ^2^<i>C</i>:<i>N</i>-tetracyano-1κ^4^<i>C</i>-(5-methyl-5-nitro-3,7-diazanonane-1,9-diamine-2κ^4^<i>N</i>^1,3,7,9^)-nitrosyl-1κ<i>N</i>-copper(II)iron(II) dihydrate","Acta Crystallographica Section C","2002","58","7","m382","m384","10.1107/S0108270102009149","","","0.71073","MoKα","","0.029","0.025","","","0.066","0.067","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012802","14.882","0.002","14.882","0.002","6.4052","0.0011","90","","90","","120","","1228.5","0.3","150","","150","","","","","","","","","5","P -3","-P 3","147","[Fe(phox)~3~]","Tris[2-(2'-oxazolinyl)-phenolato]iron(II)","","- C27 H24 Fe N3 O6 -","- C27 H24 Fe N3 O6 -","- C54 H48 Fe2 N6 O12 -","2","0.333333","FG1649","Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan","Tris[2-(2-oxazolin-2-yl)phenolato]iron(III)","Acta Crystallographica Section C","2002","58","7","m390","m392","10.1107/S0108270102009435","","","0.71073","MoKa","","0.1151","0.0741","","","0.1514","0.1681","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012803","5.2885","0.0001","8.1643","0.0002","28.8446","0.0005","90","","90","","90","","1245.42","0.04","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-(4-vinylbenzyl)adenine","9-(4-vinylbenzyl)adenine","","- C14 H13 N5 -","- C14 H13 N5 -","- C56 H52 N20 -","4","1","FR1366","Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood","4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins","Acta Crystallographica Section C","2002","58","7","o378","o380","10.1107/S0108270102007515","","","0.71073","MoKα","","0.046","0.039","","","0.106","0.111","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012804","5.9603","0.0002","7.0132","0.0002","25.9571","0.0009","90","","90","","90","","1085.03","0.06","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(4-vinylbenzyl)uracil","1-(4-vinylbenzyl)uracil","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","FR1366","Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood","4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins","Acta Crystallographica Section C","2002","58","7","o378","o380","10.1107/S0108270102007515","","","0.71073","MoKα","","0.077","0.054","","","0.12","0.135","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012805","12.375","0.002","15.248","0.002","14.119","0.002","90","","90","","90","","2664.2","0.7","180.2","","180.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl- κN)(trimethylsilylmethyl)molybdenum(III)]","","- C20 H38 Mo2 N2 O4 Si2 -","- C20 H38 Mo2 N2 O4 Si2 -","- C80 H152 Mo8 N8 O16 Si8 -","4","1","FR1372","Trevor W. Hayton; Peter Legzdins; Steven J. Rettig","Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl-κ<i>N</i>)(trimethylsilylmethyl)molybdenum(II)]","Acta Crystallographica Section C","2002","58","7","m377","m378","10.1107/S010827010200865X","","","0.71069","MoKα","","0.073","0.037","","0.063","","0.063","","","1.215","","","1.215","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012806","8.3016","0.0009","11.8473","0.0018","14.3024","0.0009","93.896","0.008","99.206","0.007","100.562","0.01","1358.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis(thiourea)chlorocopper(I) di(4,5-Diazafluoren-9-one) monohydrate","","- C24 H22 Cl Cu N8 O3 S2 -","- C24 H22 Cl Cu N8 O3 S2 -","- C48 H44 Cl2 Cu2 N16 O6 S4 -","2","1","FR1373","Wu, Zhiyong; Xu, Duanjun; Wu, Jingyun; Chiang, Michael Y.","Chlorobis(thiourea-κ<i>S</i>)copper(I) bis(4,5-diazafluoren-9-one) monohydrate","Acta Crystallographica Section C","2002","58","7","m374","m376","10.1107/S0108270102009022","","","0.71069","MoKα","","0.0828","0.042","","","0.1125","0.1324","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012807","6.699","0.002","11.409","0.003","11.764","0.003","90","","94.98","0.02","90","","895.7","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","FR1378","Newman, Jacob M.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","2002","58","7","o402","o404","10.1107/S0108270102009393","","","0.71073","MoKα","","0.063","0.041","","","0.077","0.085","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012808","17.1668","0.0003","17.1668","0.0003","12.2545","0.0003","90","","90","","90","","3611.39","0.13","83","2","83","2","","","","","","","","4","I -4","I -4","82","Mn12-acetate","hexadeca-μ-acetato-tetraaquadodeca-μ~3~-oxo-dodecamanganese acetic acid disolvate tetrahydrate","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","GD1192","Cornia, Andrea; Fabretti, Antonio Costantino; Sessoli, Roberta; Sorace, Lorenzo; Gatteschi, Dante; Barra, Anne-Laure; Daiguebonne, Carole; Roisnel, Thierry","Disorder effects in Mn~12~‒acetate at 83K","Acta Crystallographica Section C","2002","58","7","m371","m373","10.1107/S0108270102009010","","","0.71073","MoKα","","0.033","0.03","","","0.071","0.073","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012809","15.721","0.0019","6.8582","0.0008","8.2338","0.001","90","","90","","90","","887.75","0.18","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,4,6-Trimethylphenyl isocyanide","","- C10 H11 N -","- C10 H11 N -","- C40 H44 N4 -","4","0.5","GD1206","Fernandes, Manuel A.; Layh, Marcus; Omondi, Bernard","2,4,6-Trimethylphenyl isocyanide","Acta Crystallographica Section C","2002","58","7","o384","o385","10.1107/S0108270102008491","","","0.71073","MoKα","","0.121","0.046","","","0.095","0.115","","","","","","0.913","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012810","27.679","0.011","8.126","0.004","18.776","0.009","90","","129.15","0.06","90","","3275","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamidinium acetate acetone hemisolvate","","- C15.5 H23 N4 O2.5 -","- C15.5 H23 N4 O2.5 -","- C124 H184 N32 O20 -","8","1","GD1208","Kettmann, Viktor; Světlík, Jan","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1<i>H</i>-pyrazole-1-carboxamidinium acetate acetone hemisolvate","Acta Crystallographica Section C","2002","58","7","o423","o424","10.1107/S010827010200937X","","","0.71073","MoKα","","0.1174","0.0726","","","0.1933","0.2291","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012811","16.892","0.005","20.624","0.006","10.854","0.003","90","","115.267","0.005","90","","3419.6","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquachlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide-κ^2^O^1^,N^2^]nickel(II) nitrate methanol disolvate monohydrate","","- C26 H44 Cl N7 Ni O11 -","- C26 H44 Cl N7 Ni O11 -","- C104 H176 Cl4 N28 Ni4 O44 -","4","0.5","GG1109","Lewis, Gareth R.; Blake, Alexander J.","Aquachlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide-κ^2^<i>O</i>^1^,<i>N</i>^2^]nickel(II) nitrate methanol disolvate monohydrate","Acta Crystallographica Section C","2002","58","7","m398","m400","10.1107/S0108270102008831","","","0.71073","MoKα","","0.076","0.066","","","0.188","0.198","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012812","11.959","0.002","10.303","0.002","21.489","0.004","90","","145.05","0.03","90","","1516.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","GG1112","Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid","Acta Crystallographica Section C","2002","58","7","o399","o401","10.1107/S0108270102009241","","","0.71073","MoKα","","0.117","0.048","","","0.101","0.121","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012813","7.5182","0.0015","25.125","0.005","10.612","0.002","90","","106.07","0.03","90","","1926.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-isopropoxyphenyl)-5-oxo-1-(4-tolyl)pyrrolidine-2-carbonitrile","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","GG1112","Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid","Acta Crystallographica Section C","2002","58","7","o399","o401","10.1107/S0108270102009241","","","0.71073","MoKα","","0.087","0.049","","","0.115","0.142","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012814","10.661","0.002","11.69","0.002","20.698","0.004","90","","138.6","0.03","90","","1705.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-chlorobenzoyl)-2-phenylpyrrolidine-2-carboxamide","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","GG1113","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide","Acta Crystallographica Section C","2002","58","7","o386","o388","10.1107/S0108270102008636","","","0.71073","MoKα","","0.094","0.048","","","0.124","0.148","","","0.951","","","0.951","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012815","12.665","0.003","12.214","0.002","9.3453","0.0019","90","","91.98","0.03","90","","1444.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-furoyl)-2-phenylpyrrolidine-2-carboxamide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","GG1113","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide","Acta Crystallographica Section C","2002","58","7","o386","o388","10.1107/S0108270102008636","","","0.71073","MoKα","","0.046","0.037","","0.117","","0.125","","","1.005","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012816","8.1782","0.0018","32.06","0.012","8.709","0.003","90","","94.68","0.03","90","","2275.8","1.3","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Ni O4 P2 S4 -","- C42 H56 Ni O4 P2 S4 -","- C84 H112 Ni2 O8 P4 S8 -","2","0.5","GG1114","Özcan, Yusuf; Ide, Semra; Karakus̨, Mehmet; Yılmaz, Hamza","<i>trans</i>-Bis[<i>O</i>-2,4-di-<i>tert</i>-butylphenyl (4-methoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","2002","58","7","m388","m389","10.1107/S0108270102008764","","","0.71073","MoKα","","","0.0498","","","","0.1409","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012817","15.698","0.003","15.337","0.003","19.957","0.004","90","","90","","90","","4804.9","1.6","120","","120","","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^P,S,P'](triphenylphosphine- κP)platinum(II) diperchlorate acetone solvate","","- C49 H49 Cl2 O9 P3 Pt S -","- C49 H49 Cl2 O9 P3 Pt S -","- C196 H196 Cl8 O36 P12 Pt4 S4 -","4","0.5","GG1116","Andreasen, Lars V.; Hazell, Alan; Wernberg, Ole","[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^<i>P</i>,<i>S</i>,<i>P</i>'](triphenylphosphine-κ<i>P</i>)platinum(II) diperchlorate acetone solvate","Acta Crystallographica Section C","2002","58","7","m385","m387","10.1107/S0108270102009186","","","0.71073","MoKα","","","0.032","","","","0.036","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012818","7.7405","0.0002","8.3297","0.0002","11.3317","0.0003","82.257","0.0009","71.5605","0.0008","62.7543","0.001","616.17","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(2-Iodobenzylidene)-3-nitroaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C26 H18 I2 N4 O4 -","2","1","GG1119","Wardell, James L.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","<i>N</i>-(2-Iodobenzylidene)-3-nitroaniline: sheets formed by a combination of C—H···O hydrogen bonds and two aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","7","o428","o430","10.1107/S0108270102008624","","","0.71073","MoKα","","0.03","0.028","","","0.067","0.068","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012819","5.9376","0.0004","5.9376","0.0004","22.0966","0.0009","90","","90","","120","","674.65","0.07","293","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","Tl3 H (SO4)2","Trithallium hydrogen bis(sulfate)","","- H O8 S2 Tl3 -","- O8 S2 Tl3 -","- O24 S6 Tl9 -","3","0.0833333","IZ1021","Matsuo, Yasumitsu; Kawachi, Shinya; Shimizu, Yuya; Ikehata, Seiichiro","Trithallium hydrogen bis(sulfate), Tl~3~H(SO~4~)~2~, in the super-ionic phase by X-ray powder diffraction","Acta Crystallographica Section C","2002","58","7","i92","i94","10.1107/S0108270102008569","","","1.54184","CuKα","","","","","","","","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012820","9.5024","0.0006","12.6678","0.0007","14.637","0.001","95.929","0.005","106.777","0.005","104.1","0.005","1607.25","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetra-n-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^C^1^,C^4^)palladium(0)]","","- C56 H96 Cl2 N2 O16 Pd2 -","- C56 H96 Cl2 N2 O16 Pd2 -","- C56 H96 Cl2 N2 O16 Pd2 -","1","0.5","LN1139","Pérez, José; García, Luis; Serrano, Jose Luis; Pérez, Eduardo; Sánchez, Gregorio; Vives, Jorge","Bis(tetra-<i>n</i>-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^<i>C</i>^1^,<i>C</i>^4^)palladium]","Acta Crystallographica Section C","2002","58","7","m404","m406","10.1107/S0108270102009642","","","0.71073","MoKα","","0.026","0.022","","","0.054","0.055","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012821","27.4797","0.0002","6.7734","0.0002","7.4212","0.0005","90","","92.026","0.001","90","","1380.45","0.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-diphenyl-1,4-benzoquinonediamine","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.087","0.062","","","0.152","0.17","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012822","25.678","0.004","7.4815","0.0013","6.9588","0.0012","90","","90","","90","","1336.9","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-diphenyl-1,4-phenylenediamine","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.077","0.049","","","0.121","0.133","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012823","10.9886","0.0004","12.3322","0.0004","11.9612","0.0005","90","","112.829","0.0002","90","","1493.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C64 H64 N4 O12 S4 -","2","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna; N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.081","0.066","","","0.176","0.196","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012824","8.312","0.002","10.611","0.001","23.595","0.002","90","","90.76","0.01","90","","2080.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-{[(diphenyloxyphosphoryl)methylhydrazono]methyl}-4H-1-benzopyran-4-one","","- C23 H19 N2 O5 P -","- C23 H19 N2 O5 P -","- C92 H76 N8 O20 P4 -","4","1","NA1572","Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Grabowski, Sławomir J.; Nawrot-Modranka, Jolanta","A benzopyran derivative substituted at position 3","Acta Crystallographica Section C","2002","58","7","o405","o406","10.1107/S0108270102008508","","","0.71073","MoKα","","0.059","0.039","","","0.124","0.13","","","","","","1.138","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012825","6.412","0.001","14.569","0.002","19.144","0.003","90","","105.02","0.01","90","","1727.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dienyl-3-endoacetaldehyde 2,4-dinitrophenylhydrazone","2-(exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-endo-yl)acetaldehyde 2,4-dinitrophenylhydrazone","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","1","NA1574","Abdul Ajees, A.; Palani, N.; Balasubramanian, K. K.","2-(<i>exo</i>-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-<i>endo</i>-yl)acetaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2002","58","7","o433","o435","10.1107/S010827010200968X","","","1.5418","CuKα","","0.112","0.067","","","0.183","0.214","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012826","8.8713","0.0002","18.5116","0.0001","22.1042","0.0005","90","","90","","90","","3629.99","0.12","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","NA1575","Ma, Chengbing; Chen, Feng; Zhang, Xiaofeng; Chen,Changneng; Liu, Qiutian","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate dihydrate","Acta Crystallographica Section C","2002","58","7","m401","m403","10.1107/S0108270102009320","","","0.71073","MoKα","","","0.0383","","","0.0832","0.0967","","","","","","1.043","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012827","15.2278","0.0008","15.8992","0.0005","8.5558","0.0003","90","","97.586","0.0011","90","","2053.31","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl N-[2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl]glycinate","","- C22 H23 N5 O4 -","- C22 H23 N5 O4 -","- C88 H92 N20 O16 -","4","1","NA1576","Low, John N.; Glidewell, Christopher; Quesada, Antonio; Nogueras, Manuel; Sánchez, Adolfo","Ethyl <i>N</i>-(2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl)glycinate: sheets built from a three-centre N—H···(N,O), and two-centre C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2002","58","7","o425","o427","10.1107/S0108270102009575","","","0.71073","MoKα","","0.1684","0.0689","","","0.1373","0.1761","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012828","5.225","0.001","6.166","0.001","7.079","0.001","84.03","0.03","76.88","0.03","77.81","0.03","216.73","0.07","295","2","293","2","","","","","","","","3","P -1","-P 1","2","3-amino-1,2,4-triazine","3-amino-1,2,4-triazine","","- C3 H4 N4 -","- C3 H4 N4 -","- C6 H8 N8 -","2","1","NA1577","Perpétuo, Genivaldo Julio; Janczak, Jan","3-Amino-1,2,4-triazine","Acta Crystallographica Section C","2002","58","7","o431","o432","10.1107/S0108270102009733","","","0.71073","MoKα","","0.059","0.034","","","0.07","0.083","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012829","15.5724","0.0003","7.4976","0.0002","24.264","0.0005","90","","128.498","0.001","90","","2217.16","0.09","120","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","potassium 2-butyl-4-chloro-1-{[2'-(5-tetrazolido)biphenyl-4-yl]methyl}-1H-imidazol- 5-ylmethanol","","- C22 H22 Cl K N6 O -","- C22 H22 Cl K N6 O -","- C88 H88 Cl4 K4 N24 O4 -","4","1","NA1578","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.; Echeverría, Gustavo","Losartan potassium, a non-peptide agent for the treatment of arterial hypertension","Acta Crystallographica Section C","2002","58","7","m418","m420","10.1107/S0108270102009745","","","0.71073","MoKα","","","0.043","","","","0.116","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012830","8.0338","0.0006","24.627","0.002","7.4087","0.0005","90","","106.872","0.002","90","","1402.7","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C56 H60 N20 O8 -","4","1","NA1579","MacLean, Elizabeth J.; Low, John N.; Quesada, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine from synchrotron data at 150K: double chains built from N—H···N, N—H···O, N—H···π(arene) and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","7","o442","o444","10.1107/S0108270102010387","","","0.6867","synchrotron","","0.0755","0.0474","","","0.1146","0.1252","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012831","9.8888","0.001","10.7259","0.001","13.1808","0.001","69.45","0.01","82.737","0.01","70.075","0.01","1230.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[bis(μ-4,5-dihydrothiazole-2-thiolato)-tetrahedro-tetracopper(I)]- di-μ-4,5-dihydrothiazole-2-thiolato] dihydrate]","","- C12 H20 Cu4 N4 O2 S8 -","- C12 H16 Cu4 N4 O2 S8 -","- C24 H32 Cu8 N8 O4 S16 -","2","1","OB1063","Du, Ji-Min; Zeng, Hui-Yi; Dong, Zhen-Chao; Guo, Guo-Cong; Huang, Jin-Shun","<i>catena</i>-Poly[[[bis(μ-4,5-dihydrothiazole-2-thiolato)-<i>tetrahedro</i>-tetracopper(I)]-di-μ-4,5-dihydrothiazole-2-thiolato] dihydrate]","Acta Crystallographica Section C","2002","58","7","m396","m397","10.1107/S0108270102009198","","","0.71073","MoKα","","0.052","0.045","","","0.159","0.17","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012832","12.5921","0.0003","7.5227","0.0001","18.2511","0.0004","90","","95.915","0.001","90","","1719.66","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate","","- C18 H50 Cl4 Cr2 N10 O10 -","- C18 H50 Cl4 Cr2 N10 O10 -","- C36 H100 Cl8 Cr4 N20 O20 -","2","0.5","OB1068","Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul","Ethylenediammonium bis{bis[<i>N</i>-(2-aminoethyl)glycinato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]chromium(III)} tetrachloride dihydrate at 293 and 100 K","Acta Crystallographica Section C","2002","58","7","m409","m412","10.1107/S0108270102009885","","","0.71069","MoKα","","0.031","0.026","","","0.068","0.07","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012833","12.5546","0.0004","7.4907","0.0001","18.1157","0.0004","90","","95.939","0.001","90","","1694.51","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate","","- C18 H50 Cl4 Cr2 N10 O10 -","- C18 H50 Cl4 Cr2 N10 O10 -","- C36 H100 Cl8 Cr4 N20 O20 -","2","0.5","OB1068","Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul","Ethylenediammonium bis{bis[<i>N</i>-(2-aminoethyl)glycinato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]chromium(III)} tetrachloride dihydrate at 293 and 100 K","Acta Crystallographica Section C","2002","58","7","m409","m412","10.1107/S0108270102009885","","","0.71069","MoKα","","0.026","0.022","","","0.058","0.059","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012834","13.768","0.004","17.021","0.005","15.543","0.004","90","","105.424","0.005","90","","3511.2","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(2-cyanobenzyloxy)-2,8,14,20- tetrathiacalix[4]arene‒dichloromethane (1/2)","","- C74 H72 Cl4 N4 O4 S4 -","- C74 H72 Cl4 N4 O4 S4 -","- C148 H144 Cl8 N8 O8 S8 -","2","0.5","SK1542","Dong,Shujing; Zhu,Wenxiang; Yuan, Daqiang; Yan, Xi","5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-tetrakis(2-cyanobenzyloxy)-2,8,14,20-tetrathiacalix[4]arene‒dichloromethane (1/2)","Acta Crystallographica Section C","2002","58","7","o376","o377","10.1107/S0108270102008077","","","0.71073","MoKα","","0.1048","0.0596","","","0.1525","0.1864","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012835","11.7912","0.0012","8.4725","0.0007","14.768","0.004","90","","90","","90","","1475.3","0.4","293","2","294","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(trimethylphosphine)silver(I) hexafluorophosphate","","- C6 H18 Ag F6 P3 -","- C6 H18 Ag F6 P3 -","- C24 H72 Ag4 F24 P12 -","4","0.5","SK1552","Alyea, Elmer C.; Kannan, Shanmugaperumal; Meehan, Paul R.","Bis(trimethylphosphine)silver(I) hexafluorophosphate","Acta Crystallographica Section C","2002","58","7","m365","m367","10.1107/S0108270102007734","","","0.71073","MoKα","","0.047","0.032","","","0.091","0.095","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012836","15.0514","0.0002","19.5456","0.0002","23.0921","0.0006","108.046","0.0005","102.787","0.0006","101.308","0.0008","6037.06","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Triphenylsilanol","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","8","SK1558","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.","Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions","Acta Crystallographica Section C","2002","58","7","o409","o415","10.1107/S0108270102009381","","","0.71073","MoKα","","0.118","0.061","","","0.147","0.174","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012837","16.8842","0.0003","8.5391","0.0002","23.7053","0.0006","90","","96.131","0.001","90","","3398.18","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(triphenylsilanol) dimethyl sulfoxide solvate","","- C38 H38 O3 S Si -","- C38 H38 O3 S Si2 -","- C152 H152 O12 S4 Si8 -","4","0.5","SK1558","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.","Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions","Acta Crystallographica Section C","2002","58","7","o409","o415","10.1107/S0108270102009381","","","0.71073","MoKα","","0.071","0.042","","","0.097","0.109","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012838","9.3033","0.0003","11.6929","0.0005","14.7154","0.0006","87.73","0.003","80.906","0.003","87.804","0.0017","1578.58","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(triphenylsilanol) 1,4-dioxan solvate","","- C76 H72 O6 Si4 -","- C76 H72 O6 Si4 -","- C76 H72 O6 Si4 -","1","0.5","SK1558","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.","Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions","Acta Crystallographica Section C","2002","58","7","o409","o415","10.1107/S0108270102009381","","","0.71073","MoKα","","0.183","0.063","","","0.104","0.135","","","","","","0.917","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012839","6.6442","0.0001","10.307","0.0002","17.2597","0.0004","100.339","0.0008","98.6403","0.0009","103.697","0.0016","1106.51","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(4-nitrophenylsulfanylmethyl)triphenylstannane","","- C25 H21 N O2 S Sn -","- C25 H21 N O2 S Sn -","- C50 H42 N2 O4 S2 Sn2 -","2","1","SK1559","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","(4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: <i>R</i>f̱{_2^2}(<i>X</i>) rings (<i>X</i> is 10, 18 or 24) and C—H···π interactions","Acta Crystallographica Section C","2002","58","7","m413","m417","10.1107/S0108270102010375","","","0.71073","MoKα","","0.039","0.032","","","0.076","0.079","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012840","6.8715","0.0004","9.968","0.0005","17.6403","0.001","81.0264","0.0019","89.4798","0.0019","72.5146","0.0017","1137.42","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(4-nitrophenylsulfonylmethyl)triphenylstannane","","- C25 H21 N O4 S Sn -","- C25 H21 N O4 S Sn -","- C50 H42 N2 O8 S2 Sn2 -","2","1","SK1559","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","(4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: <i>R</i>f̱{_2^2}(<i>X</i>) rings (<i>X</i> is 10, 18 or 24) and C—H···π interactions","Acta Crystallographica Section C","2002","58","7","m413","m417","10.1107/S0108270102010375","","","0.71073","MoKα","","0.019","0.018","","","0.046","0.046","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012841","28.2157","0.0011","28.2157","0.0011","14.2592","0.0004","90","","90","","120","","9831.2","0.6","160","1","160","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxamide","","- C23 H29 N3 O4 -","- C23 H29 N3 O4 -","- C414 H522 N54 O72 -","18","1","SK1560","Linden, Anthony; Şafak, Cihat; Kismetlı, Emrah","<i>N</i>,<i>N</i>-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide","Acta Crystallographica Section C","2002","58","7","o436","o438","10.1107/S0108270102010314","","","0.71073","MoKα","","0.089","0.047","","","0.078","0.09","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2012842","20.515","0.003","10.4596","0.0011","20.517","0.003","90","","104.223","0.013","90","","4267.6","1","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","di-tert-butylsilanediol","","- C8 H20 O2 Si -","- C8 H20 O2 Si -","- C128 H320 O32 Si16 -","16","2","SK1561","Bats, Jan W.; Scholz, Stefan; Lerner, Hans-Wolfram","The low-temperature phase of di-<i>tert</i>-butylsilanediol","Acta Crystallographica Section C","2002","58","7","o439","o441","10.1107/S010827010201034X","","","0.71073","MoKα","","0.078","0.051","","","0.111","0.13","","","","","","1.22","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012843","11.0515","0.0017","18.2104","0.0012","4.3441","0.0011","90","","90.47","0.02","90","","874.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4,7-diiodo-2,1,3-benzothiadiazole","","- C6 H2 I2 N2 S -","- C6 H2 I2 N2 S -","- C24 H8 I8 N8 S4 -","4","1","TA1368","Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro","4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)","Acta Crystallographica Section C","2002","58","7","o373","o375","10.1107/S0108270102008296","","","0.71069","MoKα","","0.026","0.019","","","0.05","0.055","","","","","","0.963","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012844","20.892","0.014","33.38","0.02","3.942","0.003","90","","90","","90","","2749","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","7,7'-diiodo-4,4'-bis(2,1,3-benzothiadiazole)","","- C12 H4 I2 N4 S2 -","- C12 H4 I2 N4 S2 -","- C96 H32 I16 N32 S16 -","8","0.5","TA1368","Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro","4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)","Acta Crystallographica Section C","2002","58","7","o373","o375","10.1107/S0108270102008296","","","0.71069","MoKα","","0.057","0.055","","","0.151","0.152","","","","","","1.212","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012845","16.675","0.003","7.871","0.0014","14.339","0.003","90","","116.839","0.003","90","","1679.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Di(1-naphthyl)ditelluride","alpha-naphthylditelluride","","- C20 H14 Te2 -","- C20 H14 Te2 -","- C80 H56 Te8 -","4","0.5","TA1375","Schulz Lang, Ernesto; Burrow, Robert Alan; Silveira, Edson Tarabal","Bis(1-naphthyl) ditelluride","Acta Crystallographica Section C","2002","58","7","o397","o398","10.1107/S0108270102008284","","","0.71073","MoKα","","0.036","0.028","","","0.067","0.069","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012846","7.2171","0.0006","18.541","0.003","20.176","0.006","90","","90","","90","","2699.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","","- C31 H42 N2 O2 -","- C31 H42 N2 O2 -","- C124 H168 N8 O8 -","4","1","VJ1164","Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P.","16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2002","58","7","o421","o422","10.1107/S0108270102009319","","","1.5418","CuKα","","0.049","0.043","","","0.117","0.123","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012847","6.104","0.001","10.3202","0.0018","11.96","0.002","94.863","0.003","94.078","0.003","99.867","0.003","736.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibenzyl 2,2'-(ethane-1,2-diylidene)dihydrazinecarbodithioate dimethylformamide disolvate","","- C24 H32 N6 O2 S4 -","- C24 H32 N6 O2 S4 -","- C24 H32 N6 O2 S4 -","1","0.5","BJ1039","Xu, Li; Zhou, Jian-Hao; Chen, Xue-Tai; You, Xiao-Zeng","Dibenzyl 2,2'-(ethane-1,2-diylidene)dihydrazinecarbodithioate bis(dimethylformamide) solvate","Acta Crystallographica Section C","2002","58","8","o513","o514","10.1107/S0108270102011411","","","0.71073","MoKα","","0.074","0.048","","","0.123","0.13","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012848","11.484","0.003","18.385","0.006","9.509","0.003","90","","90","","90","","2007.7","1.1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,5-bis[(N-B)-(2-aminoethoxy)phenylboryl]thiophene","","- C20 H24 B2 N2 O2 S -","- C20 H24 B2 N2 O2 S -","- C80 H96 B8 N8 O8 S4 -","4","0.5","BM1498","Cox, Philip J.; Wardell, James L.","Coordinative N→B bond formation and hydrogen-bonded molecular ladders in 2,5-bis[(<i>N</i>\ρightarrow <i>B</i>)-(2-aminoethoxy)phenylboryl]thiophene","Acta Crystallographica Section C","2002","58","8","o515","o517","10.1107/S0108270102010594","","","0.71073","MoKα","","0.112","0.04","","","0.065","0.075","","","","","","0.629","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012849","7.9977","0.0003","15.923","0.0006","12.1212","0.0004","90","","124.194","0.002","90","","1276.77","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate","","- C20 H18 Cl2 Cu2 N8 O8 -","- C20 H18 Cl2 Cu2 N8 O8 -","- C40 H36 Cl4 Cu4 N16 O16 -","2","0.5","BM1502","Hallam, Matthew J.; Kilner, Colin A.; Halcrow, Malcolm A.","Bis[μ-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate","Acta Crystallographica Section C","2002","58","8","m445","m446","10.1107/S010827010201154X","","","0.71073","MoKα","","0.0445","0.0369","","","0.0898","0.0941","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012850","6.7379","0.0001","26.7454","0.0004","10.6473","0.0002","90","","105.429","0.0006","90","","1849.58","0.05","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)disulfane","","- C16 H24 Cl2 O2 S2 -","- C16 H24 Cl2 O2 S2 -","- C64 H96 Cl8 O8 S8 -","4","1","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.069","0.038","","","0.082","0.093","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012851","13.0673","0.0001","25.7808","0.0002","13.1619","0.0001","90","","114.667","0.0003","90","","4029.43","0.05","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)trisulfane","","- C16 H24 Cl2 O2 S3 -","- C16 H24 Cl2 O2 S3 -","- C128 H192 Cl16 O16 S24 -","8","2","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.048","0.033","","","0.08","0.086","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012852","11.1372","0.0001","13.0843","0.0001","16.3379","0.0002","71.8478","0.0005","89.8055","0.0005","73.5431","0.0005","2160.2","0.04","253","1","253","1","","","","","","","","5","P -1","-P 1","2","","1,4-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)tetrasulfane","","- C16 H24 Cl2 O2 S4 -","- C16 H24 Cl2 O2 S4 -","- C64 H96 Cl8 O8 S16 -","4","2","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.065","0.041","","","0.102","0.114","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012853","7.1475","0.0001","7.1475","0.0001","46.3268","0.0008","90","","90","","90","","2366.69","0.06","160","1","160","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","1,6-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)hexasulfane","","- C16 H24 Cl2 O2 S6 -","- C16 H24 Cl2 O2 S6 -","- C64 H96 Cl8 O8 S24 -","4","0.5","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.092","0.043","","","0.074","0.085","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012854","6.6027","0.001","8.9552","0.001","16.844","0.002","90","","90","","90","","996","0.2","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","Potassium closo-13-oxopentamolybdate","","- K Mo5 O13 -","- K Mo5 O13 -","- K4 Mo20 O52 -","4","0.25","BR1369","Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad","KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~","Acta Crystallographica Section C","2002","58","8","i106","i108","10.1107/S0108270102007886","","","0.71073","MoKα","","0.043","0.037","","","0.094","0.1","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012855","6.697","0.001","9.027","0.001","17.047","0.002","90","","90","","90","","1030.6","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium niobium antimony oxide (1/1.76/3.24)","","- K Nb1.76 O13 Sb3.24 -","- K Nb1.76 O13 Sb3.24 -","- K4 Nb7.04 O52 Sb12.96 -","4","0.25","BR1369","Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad","KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~","Acta Crystallographica Section C","2002","58","8","i106","i108","10.1107/S0108270102007886","","","0.71069","MoKα","","0.028","0.023","","","0.07","0.072","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012856","6.528","0.003","7.956","0.004","9.501","0.004","104.03","0.04","109.17","0.02","101.66","0.03","430.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Heptairon tetrakis(hydrogenphosphate) bis(phosphate)","","- Fe7 H4 O24 P6 -","- Fe7 H4 O24 P6 -","- Fe7 H4 O24 P6 -","1","0.5","BR1377","Zhou, Bei-Chuan; Yao, You-Wei; Wang, Ru-Ji","Heptairon bis(phosphate) tetrakis(hydrogenphosphate)","Acta Crystallographica Section C","2002","58","8","i109","i110","10.1107/S0108270102009873","","","0.71073","MoKα","","0.053","0.043","","","0.1","0.106","","","","","","1.027","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012857","9.6384","0.0005","9.6723","0.0005","9.7512","0.0005","90","","102.465","0.001","90","","887.63","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hydrated rubidium gallium phosphate","Rubidium aqua-μ~3~-hydroxo-di-μ-phosphato-digallium hydrate","","- Ga2 H5 O11 P2 Rb -","- Ga2 H5 O11 P2 Rb -","- Ga8 H20 O44 P8 Rb4 -","4","1","BR1379","Beitone, Lionel; Loiseau, Thierry; Ferey, Gerard","Rb(GaPO~4~)~2~(OH)(H~2~O)·H~2~O: a hydrated rubidium gallium phosphate analogue of GaPO~4~·2H~2~O and leucophosphite","Acta Crystallographica Section C","2002","58","8","i103","i105","10.1107/S0108270102010600","","","0.71073","MoKα","","0.027","0.024","","0.064","","0.062","","","0.963","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012858","14.392","0.003","21.233","0.004","22.172","0.004","90","","106.95","0.03","90","","6481","2","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorobis(4,4',4''-tri-tert-butyl-2,2';6',2''-terpyridine- κ^3^N)terbium(III) diperchlorate ethanol disolvate","","- C58 H84 Cl3 N6 O11 Tb -","- C57.98 H70 Cl3 N6 O10.99 Tb -","- C231.92 H280 Cl12 N24 O43.96 Tb4 -","4","1","DN1012","Mürner, Hans-Ruedi; Scopelliti, Rosario; Bünzli, Jean-Claude G.","Aquachlorobis(4,4',4''-tri-<i>tert</i>-butyl-2,2';6',2''-terpyridine-κ^3^<i>N</i>)terbium(III) diperchlorate ethanol disolvate","Acta Crystallographica Section C","2002","58","8","m434","m435","10.1107/S0108270102009939","","","0.7107","MoKα","","0.112","0.065","","","0.177","0.203","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012859","12.5976","0.0003","7.7874","0.0003","14.8929","0.0005","90","","94.427","0.002","90","","1456.67","0.08","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-benzenesulfonylmethyl-2-methyl-5-nitro-imidazol-1-yl)-ethanol","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","DN1013","Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A.","2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole","Acta Crystallographica Section C","2002","58","8","o496","o498","10.1107/S0108270102011964","","","0.71073","MoKα","","0.0505","0.0462","","","0.1087","0.1129","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012860","11.1646","0.0004","8.8148","0.0002","13.0731","0.0004","90","","93.542","0.002","90","0.002","1284.11","0.07","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-benzenesulfonylmethyl-2-methyl-5-nitro-thiazole","","- C11 H10 N2 O4 S2 -","- C11 H10 N2 O4 S2 -","- C44 H40 N8 O16 S8 -","4","1","DN1013","Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A.","2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole","Acta Crystallographica Section C","2002","58","8","o496","o498","10.1107/S0108270102011964","","","0.71073","MoKα","","0.0389","0.0364","","","0.0957","0.0973","","","","","","1.161","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012861","7.9689","0.0011","7.603","0.0008","24.654","0.003","90","","90","","90","","1493.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-nitrophenylacetonitrile","(2-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.048","0.041","","","0.119","0.123","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012862","5.3641","0.0004","11.5157","0.0009","12.1981","0.001","90","","100.369","0.002","90","","741.19","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-nitrophenylacetonitrile","(3-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.047","0.039","","","0.115","0.118","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012863","8.1695","0.0007","5.9775","0.0005","15.726","0.0013","90","","100.695","0.002","90","","754.61","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitrophenylacetonitrile","(4-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.046","0.039","","","0.117","0.12","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012864","14.0005","0.0009","6.0243","0.0002","24.4427","0.0006","90","","91.903","0.003","90","","2060.44","0.16","132","1","132","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Hydroxy(4-nitrophenyl)methylene]diphosphonic acid tetrahydrofuran disolvate","","- C15 H25 N O11 P2 -","- C15 H25 N O11 P2 -","- C60 H100 N4 O44 P8 -","4","1","FG1653","Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry","[Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers","Acta Crystallographica Section C","2002","58","8","o521","o524","10.1107/S0108270102012386","","","0.71073","MoKα","","0.058","0.045","","","0.088","0.096","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012865","8.42","0.02","23.05","0.01","5.91","0.02","90","","97.7","0.2","90","","1137","5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[Hydroxy(phenyl)methylene]diphosphonic acid monohydrate","","- C7 H12 O8 P2 -","- C7 H12 O8 P2 -","- C28 H48 O32 P8 -","4","2","FG1653","Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry","[Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers","Acta Crystallographica Section C","2002","58","8","o521","o524","10.1107/S0108270102012386","","","1.5418","CuKα","","0.05","0.04","","","0.095","0.096","","","","","","1.124","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2012866","11.324","0.001","9.855","0.001","35.012","0.001","90","","90","","90","","3907.3","0.5","294","1","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cilostazol","6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one","","- C20 H27 N5 O2 -","- C20 H27 N5 O2 -","- C160 H216 N40 O16 -","8","1","FG1656","Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.","Polymorphic forms of cilostazol","Acta Crystallographica Section C","2002","58","8","o525","o527","10.1107/S0108270102012544","","","0.71073","MoKα","","0.058","0.042","","0.045","","0.042","","","2.102","","","1.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012867","5.148","0.001","10.739","0.001","35.279","0.001","90","","94.07","0.001","90","","1945.5","0.4","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cilostazol","6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one","","- C20 H27 N5 O2 -","- C20 H27 N5 O2 -","- C80 H108 N20 O8 -","4","1","FG1656","Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.","Polymorphic forms of cilostazol","Acta Crystallographica Section C","2002","58","8","o525","o527","10.1107/S0108270102012544","","","0.71073","MoKα","","0.084","0.043","","0.11","","0.041","","","4.189","","","1.621","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012868","5.207","0.002","5.876","0.003","15.339","0.007","82.21","0.01","81.43","0.01","72.17","0.01","439.8","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","Methyl (R)-5-{2-[1-(tert-butoxycarbonylamino)ethyl]-thiazol-4-yl}-penta- (E,E)-2,4-dienoate","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","1","1","FR1371","Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.","Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones","Acta Crystallographica Section C","2002","58","8","o447","o449","10.1107/S0108270102007503","","","0.7107","MoKα","","0.037","0.035","","","0.098","0.1","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012869","10.078","0.001","8.882","0.001","8.512","0.001","90","","109.89","0.01","90","","716.48","0.14","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-methyl-8-oxa-16-thia-3,17-diazabicyclo[12.2.1]heptadeca-(Z,E)- 1(17),10,12,14-tetraene-4,9-dione","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C28 H32 N4 O6 S2 -","2","1","FR1371","Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.","Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones","Acta Crystallographica Section C","2002","58","8","o447","o449","10.1107/S0108270102007503","","","0.71073","MoKα","","0.035","0.03","","","0.068","0.07","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012870","6.859","0.0018","9.273","0.002","7.925","0.002","90","","114.082","0.005","90","","460.2","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-diaqua-dichloro-(μ-1,4-dioxane-O,O')-iron(II)","","- C4 H12 Cl2 Fe O4 -","- C4 H12 Cl2 Fe O4 -","- C8 H24 Cl4 Fe2 O8 -","2","0.5","FR1377","Speer Jr, Richard L.; Pinkerton, A. Alan","<i>catena</i>-Poly[[diaquadichloroiron(II)]-μ-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2002","58","8","m441","m442","10.1107/S0108270102010508","","","0.71073","MoKα","","0.0381","0.0348","","","0.0908","0.0935","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012871","15.153","0.006","9.386","0.003","17.122","0.006","90","","93.629","0.014","90","","2430.3","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalene-1-acetic acid monohydrate","","- C12 H18 O4 -","- C12 H18 O4 -","- C96 H144 O32 -","8","2","FR1380","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-(2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalen-1-yl)acetic acid: hydrogen-bonding pattern of the monohydrate of an unsaturated bicyclic γ-keto acid","Acta Crystallographica Section C","2002","58","8","o491","o493","10.1107/S0108270102011526","","","0.71073","MoKα","","0.12","0.055","","","0.113","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012872","11.78","0.002","6.906","0.001","18.823","0.004","90","","103.88","0.03","90","","1486.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(Trichloroacetylimino)acridine monohydrate","","- C15 H11 Cl3 N2 O2 -","- C15 H11 Cl3 N2 O2 -","- C60 H44 Cl12 N8 O8 -","4","1","GD1205","Joanna Meszko; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(Trichloroacetylimino)acridine monohydrate","Acta Crystallographica Section C","2002","58","8","o460","o462","10.1107/S0108270102010399","","","0.71073","MoKα","","0.1903","0.0512","","","0.1463","0.1941","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012873","11.341","0.002","20.965","0.004","12.334","0.002","90","","117.8","0.03","90","","2594.1","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","melaminium phosphate hydrate","hexakis(2,4,6-triamino-1,3,5-triazin-1-ium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate","","- C18 H59 N36 O24 P5 -","- C18 H59 N36 O24 P5 -","- C36 H118 N72 O48 P10 -","2","1","GD1207","Janczak, Jan; Perpétuo, Genivaldo Julio","Hexakis(melaminium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate","Acta Crystallographica Section C","2002","58","8","o455","o459","10.1107/S0108270102010521","","","0.71073","MoKα","","0.044","0.03","","","0.062","0.067","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012874","17.929","0.0012","17.929","0.0012","5.2196","0.0005","90","","90","","90","","1677.8","0.2","105","2","293","2","","","","","","","","4","I 4","I 4","79","","N-(L-2-aminobutyryl)-L-alanine","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C56 H112 N16 O24 -","8","1","GD1209","Görbitz, Carl Henrik","<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate","Acta Crystallographica Section C","2002","58","8","o533","o536","10.1107/S0108270102011691","","","0.71073","MoKα","","0.081","0.079","","","0.179","0.18","","","","","","1.267","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012875","15.4292","0.0005","5.4602","0.0002","18.132","0.0006","90","","113.505","0.001","90","","1400.81","0.08","105","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(L-alanylamino)-L-butyric acid","","- C7 H14.66 N2 O3.33 -","- C7 H14.6667 N2 O3.33333 -","- C42 H88 N12 O20 -","6","3","GD1209","Görbitz, Carl Henrik","<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate","Acta Crystallographica Section C","2002","58","8","o533","o536","10.1107/S0108270102011691","","","0.71073","MoKα","","0.057","0.037","","","0.071","0.074","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012876","17.555","0.002","11.708","0.002","16.696","0.008","90","","92.43","0.03","90","","3428.5","1.8","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Trimethorprim formate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium formate","","- C15 H20 N4 O5 -","- C15 H20 N4 O5 -","- C120 H160 N32 O40 -","8","1","GD1211","Umadevi, Balakrishnan; Prabakaran, Ponraj; Muthiah, Packianathan Thomas","A pseudo-quadruple hydrogen-bonding motif consisting of six N—H···O hydrogen bonds in trimethoprim formate","Acta Crystallographica Section C","2002","58","8","o510","o512","10.1107/S0108270102011150","","","1.54178","CuKα","","0.065","0.061","","","0.161","0.166","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012877","27.277","0.005","6.439","0.001","19.675","0.004","90","","94.06","0.03","90","","3447","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium","","- C38 H48 Cd N2 Si2 -","- C38 H48 Cd N2 Si2 -","- C152 H192 Cd4 N8 Si8 -","4","0.5","GD1214","Strohmann, Carsten; Schildbach, Daniel","Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium","Acta Crystallographica Section C","2002","58","8","m447","m449","10.1107/S0108270102011307","","","0.71073","MoKα","","0.043","0.039","","","0.1","0.103","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012878","27.215","0.005","6.41","0.001","19.576","0.004","90","","93.38","0.03","90","","3409.1","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[diphenyl(piperidinomethyl)silyl]methyl}magnesium","","- C38 H48 Mg N2 Si2 -","- C38 H48 Mg N2 Si2 -","- C152 H192 Mg4 N8 Si8 -","4","0.5","GD1214","Strohmann, Carsten; Schildbach, Daniel","Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium","Acta Crystallographica Section C","2002","58","8","m447","m449","10.1107/S0108270102011307","","","0.71073","MoKα","","0.058","0.044","","","0.109","0.115","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012879","8.6089","0.0001","13.205","0.0002","13.9083","0.0002","90","","90","","90","","1581.1","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","epoxy dodecane","(1S,3R,8S,9S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]- 9,10-epoxydodecane","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","GG1115","Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.","(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section C","2002","58","8","o518","o520","10.1107/S0108270102012283","","","0.71073","MoKα","","0.059","0.042","","","0.133","0.166","","","","","","1.198","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012880","8.9545","0.0004","10.6231","0.0006","9.0858","0.0006","90","","109.497","0.004","90","","814.72","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","dodec-9-one","(1S,3R,8S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec- 9-one","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C32 H48 Cl4 O2 -","2","1","GG1115","Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.","(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section C","2002","58","8","o518","o520","10.1107/S0108270102012283","","","0.71073","MoKα","","0.06","0.051","","","0.152","0.164","","","","","","1.234","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012881","11.4923","0.0006","7.9061","0.0004","14.3117","0.0007","90","","94.335","0.001","90","","1296.63","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitrophenyl 4-nitrophenyl disulfide","","- C12 H8 N2 O4 S2 -","- C12 H8 N2 O4 S2 -","- C48 H32 N8 O16 S8 -","4","1","GG1120","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Nitrophenyl 4-nitrophenyl disulfide","Acta Crystallographica Section C","2002","58","8","o485","o486","10.1107/S0108270102011344","","","0.71073","MoKα","","0.068","0.039","","","0.094","0.105","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012882","11.4056","0.0003","8.7364","0.0003","12.8357","0.0005","90","","109.005","0.0012","90","","1209.28","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-iodo-N-(3-Nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","GG1122","Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.","2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation","Acta Crystallographica Section C","2002","58","8","o487","o490","10.1107/S010827010201140X","","","0.71073","MoKα","","0.035","0.026","","","0.05","0.053","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012883","7.9024","0.0005","28.7265","0.0015","11.3019","0.0006","90","","90","","90","","2565.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-iodo-N-(3-Nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C104 H88 I8 N16 O16 -","8","1","GG1122","Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.","2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation","Acta Crystallographica Section C","2002","58","8","o487","o490","10.1107/S010827010201140X","","","0.71073","MoKα","","0.032","0.023","","","0.069","0.083","","","","","","1.211","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012884","20.5882","0.0014","6.4413","0.0006","11.7354","0.0006","90","","91.004","0.005","90","","1556","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3-Hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrobromide methanol hemisolvate","","- C16.5 H20 Br N O1.5 -","- C16.5 H18 Br N O1.5 -","- C66 H72 Br4 N4 O6 -","4","1","JZ1510","Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.","Two optically active isoquinoline derivatives","Acta Crystallographica Section C","2002","58","8","o503","o506","10.1107/S0108270102011915","","","1.54178","CuKα","","0.0297","0.0275","","","0.079","0.0809","","","","","","1.058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012885","11.097","0.002","11.742","0.002","21.829","0.004","90","","90","","90","","2844.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Formyl-3-hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","JZ1510","Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.","Two optically active isoquinoline derivatives","Acta Crystallographica Section C","2002","58","8","o503","o506","10.1107/S0108270102011915","","","1.54178","CuKα","","0.0496","0.0334","","","0.0918","0.0992","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012886","11.177","0.0014","12.0378","0.0018","12.7533","0.0009","90","","90","","90","","1715.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-sparteine zinc(II) dibromide","dibromo[(-)-sparteine-N,N']zinc(II)","","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","- C60 H104 Br8 N8 Zn4 -","4","1","LN1140","Lee, Yong-Min; Kang, Sung Kwon; Kim, Young-Inn; Choi, Sung-Nak","Dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section C","2002","58","8","m453","m454","10.1107/S0108270102011988","","","0.71073","MoKα","","0.0961","0.0526","","","0.0919","0.1043","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012887","8.52","0.002","12.095","0.002","22.323","0.005","90","","90","","90","","2300.4","0.8","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (3S,6R,9R)-(5-oxo-3-{N-[1(R)-phenylethyl]carbamoyl}- 1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate","","- C22 H33 N3 O5 -","- C22 H33 N3 O5 -","- C88 H132 N12 O20 -","4","1","LN1142","Soave, Raffaella; Destro, Riccardo","<i>tert</i>-Butyl (3<i>S</i>,6<i>R</i>,9<i>R</i>)-(5-oxo-3-{[1(<i>R</i>)-phenylethyl]carbamoyl}-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate at 95K","Acta Crystallographica Section C","2002","58","8","o507","o509","10.1107/S0108270102011538","","","0.71073","MoKα","","0.0489","0.0477","","","0.1081","0.1087","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012888","16.608","0.002","8.357","0.001","19.647","0.005","90","","93.3","0.01","90","","2722.3","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-N-phenylsulfonyl-indol-2-ylmethyl}phosphonate","","- C27 H26 Cl2 N O5 P S -","- C27 H26 Cl2 N O5 P S -","- C108 H104 Cl8 N4 O20 P4 S4 -","4","1","NA1565","Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim","Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate","Acta Crystallographica Section C","2002","58","8","o450","o454","10.1107/S0108270102009587","","","0.71069","MoKα","","0.11","0.059","","","0.15","0.181","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012889","16.837","0.001","8.323","0.001","19.611","0.001","90","","104.11","0.01","90","","2665.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Diethyl {3-[β-(4-bromophenyl)vinyl]-N-phenylsulfonyl-indol-2-ylmethyl}phosphonate","","- C27 H27 Br N O5 P S -","- C27 H27 Br N O5 P S -","- C108 H108 Br4 N4 O20 P4 S4 -","4","1","NA1565","Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim","Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate","Acta Crystallographica Section C","2002","58","8","o450","o454","10.1107/S0108270102009587","","","0.71073","MoKα","","0.136","0.05","","","0.118","0.144","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012890","7.306","0.001","15.247","0.003","13.014","0.002","90","","91.1","0.03","90","","1449.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","VB-2","Methyl 3-deoxy-2-S-methylmercurio-2-thio-β-D-manno-2-octulosonate-(2,6)","","- C10 H18 Hg O7 S -","- C10 H16 Hg O7 S -","- C40 H64 Hg4 O28 S4 -","4","2","OB1066","Belakhov, Valery; Botoshansky, Mark; Baasov, Timor","Methyl 2,3-dideoxy-2-<i>S</i>-methylmercurio-2-thio-β-<small>D</small>-<i>manno</i>-oct-2-ulopyranosonate-(2,6)","Acta Crystallographica Section C","2002","58","8","m450","m452","10.1107/S010827010201123X","","","0.7107","MoKα","","0.069","0.064","","","0.165","0.172","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012891","12.1194","0.0014","10.2869","0.0008","12.5048","0.0016","90","","115.864","0.008","90","","1402.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2'-hydroxyl-4''-dimethylaminochalcone","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Liu, Zhiqiang; Fang, Qi; Yu, Wentao; Xue, Gang; Cao, Duxia; Jiang, Minhua","2'-Hydroxyl-4''-dimethylaminochalcone","Acta Crystallographica, Section C","2002","58","","o445","o446","10.1107/S0108270102010247","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012892","12.924","0.001","11.412","0.001","17.084","0.001","90","","109.18","0.01","90","","2379.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(1,10-phenanthroline-κ^2^N,N')(thiosulfato-κ^2^O:S)manganese(II) methanol solvate","","- C25 H20 Mn N4 O4 S2 -","- C25 H16 Mn N4 O4 S2 -","- C100 H64 Mn4 N16 O16 S8 -","4","1","OB1070","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2002","58","8","m455","m458","10.1107/S0108270102012404","","","0.71073","MoKα","","0.058","0.044","","","0.119","0.125","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012893","15.38","0.0012","7.0779","0.0005","30.148","0.002","90","","90","","90","","3281.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-thiosulfato-κ^2^O:S]","","- C14 H16 Mn N2 O5 S2 -","- C14 H16 Mn N2 O5 S2 -","- C112 H128 Mn8 N16 O40 S16 -","8","1","OB1070","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2002","58","8","m455","m458","10.1107/S0108270102012404","","","0.71073","MoKα","","0.077","0.041","","","0.078","0.087","","","","","","0.853","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012894","9.812","0.002","11.141","0.001","11.443","0.002","82.47","0.01","77.56","0.01","89.46","0.01","1210.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","2","","Mondal, Swastik; Mukherjee, Monika; Roy, Arnab; Mukherjee, Debabrata; Helliwell, Madeleine","(1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol: a supramolecular framework built from O-H...O hydrogen bonds","Acta Crystallographica, Section C","2002","58","","o474","o476","10.1107/S0108270102010843","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2012895","20.191","0.002","13.4041","0.0014","12.1408","0.0014","90","","105.554","0.008","90","","3165.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetra-n-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C22 H36 N Ni S10 -","- C22 H36 N Ni S10 -","- C88 H144 N4 Ni4 S40 -","4","0.5","SK1555","Liu, Guoqun; Xue, Gang; Yu, Wentao; Xu, Wen","Tetra-<i>n</i>-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)","Acta Crystallographica Section C","2002","58","8","m436","m438","10.1107/S0108270102010764","","","0.71073","MoKα","","0.095","0.059","","","0.14","0.157","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012896","11.366","0.0002","14.4438","0.0002","17.6675","0.0002","78.148","0.001","87.016","0.001","75.485","0.001","2748.01","0.07","120","2","293","2","","","","","","","","8","P 1","P 1","1","","(5,10,15,20-Tetraphenylporphyrinato-κ^4^N)bis(L-valine-κN methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate","","- C58 H56 Cl2 F3 Fe N6 O7 S -","- C58 H56 Cl2 F3 Fe N6 O7 S -","- C116 H112 Cl4 F6 Fe2 N12 O14 S2 -","2","2","SK1557","Kobeissi, Marwan; Toupet, Loic; Simonneaux, Gerard","(5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)bis(<small>L</small>-valine-κ<i>N</i> methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate","Acta Crystallographica Section C","2002","58","8","m443","m444","10.1107/S0108270102011605","","","0.71069","MoKα","","0.09","0.049","","","0.113","0.133","","","","","","0.993","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2012897","9.7633","0.0004","10.9896","0.0004","16.621","0.0007","90","","90","","90","","1783.35","0.12","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino [2,3-d]oxazole","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","SK1563","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole","Acta Crystallographica Section C","2002","58","8","o477","o479","10.1107/S0108270102011083","","","0.71073","MoKα","","0.083","0.052","","","0.109","0.122","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012898","12.4812","0.0003","14.3317","0.0001","18.5727","0.0003","102.607","0.001","99.511","0.001","94.529","0.001","3174.64","0.1","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl- 9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d]oxazole","","- C43 H27 N O5 -","- C43 H27 N O5 -","- C172 H108 N4 O20 -","4","2","SK1563","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole","Acta Crystallographica Section C","2002","58","8","o477","o479","10.1107/S0108270102011083","","","0.71073","MoKα","","0.207","0.073","","","0.154","0.194","","","","","","0.748","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012899","14.7686","0.0003","14.7686","0.0003","13.1319","0.0003","90","","90","","90","","2864.22","0.11","160","1","160","1","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetraphenylarsonium tetraiodothallate(III)","","- C24 H20 As I4 Tl -","- C24 H20 As I4 Tl -","- C96 H80 As4 I16 Tl4 -","4","0.25","SK1564","Linden, Anthony; James, Bruce D.","Tetraphenylarsonium tetraiodothallate(III)","Acta Crystallographica Section C","2002","58","8","m439","m440","10.1107/S0108270102010636","","","0.71073","MoKα","","0.0416","0.0307","","","0.073","0.0776","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012900","14.1042","0.0005","7.056","0.0003","16.4004","0.0007","90","","90.113","0.0018","90","","1632.15","0.11","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,4-diazoniabicyclo[2.2.2]octane-N-[(hydroxyphosphinato)methyl]iminiodiacetate -water (1/1/1.5","","- C11 H25 N3 O8.5 P -","- C11 H25 N3 O8.5 P -","- C44 H100 N12 O34 P4 -","4","1","SK1565","Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","Self-assembled hydrogen-bonded bilayers in 1,4-diazabicyclo[2.2.2]octane‒<i>N</i>-(phosphonomethyl)iminodiacetic acid‒water (1/1/1.5)","Acta Crystallographica Section C","2002","58","8","o467","o469","10.1107/S0108270102010648","","","0.71073","MoKα","","0.055","0.038","","","0.088","0.096","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012901","4.8066","0.0003","9.5179","0.0006","6.1346","0.0004","90","","107.911","0.004","90","","267.05","0.03","292","2","292","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2-(hydroxymethyl)-1,2-propanediol","","- C4 H10 O3 -","- C4 H10 O3 -","- C8 H20 O6 -","2","0.5","SK1567","Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.","Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide","Acta Crystallographica Section C","2002","58","8","o499","o502","10.1107/S0108270102011800","","","0.71073","MoKα","","0.0483","0.0361","","","0.0946","0.103","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012902","11.6928","0.0011","5.661","0.0005","21.0034","0.0019","90","","92.7","0.002","90","","1388.7","0.2","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide","","- C11 H22 N2 O8 -","- C11 H22 N2 O8 -","- C44 H88 N8 O32 -","4","0.5","SK1567","Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.","Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide","Acta Crystallographica Section C","2002","58","8","o499","o502","10.1107/S0108270102011800","","","0.71073","MoKα","","0.0633","0.0481","","","0.1482","0.1874","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012903","29.457","0.004","14.06","0.002","14.703","0.002","90","","112.518","0.005","90","","5625.2","1.4","90","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H72 Co2 N10 S8 -","- C48 H72 Co2 N10 S8 -","- C192 H288 Co8 N40 S32 -","4","0.5","TA1380","Mochida, Tomoyuki; Takazawa, Kousuke; Matsushita, Michio M.; Sugawara, Tadashi","Bis(tetra-<i>n</i>-butylammonium) bis(μ-1,2-dicyanoethene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>')bis[(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobalt(III)]","Acta Crystallographica Section C","2002","58","8","m431","m433","10.1107/S0108270102010430","","","0.7107","MoKα","","","0.045","","","","0.067","","","","","","1.437","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012904","7.9459","0.0013","7.9698","0.0012","20.111","0.003","80.527","0.003","84.183","0.003","67.291","0.003","1157.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N10 S2 -","- C22 H20 Co N10 S2 -","- C44 H40 Co2 N20 S4 -","2","1","TR1029","Cai, Chen-Xin; Tian, Yun-Qi; Li, Yi-Zhi; You, Xiao-Zeng","The mononuclear cobalt(II) complex Co^II^(DMBDIZ)~2~(NCS)~2~, where DMBDIZ is 2,6-dimethylbenzo[1,2-<i>d</i>:4,5-<i>d</i>']diimidazole","Acta Crystallographica Section C","2002","58","8","m459","m460","10.1107/S0108270102011423","","","0.71073","MoKα","","0.0826","0.0558","","","0.1165","0.1273","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012905","8.9874","0.0002","11.163","0.0002","13.1879","0.0003","99.1532","0.0008","95.0138","0.0009","95.729","0.002","1292.52","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-pyridylmethanol)bis(saccharinato)zinc(II)","","- C26 H22 N4 O8 S2 Zn -","- C26 H22 N4 O8 S2 Zn -","- C52 H44 N8 O16 S4 Zn2 -","2","1","TR1032","Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A.","Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands","Acta Crystallographica Section C","2002","58","8","m427","m430","10.1107/S0108270102010491","","","0.71073","MoKα","","0.0441","0.0336","","","0.0762","0.0805","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012906","8.7516","0.0001","11.4547","0.0001","13.5442","0.0002","99.8079","0.0006","96.5191","0.0005","95.1327","0.0005","1321.03","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-pyridylmethanol)bis(saccharinato)cadmium(II)","","- C26 H22 Cd N4 O8 S2 -","- C26 H22 Cd N4 O8 S2 -","- C52 H44 Cd2 N8 O16 S4 -","2","1","TR1032","Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A.","Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands","Acta Crystallographica Section C","2002","58","8","m427","m430","10.1107/S0108270102010491","","","0.71073","MoKα","","0.0308","0.0274","","","0.0648","0.0664","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012907","7.9749","0.0002","8.0952","0.0003","8.1395","0.0003","69.3082","0.0018","66.657","0.002","67.3547","0.0015","432.59","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diiodo-4-nitrophenol","","- C6 H3 I2 N O3 -","- C6 H3 I2 N O3 -","- C12 H6 I4 N2 O6 -","2","1","TR1033","Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2002","58","8","o463","o466","10.1107/S0108270102010776","","","0.71073","MoKα","","0.035","0.032","","","0.096","0.115","","","","","","1.169","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012908","8.0608","0.0009","12.4501","0.0014","11.679","0.0013","90","","90","","90","","1172.1","0.2","292","2","292","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,6-Diiodo-4-nitrophenyl acetate","","- C8 H5 I2 N O4 -","- C8 H5 I2 N O4 -","- C32 H20 I8 N4 O16 -","4","0.5","TR1033","Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2002","58","8","o463","o466","10.1107/S0108270102010776","","","0.71073","MoKα","","0.057","0.041","","","0.103","0.112","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012909","15.2372","0.0003","16.2672","0.0004","8.3262","0.0002","90","","99.2039","0.0015","90","","2037.22","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-Diiodo-4-nitroanisole","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C56 H40 I16 N8 O24 -","8","1","TR1033","Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2002","58","8","o463","o466","10.1107/S0108270102010776","","","0.71073","MoKα","","0.038","0.033","","","0.074","0.077","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012910","8.5183","0.0006","10.2278","0.0008","11.3272","0.0009","66.635","0.001","71.387","0.001","82.976","0.001","858.54","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","meso-5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(3-carboxy-5-nitrobenzoate)","","- C32 H46 N6 O12 -","- C32 H46 N6 O12 -","- C32 H46 N6 O12 -","1","0.5","TR1034","MacLean, Elizabeth J.; Teat, Simon J.; Farrell, Dorcas M. M.; Ferguson, George; Glidewell, Christopher","The salt-type 1:2 adduct of <i>meso</i>-5,5,7,12,12,14-hexa-<i>C</i>-methyl-1,4,8,11-tetraazacyclotetradecane (tet-a) and 5-nitroisophthalic acid forms a hydrogen-bonded sheet structure containing two configurational isomers of [(tet-a)H~2~]^2+^","Acta Crystallographica Section C","2002","58","8","o470","o473","10.1107/S0108270102010958","","","0.6867","synchrotron","","0.069","0.062","","","0.16","0.165","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012911","9.15","0.001","9.491","0.001","16.839","0.002","83.01","0.01","85.26","0.01","76.39","0.01","1408.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazolo[3,4-d]pyrimidine","1,1'-(1,3-propanediyl)bis(5-benzyl-6-methylthio-4,5-dihydro-1H-pyrazolo [3,4-d]pyrimidine-4-one)","","- C29 H28 N8 O2 S2 -","- C29 H28 N8 O2 S2 -","- C58 H56 N16 O4 S4 -","2","1","VJ1169","Avasthi, Kamlakar; Tewari, Ashish; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R.","A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect of a bulky benzyl group on intermolecular stacking in comparison with methyl and ethyl groups","Acta Crystallographica Section C","2002","58","8","o494","o495","10.1107/S0108270102012039","","","0.71073","MoKα","","0.083","0.047","","","0.103","0.121","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012912","15.368","0.003","6.22","0.0012","23.142","0.005","90","","90.44","0.03","90","","2212.1","0.8","295","","295","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","0.5","AV1111","Kuźnik, Nikodem; Zawadiak, Jan; Gilner, Danuta; Wiȩckol, Angelika; Wagner, Paweł; Kubicki, Maciej","1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene","Acta Crystallographica Section C","2002","58","9","o549","o550","10.1107/S0108270102012945","","","0.71073","MoKα","","0.098","0.033","","","0.08","0.092","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012913","10.3406","0.0015","10.3406","0.0015","20.402","0.003","90","","90","","90","","2181.5","0.6","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","hexaaquacobalt(II) hypophosphite","hexaaquacobalt(II) bis(hypophosphite)","","- Co H16 O10 P2 -","- Co H16 O10 P2 -","- Co8 H128 O80 P16 -","8","0.25","AV1112","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.","Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2002","58","9","i129","i131","10.1107/S0108270102013094","","","0.71073","MoKα","","0.054","0.037","","","0.084","0.093","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012914","10.3111","0.0013","10.3111","0.0013","20.346","0.003","90","","90","","90","","2163.2","0.5","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","hexaaquacobalt(II)/nickel(II) hypophosphite","hexaaquacobalt(II)/nickel(II) (0.5/0.5) bis(hypophosphite)","","- Co0.5 H16 Ni0.5 O10 P2 -","- Co0.5 H16 Ni0.5 O10 P2 -","- Co4 H128 Ni4 O80 P16 -","8","0.25","AV1112","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.","Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2002","58","9","i129","i131","10.1107/S0108270102013094","","","0.71073","MoKα","","0.033","0.021","","","0.067","0.073","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012915","9.0193","0.0001","20.6107","0.0002","13.6609","0.0003","90","","104.372","0.001","90","","2460.01","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O12 -","- C24 H16 N6 O12 -","- C96 H64 N24 O48 -","4","1","AV1113","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Bo-Long Poh; Chatchanok Karalai","The ternary complex 4-(2-pyridyl)pyridinium‒3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid (1/1/1)","Acta Crystallographica Section C","2002","58","9","o589","o590","10.1107/S0108270102013100","","","0.71073","MoKα","","0.0748","0.0592","","","0.1369","0.1443","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012916","10.7999","0.0001","9.2851","0.0001","18.7949","0.0003","90","","90","","90","","1884.72","0.04","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino [2,3-d]thiazole","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","AV1114","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino[2,3-<i>d</i>]thiazole","Acta Crystallographica Section C","2002","58","9","o543","o544","10.1107/S0108270102013112","","","0.71073","MoKα","","0.0606","0.0494","","","0.1146","0.1301","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012917","6.387","0.0003","11.615","0.0008","6.884","0.0003","90","","105.1","0.003","90","","493.06","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","potassium vanadium tellurite","","- K O5 Te V -","- K O5 Te V -","- K4 O20 Te4 V4 -","4","1","BR1380","Rozier, Patrick; Vendier, Laure; Galy, Jean","KVTeO~5~ and a redetermination of the Na homologue","Acta Crystallographica Section C","2002","58","9","i111","i113","10.1107/S0108270102011708","","","0.71073","MoKα","","0.047","0.033","","0.068","","0.063","","","1.04","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012918","5.884","0.0002","11.376","0.0003","6.819","0.0002","90","","103.068","0.0017","90","","444.62","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","sodium vanadium tellurite","","- Na O5 Te V -","- Na O5 Te V -","- Na4 O20 Te4 V4 -","4","1","BR1380","Rozier, Patrick; Vendier, Laure; Galy, Jean","KVTeO~5~ and a redetermination of the Na homologue","Acta Crystallographica Section C","2002","58","9","i111","i113","10.1107/S0108270102011708","","","0.71073","MoKα","","0.019","0.018","","0.044","","0.043","","","1.074","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012919","3.838","0.0006","3.838","0.0006","29.145","0.007","90","","90","","90","","429.31","0.14","293","2","293","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- Ba0.87 Ca0.64 Cu2 Hg0.79 O7.56 Sr1.49 Tl1.21 -","- Ba0.87 Ca0.64 Cu2 Hg0.79 O7.56 Sr1.49 Tl1.21 -","- Ba1.74 Ca1.28 Cu4 Hg1.58 O15.12 Sr2.98 Tl2.42 -","2","0.0625","BR1382","Valldor, Martin; Bryntse, Ingrid; Morawski, Andrzej","The superconductor (Tl,Hg,Ca)~2~(Ba,Sr)~2~(Ca,Sr,Tl)Cu~2~O~7.6~","Acta Crystallographica Section C","2002","58","9","i126","i128","10.1107/S0108270102013148","","","0.71073","MoKα","","0.0292","0.0204","","","0.0202","0.0208","","","","2.29","2.29","2.41","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012920","9.3072","0.0005","28.7064","0.0014","9.6152","0.0003","90","","93.401","0.001","90","","2564.4","0.2","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H6 Na10 O29 S6 U -","- H6 Na10 O29 S6 U -","- H24 Na40 O116 S24 U4 -","4","1","BR1383","Burns, Peter C.; Hayden, Leslie A.","A uranyl sulfate cluster in Na~10~[(UO~2~)(SO~4~)~4~](SO~4~)~2~·3H~2~O","Acta Crystallographica Section C","2002","58","9","i121","i123","10.1107/S0108270102011812","","","0.71073","MoKα","","","0.019","","","","0.052","","","","","","1.048","","","","has coordinates,has Fobs","189249","2020-10-21","18:00:00",""
"2012921","12.1856","0.0005","4.3869","0.0002","11.8687","0.0005","90","","90","","90","","634.47","0.05","153","2","153","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","Dineodymium tritelluride","","- Nd2 Te3 -","- Nd2 Te3 -","- Nd8 Te12 -","4","0.5","BR1384","Ijjaali, Ismail; Ibers, James A.","Dineodymium tritelluride, Nd~2~Te~3~","Acta Crystallographica Section C","2002","58","9","i124","i125","10.1107/S0108270102012635","","","0.71073","MoKα","","0.02","0.02","","","0.046","0.046","","","","","","1.407","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012922","7.5493","0.0001","8.9297","0.0002","10.5701","0.0002","78.045","0.001","82.912","0.001","82.828","0.001","688.15","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","caesium tetrasilver dizinc thioyanate","caesium tetrasilver dizinc nonathiocyanate","","- C9 Ag4 Cs N9 S9 Zn2 -","- C9 Ag4 Cs N9 S9 Zn2 -","- C9 Ag4 Cs N9 S9 Zn2 -","1","0.5","BR1385","Günes̨, Minna; Valkonen, Jussi","Cs[Ag~4~Zn~2~(SCN)~9~]","Acta Crystallographica Section C","2002","58","9","i119","i120","10.1107/S0108270102013136","","","0.71073","MoKα","","","0.049","","","","0.114","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012923","9.9826","0.0001","9.504","0.0002","25.079","0.001","90","","90.667","0.005","90","","2379.2","0.11","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 5-[2-(2-aminophenylimino)-2-phenylethylidene]- 4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","","- C25 H21 Cl N4 O2 S -","- C25 H21 Cl N4 O2 S -","- C100 H84 Cl4 N16 O8 S4 -","4","1","DN1014","El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","Acta Crystallographica Section C","2002","58","9","o585","o588","10.1107/S0108270102012647","","","0.71073","MoKα","","0.049","0.042","","","0.123","0.145","","","","","","1.228","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012924","9.7619","0.0002","10.7465","0.0003","12.1924","0.0002","87.137","0.002","83.151","0.002","75.469","0.001","1229.04","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-{2-[2-(methylamino)phenylimino]-2-phenylethylidene}- 4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","","- C26 H23 N5 O4 S -","- C26 H23 N5 O4 S -","- C52 H46 N10 O8 S2 -","2","1","DN1014","El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","Acta Crystallographica Section C","2002","58","9","o585","o588","10.1107/S0108270102012647","","","0.71073","MoKα","","0.058","0.043","","","0.134","0.163","","","","","","1.172","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012925","8.2337","0.0001","30.7435","0.0003","30.3142","0.0002","90","","93.27","0.001","90","","7661.02","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Chlorotris(2,4,6-trimethylphenyl)tin(IV)","","- C27 H33 Cl Sn -","- C27 H33 Cl Sn -","- C324 H396 Cl12 Sn12 -","12","3","FG1654","Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.","Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate","Acta Crystallographica Section C","2002","58","9","m466","m468","10.1107/S0108270102012362","","","1.54178","CuKα","","0.08","0.049","","0.111","","0.101","","","0.939","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012926","8.2564","0.0001","16.8363","0.0001","19.5759","0.0001","94.996","0.001","96.568","0.001","90.539","0.001","2692.55","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trimesityl tin chloride ethanol hemisolvate","Chlorotris(2,4,6-trimethylphenyl)tin(IV) ethanol hemisolvate","","- C28 H36 Cl O0.5 Sn -","- C28 H36 Cl O0.5 Sn -","- C112 H144 Cl4 O2 Sn4 -","4","2","FG1654","Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.","Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate","Acta Crystallographica Section C","2002","58","9","m466","m468","10.1107/S0108270102012362","","","1.54178","CuKα","","0.07","0.046","","","0.107","0.115","","","","","","0.944","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012927","8.735","0.002","9.526","0.002","10.605","0.003","90","","91","0.02","90","","882.3","0.4","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","benzyl 2-hydroxo-3,4-di-O-acetyl-β-D-fucopyranoside","","- C17 H22 O7 -","- C17 H22 O7 -","- C34 H44 O14 -","2","1","FG1655","Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies","A comparative analysis of mono- and disaccharide benzyl fucopyranosides","Acta Crystallographica Section C","2002","58","9","o537","o539","10.1107/S0108270102012556","","","0.71073","MoKα","","","0.04","","","","0.13","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012928","8.901","0.001","14.261","0.001","25.583","0.001","90","","90","","90","","3247.4","0.4","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","O-(2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranosyl)- (1→2)-3,4-O-isopropylidene-β-D-fucopyranoside","","- C33 H40 O12 -","- C33 H40 O12 -","- C132 H160 O48 -","4","1","FG1655","Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies","A comparative analysis of mono- and disaccharide benzyl fucopyranosides","Acta Crystallographica Section C","2002","58","9","o537","o539","10.1107/S0108270102012556","","","0.71073","MoKα","","","0.041","","","","0.138","","","","","","0.89","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012929","7.2391","0.0014","17.2093","0.0011","12.3461","0.001","90","","98.066","0.01","90","","1522.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Methyl-1-phenylsulfanyl-1,2-dicarba-closo-dodecaborane(12)","2-Methyl-1-phenylsulfanyl-1,2-dicarba-closo-dodecaborane(12)","","- C9 H18 B10 S -","- C9 H18 B10 S -","- C36 H72 B40 S4 -","4","1","FR1379","Kivekäs, Raikko; Flores, Miquel Angles; Viñas, Clara; Sillanpää, Reijo","2-Methyl-1-phenylsulfanyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2002","58","9","o570","o571","10.1107/S0108270102012982","","","0.71069","MoKα","","0.104","0.05","","","0.116","0.135","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012930","12.058","0.002","7.054","0.001","24.398","0.005","90","","90","","90","","2075.2","0.6","90","0.2","90","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-aminophenyl)-2-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","GD1210","Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek","Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2002","58","9","o545","o548","10.1107/S0108270102011952","","","0.71073","MoKα","","0.058","0.042","","","0.104","0.112","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012931","17.779","0.004","5.535","0.001","10.652","0.002","90","","90","","90","","1048.2","0.4","90","0.2","90","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-aminophenyl)-1-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","GD1210","Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek","Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2002","58","9","o545","o548","10.1107/S0108270102011952","","","0.71073","MoKα","","0.035","0.031","","","0.065","0.067","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012932","8.4545","0.0005","12.5846","0.0008","8.4726","0.0005","90","","116.269","0.003","90","","808.36","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-bis(hydroxymethyl)-4-methylphenol","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0632","0.0433","","","0.1016","0.1109","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012933","4.6556","0.0005","14.593","0.0015","12.4616","0.0009","90","","96.658","0.004","90","","840.92","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-bis(hydroxymethyl)-4-methoxyphenol","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0612","0.0419","","","0.098","0.1087","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012934","11.1451","0.0011","13.5515","0.0012","8.1935","0.0009","90","","97.486","0.006","90","","1226.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-bis(hydroxymethyl)-4-phenoxyphenol","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.1376","0.0687","","","0.1398","0.1713","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012935","7.0604","0.0004","16.4995","0.0011","25.6678","0.0017","90","","90","","90","","2990.1","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-bis(hydroxymethyl)-4-[1-(4-methoxyphenyl)-1-methylethyl]phenol","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0637","0.0447","","","0.1082","0.1191","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012936","10.1338","0.0009","11.996","0.003","13.421","0.002","67.496","0.017","76.903","0.011","67.574","0.011","1387.1","0.5","298","2","293","","","","","","","","","4","P -1","-P 1","2","","3,6-Bis(dimethylamino)-10-(10-iododecyl)acridinium iodide","","- C27 H39 I2 N3 -","- C27 H39 I2 N3 -","- C54 H78 I4 N6 -","2","1","GD1217","Puliti, Raffaella; Mattia, Carlo Andrea; Mazzarella, Lelio","3,6-Bis(dimethylamino)-10-(10-iododecyl)acridinium iodide","Acta Crystallographica Section C","2002","58","9","o582","o584","10.1107/S0108270102013768","","","1.54178","CuKα","","0.072","0.05","","","0.142","0.16","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012937","14.8727","0.0007","9.4421","0.0005","18.5973","0.0009","90","","99.348","0.001","90","","2576.9","0.2","294","2","294","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Platinum(IV)tetra(p-methoxyphenyl)porphyrin dibromide","Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^N]platinum(IV) chloroform/acetonitrile solvate","","- C50.034 H38.603 Br2 Cl2.688 N4.569 O4 Pt -","- C52.068 H41.206 Br2 Cl5.376 N5.138 O4 Pt -","- C104.136 H82.412 Br4 Cl10.752 N10.276 O8 Pt2 -","2","0.5","GD1222","Tate, John R.; Kantardjieff, Katherine; Crundwell, Guy; Mink, Larry M.","Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>]platinum(IV) chloroform acetonitrile solvate","Acta Crystallographica Section C","2002","58","9","m485","m486","10.1107/S0108270102013859","","","0.71073","MoKα","","0.069","0.04","","","0.103","0.12","","","","","","0.817","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012938","7.2535","0.0008","10.3652","0.0012","10.5626","0.0012","99.262","0.002","94.862","0.002","105.844","0.002","747.05","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-guanidinoacetic acid-κ^2^O:O')bis[(nitrato-κ^2^O)copper(II)]","","- C12 H28 Cu2 N16 O20 -","- C12 H28 Cu2 N16 O20 -","- C12 H28 Cu2 N16 O20 -","1","0.5","GG1121","Jussara Lopes de Miranda; Judith Felcman; James L. Wardell; Janet M. S. Skakle","Tetrakis(μ-guanidinoacetic acid-κ^2^<i>O</i>:<i>O</i>')bis[(nitrato-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2002","58","9","m471","m474","10.1107/S0108270102013227","","","0.71073","MoKα","","0.0535","0.0417","","","0.1102","0.115","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012939","6.836","0.0012","7.6404","0.0014","8.7765","0.0016","82.37","0.02","75.05","0.02","79.46","0.02","433.63","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","TEX","4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane","","- C6 H6 N4 O8 -","- C6 H6 N4 O8 -","- C12 H12 N8 O16 -","2","1","GG1130","Karaghiosoff, Konstantin; Klapötke, Thomas M.; Michailovski, Alexej; Holl, Gerhard","4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane (TEX): a nitramine with an exceptionally high density","Acta Crystallographica Section C","2002","58","9","o580","o581","10.1107/S0108270102014774","","","0.71073","MoKα","","0.044","0.034","","","0.093","0.099","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012940","5.1865","0.0004","5.1865","0.0004","23.4881","0.0008","90","","90","","120","","547.18","0.06","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","bis[lead(II) carbonate] barium difluoride","","- C2 Ba F2 O6 Pb2 -","- C2 Ba F2 O6 Pb2 -","- C6 Ba3 F6 O18 Pb6 -","3","0.0833333","IZ1024","Weil, Matthias","The ordered hydrocerussite-type structure of (PbCO~3~)~2~·BaF~2~","Acta Crystallographica Section C","2002","58","9","i132","i134","10.1107/S0108270102013884","","","0.71073","MoKα","","0.02","0.02","","","0.044","0.044","","","","","","1.336","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012941","6.8195","0.0007","7.953","0.001","16.387","0.002","90","","99.811","0.008","90","","875.76","0.18","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cadmium acetylenedicarboxylate tetrahydrate","catena-poly[[[triaquacadmium(II)]-μ-acetylenedicarboxylato-κ^4^O,O':O'',O'''] monohydrate]","","- C4 H8 Cd O8 -","- C4 H8 Cd O8 -","- C16 H32 Cd4 O32 -","4","1","JZ1517","Ruschewitz, Uwe; Pantenburg, Ingo","[Cd{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first cadmium salt of acetylenedicarboxylic acid","Acta Crystallographica Section C","2002","58","9","m483","m484","10.1107/S0108270102014658","","","0.71073","MoKα","","0.028","0.02","","","0.047","0.048","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012942","5.4778","0.0006","9.8774","0.001","20.409","0.0016","98.79","0.07","94.06","0.08","99.93","0.09","1069.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate","","- C21 H37 N O2 -","- C21 H37 N O2 -","- C42 H74 N2 O4 -","2","1","LN1145","Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.","Ethyl 4-dodecyl-3,5-dimethyl-1<i>H</i>-pyrrole-2-carboxylate: intermolecular interactions in an amphiphilic pyrrole","Acta Crystallographica Section C","2002","58","9","o572","o574","10.1107/S0108270102013653","","","1.5418","CuKα","","0.0695","0.0474","","","0.143","0.1563","","","","","","1.137","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012943","13.672","0.0008","8.0201","0.0005","14.4687","0.0009","90","","106.101","0.001","90","","1524.27","0.16","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H2(Br4TPrPc)","3,6,13,16-tetrabromo-2,7,12,17-tetrapropylporphycene","","- C32 H34 Br4 N4 -","- C32 H34 Br4 N4 -","- C64 H68 Br8 N8 -","2","0.5","OB1071","Aritome, Isao; Shimakoshi, Hisashi; Hisaeda, Yoshio","3,6,13,16-Tetrabromo-2,7,12,17-tetrapropylporphycene","Acta Crystallographica Section C","2002","58","9","o563","o564","10.1107/S0108270102013483","","","0.71073","MoKα","","0.036","0.031","","","0.079","0.082","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012944","14.0187","0.0003","10.5729","0.0002","16.0212","0.0004","90","","103.836","0.001","90","","2305.73","0.09","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrakis(tetraethylammonium) cyclotetravanadate dihydrate","Tetrakis(tetraethylammonium) cyclo-tetra-μ-oxo-tetrakis[dioxovanadium(V)] dihydrate","","- C32 H84 N4 O14 V4 -","- C32 H84 N4 O14 V4 -","- C64 H168 N8 O28 V8 -","2","0.5","OB1072","Nakano, Hiroyuki; Ozeki, Tomoji; Yagasaki, Atsushi","(Et~4~N)~4~[V~4~O~12~]·2H~2~O","Acta Crystallographica Section C","2002","58","9","m464","m465","10.1107/S0108270102013008","","","0.71073","MoKα","","0.125","0.058","","","0.12","0.141","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012945","22.02","0.004","6.223","0.004","21.225","0.003","90","","91.61","0.01","90","","2907","2","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ca O20 -","- C24 H30 Ca O20 -","- C96 H120 Ca4 O80 -","4","0.5","OB1075","Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo","Bis(5-hydroxy-2-hydroxymethyl-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)bis(2-hydroxymethyl-5-oxido-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)calcium(II) tetrahydrate","Acta Crystallographica Section C","2002","58","9","m469","m470","10.1107/S0108270102013537","","","0.7107","MoKα","","","0.0476","","","","0.1516","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012946","12.748","0.002","7.476","0.003","16.657","0.002","90","","90.68","0.01","90","","1587.4","0.7","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8-Hydroxyquinaldinic acid","8-hydroxyquinolinium-2-carboxylate","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C80 H56 N8 O24 -","8","1","OB1077","Okabe, Nobuo; Muranishi, Yasunori","8-Hydroxyquinaldinic acid and its nickel(II) complex","Acta Crystallographica Section C","2002","58","9","m475","m477","10.1107/S0108270102013628","","","0.7107","MoKα","","","0.053","","","","0.197","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012947","9.237","0.001","15.865","0.003","7.2","0.001","97.63","0.01","106.95","0.01","101.9","0.01","966.4","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","bis(8-hydroxyquinoline-2-carboxylato-κ^3^O^2^,N,O^8^)nickel(II) trihydrate","","- C20 H18 N2 Ni O9 -","- C20 H18 N2 Ni O9 -","- C40 H36 N4 Ni2 O18 -","2","1","OB1077","Okabe, Nobuo; Muranishi, Yasunori","8-Hydroxyquinaldinic acid and its nickel(II) complex","Acta Crystallographica Section C","2002","58","9","m475","m477","10.1107/S0108270102013628","","","0.7107","MoKα","","","0.04","","","","0.134","","","","","","0.904","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012948","8.2712","0.0013","7.9726","0.0012","13.39","0.002","90","","90.762","0.012","90","","882.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","SK1562","Haberecht, Monika; Lerner, Hans-Wolfram; Bolte, Michael","The low-temperature phase of diisopropylammonium bromide","Acta Crystallographica Section C","2002","58","9","o555","o557","10.1107/S0108270102013379","","","0.71073","MoKα","","0.0532","0.0439","","","0.1095","0.114","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012949","5.3163","0.0003","8.1348","0.0004","27.259","0.002","90","","90","","90","","1178.87","0.12","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Tryptophan formic acid solvate","L-2-Amino-3-(1H-indol-3-yl)-propionic acid formic acid solvate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","SK1566","Hübschle, Christian B.; Dittrich, Birger; Luger, Peter","<small>L</small>-Tryptophan formic acid solvate at 183K","Acta Crystallographica Section C","2002","58","9","o540","o542","10.1107/S0108270102012489","","","0.71073","MoKα","","0.065","0.051","","","0.121","0.126","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012950","9.7451","0.0003","9.7451","0.0003","14.1764","0.0006","90","","90","","90","","1346.29","0.08","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","1,1'-di(hydrazinoethanoyl)2,2'-biimidazole monohydrate","","- C10 H16 N8 O3 -","- C10 H16 N8 O3 -","- C40 H64 N32 O12 -","4","0.5","SK1568","Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.","1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole","Acta Crystallographica Section C","2002","58","9","o565","o567","10.1107/S0108270102013458","","","0.71073","MoKα","","0.037","0.0316","","0.0798","","0.0767","","","1.118","","","1.139","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012951","10.0505","0.0005","4.9326","0.0002","15.4663","0.0007","90","","106.904","0.003","90","","733.61","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-di(hydrazinopropanoyl)-2,2'-biimidazole","","- C12 H18 N8 O2 -","- C12 H18 N8 O2 -","- C24 H36 N16 O4 -","2","0.5","SK1568","Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.","1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole","Acta Crystallographica Section C","2002","58","9","o565","o567","10.1107/S0108270102013458","","","0.71073","MoKα","","0.0495","0.0399","","0.108","","0.1009","","","1.045","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012952","13.5897","0.0001","18.7968","0.0001","10.9688","0.0001","90","","96.427","0.001","90","","2784.29","0.04","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1-pyridin-2-ylethanone-κN 4-phenylthiosemicarbazonato-κ^2^N^4^,S)manganese(II)","","- C28 H26 Mn N8 S2 -","- C28 H26 Mn N8 S2 -","- C112 H104 Mn4 N32 S8 -","4","0.5","SK1569","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; A. Sreekanth; S. Sivakumar; M. R. Pratapchandra Kurup","Bis[1-(pyridin-2-yl)ethanone-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^4^,<i>S</i>]manganese(II)","Acta Crystallographica Section C","2002","58","9","m461","m463","10.1107/S0108270102011976","","","0.71073","MoKα","","0.0738","0.0496","","","0.1241","0.145","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012953","13.4095","0.0007","8.5268","0.0006","15.0432","0.0009","90","","103.928","0.004","90","","1669.47","0.18","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(trichlorophosphino)iminium hexachloroniobate","","- Cl12 N Nb P2 -","- Cl12 N Nb P2 -","- Cl48 N4 Nb4 P8 -","4","0.5","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.038","0.0312","","","0.0773","0.0818","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012954","13.3957","0.0005","8.5165","0.0004","15.0937","0.0005","90","","103.855","0.003","90","","1671.86","0.12","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(trichlorophosphino)iminium hexachlorotantalate","","- Cl12 N P2 Ta -","- Cl12 N P2 Ta -","- Cl48 N4 P8 Ta4 -","4","0.5","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.0325","0.0272","","","0.0662","0.0694","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012955","8.9436","0.0004","9.0892","0.0004","14.2963","0.0006","91.77","0.002","105.714","0.003","107.973","0.002","1055.78","0.08","250","1","250","1","","","","","","","","4","P -1","-P 1","2","","Bis(trichlorophosphino)iminium tri-μ-chloro-bis[trichlorotitanium(IV)]","","- Cl15 N P2 Ti2 -","- Cl15 N P2 Ti2 -","- Cl30 N2 P4 Ti4 -","2","1","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.051","0.0363","","","0.0923","0.0989","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012956","18.0456","0.0004","11.4295","0.0006","15.7039","0.0005","90","","90","","90","","3239","0.2","250","1","250","1","","","","","","","","4","C m c a","-C 2ac 2","64","","Bis[bis(trichlorophosphino)iminium] di-μ-chloro-bis[tetrachlorozirconium(IV)]","","- Cl22 N2 P4 Zr2 -","- Cl22 N2 P4 Zr2 -","- Cl88 N8 P16 Zr8 -","4","","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.0419","0.0299","","","0.0703","0.0739","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012957","7.707","0.0002","16.1001","0.0003","14.3067","0.0004","90","","95.077","0.001","90","","1768.26","0.08","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N,N'-Dithiobisphthalimide‒nitrobenzene (2/1)","","- C38 H21 N5 O10 S4 -","- C38 H21 N5 O10 S4 -","- C76 H42 N10 O20 S8 -","2","1","SK1574","Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Low, John N.; Quesada, Antonio","<i>N</i>,<i>N</i>'-Dithiobisphthalimide‒nitrobenzene (2/1): a <i>Pn</i> solvate with localized solvent molecules ordered head-to-tail in channels","Acta Crystallographica Section C","2002","58","9","o551","o554","10.1107/S0108270102012830","","","0.71073","MoKα","","0.0737","0.0428","","","0.0857","0.0963","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012958","4.2626","0.0006","14.512","0.002","10.255","0.002","90","","92.272","0.011","90","","633.86","0.18","295","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiothymine","2,3-dihydro-5-methyl-2-thioxopyrimidin-4(1H)-one","","- C5 H6 N2 O S -","- C5 H6 N2 O S -","- C20 H24 N8 O4 S4 -","4","1","SK1576","Matković-Čalogović, Dubravka; Bešić, Erim; Sanković, Krešimir","5-Methyl-2-thiouracil","Acta Crystallographica Section C","2002","58","9","o568","o569","10.1107/S010827010201315X","","","0.71073","MoKα","","0.051","0.035","","","0.098","0.106","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012959","12.2764","0.0013","7.8543","0.0009","13.6935","0.0015","90","","101.666","0.002","90","","1293.1","0.2","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Dihydro-3,3-dimethylspiro[1H-4-oxanthracene-5,2'-oxiran]-10(5H)-one","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","SK1577","Ferreira, Vitor F.; Pinto, Antonio V.; Pinto, Maria C. R. F.; da Silva, Milton N.; Skakle, J. M. S.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.","2,3-Dihydro-3,3-dimethylspiro[1<i>H</i>-4-oxanthracene-5,2'-oxiran]-10(5<i>H</i>)-one","Acta Crystallographica Section C","2002","58","9","o560","o562","10.1107/S0108270102013665","","","0.71073","MoKα","","0.098","0.059","","","0.157","0.187","","","","","","1.014","","","","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",""
"2012961","14.991","0.001","10.633","0.001","15.064","0.001","90","","90","","90","","2401.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Dimorphorino-2-ethylium-1-dithioate","","- C10 H16 N2 O2 S2 -","- C10 H16 N2 O2 S2 -","- C80 H128 N16 O16 S16 -","8","1","TA1383","Fujihara, Takashi; Ohba, Takeshi; Nagasawa, Akira; Nakayama, Juzo; Yoza, Kenji","The stable inner salt 2,2-dimorpholino-2-ethylium-1-dithioate","Acta Crystallographica Section C","2002","58","9","o558","o559","10.1107/S0108270102013756","","","0.71073","MoKα","","0.0596","0.0453","","","0.0972","0.1032","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012962","14.006","0.003","12.951","0.003","15.011","0.003","90","","104.15","0.03","90","","2640.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaqua-1κ^4^O-bis(ε-caprolactam-1κO)-μ-cyano-1:2κ^2^N:C-pentacyano- 2κ^5^C-iron(III)yttrium(III)","","- C18 H30 Fe N8 O6 Y -","- C18 H30 Fe N8 O6 Y -","- C72 H120 Fe4 N32 O24 Y4 -","4","0.5","TA1385","Zhou, Bei Chuan; Kou, Hui-Zhong; He, Yi; Xiong, Ming; Wang, Ru-Ji; Li, Yadong","Tetraaqua-1κ^4^<i>O</i>-bis(ε-caprolactam-1κ<i>O</i>)-μ-cyano-1:2κ^2^<i>N</i>:<i>C</i>-pentacyano-2κ^5^<i>C</i>-iron(III)yttrium(III), a novel cyano-bridged dinuclear complex","Acta Crystallographica Section C","2002","58","9","m478","m480","10.1107/S0108270102014026","","","0.71073","MoKα","","0.064","0.044","","","0.082","0.087","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012963","5.5355","0.0011","13.56","0.003","9.6048","0.0019","90","","106.73","0.03","90","","690.4","0.3","120","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 Be F4 N2 -","- C3 H12 Be F4 N2 -","- C12 H48 Be4 F16 N8 -","4","1","BM1505","Gerrard, Lee A.; Weller, Mark T.","Propane-1,2-diammonium tetrafluoroberyllate","Acta Crystallographica Section C","2002","58","10","m504","m505","10.1107/S0108270102015718","","","0.71073","MoKα","","","0.03","","","","0.077","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012964","9.6977","0.0008","9.2191","0.0007","10.3008","0.0008","90","","92.624","0.007","90","","919.97","0.13","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(1'S,4aS,7R,8aR)-4a-ethyl-1-(1'-phenylethyl)octahydroquinolinium-7-ol bromide","","- C19 H30 Br N O -","- C19 H30 Br N O -","- C38 H60 Br2 N2 O2 -","2","1","BM1506","Vázquez, Edna; Galindo, Alberto; Bernès, Sylvain; Gnecco, Dino","(‒)-(1'<i>S</i>,4a<i>S</i>,7<i>R</i>,8a<i>R</i>)-4a-Ethyl-7-hydroxy-1-(1'-phenylethyl)perhydroquinolinium bromide","Acta Crystallographica Section C","2002","58","10","o591","o592","10.1107/S0108270102014725","","","0.71073","MoKα","","0.044","0.033","","","0.074","0.079","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012965","8.7343","0.0004","17.945","0.0009","28.723","0.0017","90","","90","","90","","4502","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2,2'-bipyridine-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C22 H16 Cl Cu N7 O4 -","- C22 H16 Cl Cu N7 O4 -","- C176 H128 Cl8 Cu8 N56 O32 -","8","1","BM1508","Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>^1^)(dicyanamido-κ<i>N</i>')copper(II) perchlorate and μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanamide coordination","Acta Crystallographica Section C","2002","58","10","m523","m528","10.1107/S0108270102015731","","","0.71073","MoKα","","0.064","0.036","","","0.084","0.091","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012966","10.2999","0.0009","14.3808","0.0012","16.4311","0.0016","74.12","0.01","83.371","0.011","80.046","0.01","2299.7","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","μ-dicyanamido-κ^2^N^1^:N^3^-bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] tris(perchlorate) ethanol hemisolvate","","- C43 H35 Cl3 Cu2 N11 O12.5 -","- C43 H35 Cl3 Cu2 N11 O12.5 -","- C86 H70 Cl6 Cu4 N22 O25 -","2","1","BM1508","Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>^1^)(dicyanamido-κ<i>N</i>')copper(II) perchlorate and μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanamide coordination","Acta Crystallographica Section C","2002","58","10","m523","m528","10.1107/S0108270102015731","","","0.71073","MoKα","","0.104","0.046","","","0.099","0.113","","","","","","0.837","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012967","9.5817","0.0002","9.5817","0.0002","7.829","0.0002","90","","90","","120","","622.48","0.02","293","","293","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Tetrastrontium dimanganese copper nonaoxide","","- Cu0.91 Mn2.09 O9 Sr4 -","- Cu0.90733 Mn2.09267 O9 Sr4 -","- Cu2.72199 Mn6.278 O27 Sr12 -","3","0.5","BR1374","El Abed, Ahmed; Gaudin, Etienne; Darriet, Jacques","Tetrastrontium dimanganese copper nonaoxide, Sr~4~Mn~2~CuO~9~","Acta Crystallographica Section C","2002","58","10","i138","i140","10.1107/S0108270102015639","","","0.71073","MoKα","","0.049","0.034","","","0.071","0.076","","","","1.07","1.07","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012968","6.8713","0.0004","8.8805","0.0005","4.8976","0.0003","90","","101.525","0.002","90","","292.83","0.03","295","","295","","","","","","","","","4","C 1 2/m 1","-C 2y","12","γ indium gadolinium digermanate","Indium gadolinium digermanium heptaoxide","","- Gd0.92 Ge2 In1.08 O7 -","- Gd0.92 Ge2 In1.08 O7 -","- Gd1.84 Ge4 In2.16 O14 -","2","0.25","BR1375","Juarez-Arellano, Erick-Adrian; Rosales, Ivonne; Bucio, Lauro; Orozco, Eligio","In~1.08~Gd~0.92~Ge~2~O~7~: a new member of the thortveitite family","Acta Crystallographica Section C","2002","58","10","i135","i137","10.1107/S0108270102013343","","","1.54056","CuKα~1~","","","","","","","","","","1.68","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012969","21.054","0.004","9.3083","0.0018","15.551","0.004","90","","106.15","0.02","90","","2927.4","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-ene-17β-ol bromide hemihydrate","","- C32 H46 Br N2 O1.5 -","- C32 H46 Br N2 O1.5 -","- C128 H184 Br4 N8 O6 -","4","1","DE1189","Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P.","3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-en-17β-ol bromide hemihydrate","Acta Crystallographica Section C","2002","58","10","o598","o599","10.1107/S0108270102013434","","","0.71073","MoKα","","0.062","0.034","","","0.072","0.089","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012970","8.5768","0.0005","9.8285","0.0009","10.7315","0.0007","96.288","0.006","92.042","0.004","106.338","0.005","860.79","0.11","299","1","299","1","","","","","","","","3","P -1","-P 1","2","","2-Methyl-1,4,5-triphenyl-1H-imidazole","","- C22 H18 N2 -","- C22 H18 N2 -","- C44 H36 N4 -","2","1","FG1661","Vázquez García, Rosa A.; Bernès, Sylvain; Gutiérrez Pérez, René; Martínez García, Marcos","2-Methyl-1,4,5-triphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2002","58","10","o619","o620","10.1107/S0108270102016220","","","0.71073","MoKα","","0.069","0.05","","","0.132","0.145","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012971","11.212","0.008","5.992","0.005","13.204","0.014","90","","110.16","0.03","90","","832.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","o-phenylenediamine phosphite","2-Aminoanilinium phosphite","","- C6 H11 N2 O3 P -","- C6 H11 N2 O3 P -","- C24 H44 N8 O12 P4 -","4","1","FR1382","Abdallah Khaoulana Idrissi; Mohamed Saadi; Mohamed Rafiq; Elizabeth M. Holt","2-Aminoanilinium phosphite","Acta Crystallographica Section C","2002","58","10","o604","o605","10.1107/S0108270102015184","","","0.71073","MoKα","","0.0715","0.0585","","","0.1535","0.1668","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012972","15.21","0.003","6.0099","0.0011","19.683","0.004","90","","96.814","0.003","90","","1786.5","0.6","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 complex of bis(4-aminophenyl)disulfide and 4-aminothiophenol","Bis(4-aminophenyl)disulfide-4-aminothiophenol (1/1)","","- C18 H19 N3 S3 -","- C18 H19 N3 S3 -","- C72 H76 N12 S12 -","4","1","FR1383","Vangala, Venu R.; Desiraju, Gautam R.; Jetti, Ram K. R.; Bläser, Dieter; Boese, Roland","A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol","Acta Crystallographica Section C","2002","58","10","o635","o636","10.1107/S0108270102012994","","","0.71073","MoKα","","0.0605","0.05","","","0.1178","0.1282","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012973","8.2525","0.0007","8.2653","0.0006","13.9594","0.0006","94.191","0.006","93.879","0.006","105.293","0.006","912.24","0.11","213","2","213","2","","","","","","","","4","P -1","-P 1","2","6-acetonyldihydroavicine","1-(5-methyl-5,6-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-j] phenanthridin-6-yl)acetone","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C46 H38 N2 O10 -","2","1","FR1384","Morel, Ademir F.; Gonzaga, Wellington de A.; Burrow, Robert A.; Maichle-Mössmer, Cäcilia; Strähle, Johannes","6-Acetonyldihydroavicine","Acta Crystallographica Section C","2002","58","10","o606","o607","10.1107/S0108270102015202","","","1.5418","CuKα","","0.0713","0.0444","","","0.1113","0.1249","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012974","6.0193","0.0011","8.2285","0.001","12.5811","0.0011","82.545","0.009","86","0.014","89.752","0.013","616.36","0.15","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(R)-mandelic acid (S)-alanine hemihydrate","","- C11 H16 N O5.5 -","- C11 H16 N O5.5 -","- C22 H32 N2 O11 -","2","2","FR1385","Hu, Zi-Qiang; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","(<i>R</i>)-Mandelic acid (<i>S</i>)-alanine hemihydrate","Acta Crystallographica Section C","2002","58","10","o612","o614","10.1107/S0108270102015688","","","0.71073","MoKα","","0.041","0.03","","","0.079","0.084","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012975","16.2812","0.0017","10.001","0.001","12.2564","0.0013","90","","110.72","0.02","90","","1866.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tmima boric acid","Tris[(1-methylimidazol-2-yl)methyl]amine boric acid","","- C15 H24 B N7 O3 -","- C15 H24 B N7 O3 -","- C60 H96 B4 N28 O12 -","4","1","FR1390","Mashuta, Mark S.; Cheruzel, Lionel; Buchanan, Robert M.","Tris[(1-methylimidazol-2-yl)methyl]amine‒boric acid (1/1)","Acta Crystallographica Section C","2002","58","10","o629","o631","10.1107/S0108270102016542","","","0.71073","MoKα","","0.054","0.042","","","0.102","0.11","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012976","20.006","0.005","11.072","0.003","11.882","0.003","90","","98.94","0.02","90","","2600","1.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-bipyridinium-1,1'-bis(2-ethylsulfonate)-bis(hydroquinone)","","- C26 H28 N2 O10 S2 -","- C26 H28 N2 O10 S2 -","- C104 H112 N8 O40 S8 -","4","0.5","GD1224","Robinson, Paul D.; Smith, Kevin R.; Vermeulen, Lori A.","A zwitterionic viologen disulfonate‒hydroquinone charge-transfer crystal: 2,2'-(4,4'-bipyridinium-1,1'-diyl)di(ethanesulfonate)‒hydroquinone (1/2)","Acta Crystallographica Section C","2002","58","10","o632","o634","10.1107/S0108270102016219","","","0.71069","MoKα","","0.066","0.033","","","0.086","0.098","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012977","6.7584","0.0008","20.145","0.004","11.255","0.002","90","","90","","90","","1532.3","0.4","289","2","289","2","","","","","","","","4","C m c 21","C 2c -2","36","","1,4-diazoniabicyclo[2.2.2]octane bis(maleate)","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","0.5","GD1226","Cui, Rong Sun; Zhi, Min Jin","The 2:1 complex of maleic acid and 1,4-diazabicyclo[2.2.2]octane: hydrogen-bonded sheets linked by C‒H···O hydrogen bonds","Acta Crystallographica Section C","2002","58","10","o600","o601","10.1107/S0108270102014956","","","0.71073","MoKα","","0.042","0.033","","","0.074","0.078","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012978","12.5588","0.0012","17.807","0.0012","6.9608","0.0006","90","","90.794","0.011","90","","1556.5","0.2","293","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[bis[[μ-cyano-1:2κ^2^C:N-diethylenetriamine- 2κ^3^N-copper(II)silver(I)]-μ-cyano-1:2'κ^2^C:N] dicyanosilver(I) tricyanodisilver(I)]","","- C17 H26 Ag5 Cu2 N15 -","- C17 H26 Ag5 Cu2 N15 -","- C34 H52 Ag10 Cu4 N30 -","2","0.5","GG1124","Černák, Juraj; Chomič, Jozef; Massa, Werner","Cu~2~(dien)~2~Ag~5~(CN)~9~ containing the one-dimensional polymeric cation [Cu(dien)Ag(CN)~2~]~<i>n~</i>^<i>n^+</i> and the unusual [Ag~2~(CN)~3~]^{-^} anion (dien is diethylenetriamine)","Acta Crystallographica Section C","2002","58","10","m490","m493","10.1107/S0108270102013240","","","0.71073","MoKα","","0.058","0.031","","","0.061","0.067","","","","","","0.876","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012979","8.872","0.001","9.249","0.001","10.456","0.001","91.71","0.01","114.11","0.01","117.88","0.01","665.8","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-acetato-κ^3^O,O':O')bis[bis(acetato-κ^2^O,O')diaquadysprosium(III)] tetrahydrate","","- C12 H34 Dy2 O20 -","- C12 H34 Dy2 O20 -","- C12 H34 Dy2 O20 -","1","0.5","GG1129","Baggio, Ricardo; Muñoz, Juan Carlos; Perec, Mireille","Bis(μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>')bis[bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquadysprosium(III)] tetrahydrate","Acta Crystallographica Section C","2002","58","10","m498","m500","10.1107/S010827010201510X","","","0.71073","MoKα","","0.041","0.041","","","0.095","0.095","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012980","7.665","0.002","10.533","0.002","9.263","0.002","90","","98.57","0.02","90","","739.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dibenzyldithioxamide","","- C16 H16 N2 S2 -","- C16 H16 N2 S2 -","- C32 H32 N4 S4 -","2","0.5","GG1132","Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe","<i>N</i>,<i>N</i>'-Dibenzyldithiooxamide","Acta Crystallographica Section C","2002","58","10","o608","o609","10.1107/S0108270102016025","","","0.71073","MoKα","","0.0424","0.0337","","","0.0934","0.096","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012981","7.29","0.004","10.648","0.006","28.353","0.016","93.685","0.01","94.922","0.011","100.811","0.01","2147","2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","(E)-(4-hydroxyphenyl)(4-nitrophenyl)diazene","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","4","GG1133","Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","(<i>E</i>)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (<i>E</i>)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (<i>E</i>)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","Acta Crystallographica Section C","2002","58","10","o624","o628","10.1107/S010827010201627X","","","0.71073","MoKα","","0.103","0.055","","","0.124","0.143","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012982","6.153","0.0012","7.55","0.0015","13.683","0.003","100.8","0.03","102.68","0.03","91.74","0.03","607.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-(4-methoxyphenyl)(4-nitrophenyl)diazene","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","GG1133","Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","(<i>E</i>)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (<i>E</i>)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (<i>E</i>)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","Acta Crystallographica Section C","2002","58","10","o624","o628","10.1107/S010827010201627X","","","0.71073","MoKα","","0.068","0.046","","","0.128","0.144","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012983","7.4279","0.0018","12.009","0.003","19.552","0.005","86.502","0.005","80.511","0.005","87.604","0.005","1716.1","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","(E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","","- C19 H20 Br N3 O -","- C19 H20 Br N3 O -","- C76 H80 Br4 N12 O4 -","4","2","GG1133","Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","(<i>E</i>)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (<i>E</i>)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (<i>E</i>)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","Acta Crystallographica Section C","2002","58","10","o624","o628","10.1107/S010827010201627X","","","0.71073","MoKα","","0.161","0.047","","","0.077","0.094","","","","","","0.676","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012984","8.678","0.003","10.815","0.003","11.899","0.004","67.566","0.005","89.831","0.005","71.435","0.005","969.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","01023a","poly[[[bis(2-methoxyethyl) ether]lithium(I)]-di-μ~3~-trifluoromethanesulfonato-lithium(I)]","","- C8 H14 F6 Li2 O9 S2 -","- C8 H14 F6 Li2 O9 S2 -","- C16 H28 F12 Li4 O18 S4 -","2","1","GG1134","Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H.","Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)]","Acta Crystallographica Section C","2002","58","10","m501","m503","10.1107/S0108270102015135","","","0.71073","MoKα","","0.054","0.041","","","0.107","0.116","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012985","9.545","0.004","13.871","0.006","15.589","0.007","90","","92.974","0.008","90","","2061.2","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[[bis(2-methoxyethyl) ether]lithium(I)]-di- μ-~3~-trifluoroacetato-dilithium(I)-μ~3~-trifluoroacatato]","","- C12 H14 F9 Li3 O9 -","- C12 H14 F8.99997 Li3 O9 -","- C48 H56 F35.9999 Li12 O36 -","4","1","GG1134","Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H.","Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)]","Acta Crystallographica Section C","2002","58","10","m501","m503","10.1107/S0108270102015135","","","0.71073","MoKα","","0.035","0.026","","","0.063","0.067","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012986","14.447","0.005","11.579","0.005","24.981","0.005","90","","95.195","0.005","90","","4162","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-tert-Butyl-N'-[(2-cyclohexylamino-5-nitrobenzene)sulfonyl]urea","","- C17 H26 N4 O5 S -","- C17 H26 N4 O5 S -","- C136 H208 N32 O40 S8 -","8","2","GG1135","Michaux, Catherine; Dogné, Jean-Michel; Norberg, Bernadette; Durant, François; Masereel, Bernard","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-(2-cyclohexylamino-5-nitrobenzenesulfonyl)urea, BM531, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition","Acta Crystallographica Section C","2002","58","10","o621","o623","10.1107/S0108270102016463","","","1.54178","CuKα","","0.079","0.047","","","0.12","0.136","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012987","10.836","0.002","12.606","0.002","8.331","0.001","93.19","0.02","99.83","0.02","109.65","0.02","1048.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate","","- H44 Na2 Ni2 O50 V10 -","- Na2 Ni2 O50 V10 -","- Na2 Ni2 O50 V10 -","1","0.5","IZ1023","Higami, Tomoyuki; Hashimoto, Masato; Okeya, Seichi","[Ni(H~2~O)~6~]~2~[Na(H~2~O)~3~]~2~[V~10~O~28~]·4H~2~O, bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate","Acta Crystallographica Section C","2002","58","10","i144","i146","10.1107/S0108270102015603","","","0.71069","MoKα","","0.146","0.058","","","0.128","0.152","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012988","8.7065","0.001","9.53","0.001","10.3274","0.001","73.35","0.018","86.9","0.02","80.5","0.02","809.69","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diammonium aqua-μ-carbonato-tri-μ-oxalatodineodymium(III) hydrate","","- C7 H12 N2 Nd2 O17 -","- C7 H12 N2 Nd2 O17 -","- C14 H24 N4 Nd4 O34 -","2","1","JZ1509","Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée","A neodymium(III)‒ammonium complex involving oxalate and carbonate ligands: (NH~4~)~2~[Nd~2~(C~2~O~4~)~3~(CO~3~)(H~2~O)]·H~2~O","Acta Crystallographica Section C","2002","58","10","m517","m520","10.1107/S0108270102014737","","","0.7107","MoKα","","0.033","0.024","","0.082","","0.058","","","1.151","","","0.881","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012989","7.945","0.003","9.262","0.003","11.701","0.003","85.13","0.02","89.34","0.03","80.35","0.03","845.8","0.5","293","2","293","3","","","","","","","","6","P -1","-P 1","2","","Aquanitrato(3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carboxaldehyde 3-methylisothiosemicarbazone-κ^3^O,N^1^,N^4^)copper(II) nitrate","","- C10 H16 Cu N6 O9 S -","- C10 H16 Cu N6 O9 S -","- C20 H32 Cu2 N12 O18 S2 -","2","1","JZ1514","Leovac, Vukadin M.; Jevtović, Violeta S.; Bogdanović, Goran A.","Transition metal complexes with thiosemicarbazide-based ligands. XLIV. Aqua(3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carboxaldehyde 3-methylisothiosemicarbazone-κ^3^<i>O</i>,<i>N</i>^1^,<i>N</i>^4^)nitratocopper(II) nitrate","Acta Crystallographica Section C","2002","58","10","m514","m516","10.1107/S010827010201586X","","","0.71073","MoKα","","0.045","0.034","","","0.09","0.095","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012990","8.7476","0.0004","15.3691","0.0006","11.0972","0.0004","90","","97.759","0.001","90","","1478.28","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diaqua-μ~2~-2,2'-bipyrimidinyl-κ^4^N^1^,N^1'^:N^3^,N^3'^)-di- μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato- κ^5^O^1^:O^2^:O^3^:O^3^:O^5^)tetracobalt(II) dihydrate","","- C26 H22 Co4 N4 O18 -","- C26 H22 Co4 N4 O18 -","- C52 H44 Co8 N8 O36 -","2","0.5","JZ1519","Plater, M. John; Foreman, Mark R. St J.; Howie, R. Alan","Polymeric diaqua(μ~2~-2,2'-bipyrimidinyl-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)-di-μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato-κ^5^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^5^)tetracobalt(II) dihydrate","Acta Crystallographica Section C","2002","58","10","m487","m489","10.1107/S0108270102014804","","","0.71073","MoKα","","0.028","0.024","","","0.065","0.067","","","","","","1.035","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2012991","9.254","0.0002","11.4154","0.0004","11.8476","0.0004","89.198","0.001","116.162","0.001","107.108","0.001","1063.82","0.06","100","2","100","","","","","","","","","3","P -1","-P 1","2","","9-methylfluoren-9-ol","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","2","JZ1524","Morris, David G.; Muir, Kenneth W.; Ryder, Karl S.","The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K","Acta Crystallographica Section C","2002","58","10","o615","o618","10.1107/S0108270102015822","","","0.71073","MoKα","","","0.049","","","","0.127","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012992","8.738","0.0002","11.4571","0.0003","11.7097","0.0004","90.952","0.002","103.462","0.001","106.225","0.001","1090.47","0.05","200","2","100","","","","","","","","","3","P -1","-P 1","2","","9-methylfluoren-9-ol","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","2","JZ1524","Morris, David G.; Muir, Kenneth W.; Ryder, Karl S.","The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K","Acta Crystallographica Section C","2002","58","10","o615","o618","10.1107/S0108270102015822","","","0.71073","MoKα","","","0.058","","","","0.156","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012993","6.8039","0.0014","17.011","0.003","6.1959","0.0012","90","","90","","90","","717.1","0.2","148","","148","2","","","","","","","","4","F m m 2","F 2 -2","42","2,6-diiodopyridine","2,6-diiodopyridine","","- C5 H3 I2 N -","- C5 H3 I2 N -","- C20 H12 I8 N4 -","4","0.25","LN1141","Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.","2,6-Diiodopyridine","Acta Crystallographica Section C","2002","58","10","o602","o603","10.1107/S0108270102014932","","","0.71073","MoKα","","0.02","0.02","","","0.0498","0.0498","","","","","","1.107","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012994","6.9306","0.0008","11.1084","0.0015","13.7591","0.0011","90","","90","","90","","1059.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-deoxy-β-D-erythro-furanosyl)-1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C40 H48 N16 O12 -","4","1","LN1143","He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans","The regioisomeric 1<i>H</i>(2<i>H</i>)-pyrazolo[3,4-<i>d</i>]pyrimidine <i>N</i>^1^- and <i>N</i>^2^-(2'-deoxy-β-<small>D</small>-ribofuranosides)","Acta Crystallographica Section C","2002","58","10","o593","o595","10.1107/S0108270102014944","","","0.71073","MoKα","","0.0542","0.0424","","","0.0985","0.1046","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012995","4.9396","0.0007","13.1528","0.0014","8.178","0.0012","90","","102.772","0.009","90","","518.17","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-deoxy-β-D-erythro-furanosyl)-2H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C20 H24 N8 O6 -","2","1","LN1143","He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans","The regioisomeric 1<i>H</i>(2<i>H</i>)-pyrazolo[3,4-<i>d</i>]pyrimidine <i>N</i>^1^- and <i>N</i>^2^-(2'-deoxy-β-<small>D</small>-ribofuranosides)","Acta Crystallographica Section C","2002","58","10","o593","o595","10.1107/S0108270102014944","","","0.71073","MoKα","","0.0332","0.0328","","","0.092","0.0924","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012996","14.2921","0.0009","14.2755","0.0009","11.1465","0.0007","90","","119.031","0.001","90","","1988.5","0.2","120","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Ca N2 O16 P4 -","- C6 H24 Ca N2 O16 P4 -","- C24 H96 Ca4 N8 O64 P16 -","4","0.5","OB1076","Fernández, Daniel; Vega, Daniel; Goeta, Andrés","The calcium-binding properties of pamidronate, a bone-resorption inhibitor","Acta Crystallographica Section C","2002","58","10","m494","m497","10.1107/S010827010201497X","","","0.71073","MoKα","","","0.035","","","","0.1","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012997","7.163","0.002","18.604","0.002","7.357","0.002","90","","113.38","0.02","90","","899.9","0.4","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 Cl Cu O5 -","- C6 H9 Cl Cu O5 -","- C24 H36 Cl4 Cu4 O20 -","4","1","OB1078","Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo","<i>catena</i>-Poly[[[aqua(2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ<i>O</i>^3^,<i>O</i>^4^)copper(II)]-μ-chloro] monohydrate]","Acta Crystallographica Section C","2002","58","10","m506","m508","10.1107/S0108270102015226","","","0.7107","MoKα","","","0.0205","","","","0.0578","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012998","8.462","0.004","6.612","0.004","21.456","0.003","90","","99.88","0.02","90","","1182.7","0.9","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cu N2 O6 -","- C22 H32 Cu N2 O6 -","- C44 H64 Cu2 N4 O12 -","2","0.5","OB1079","Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio","5-<i>n</i>-Butylpyridine-2-carboxylate‒copper(II) and ‒iron(III) complexes","Acta Crystallographica Section C","2002","58","10","m511","m513","10.1107/S0108270102015615","","","0.7107","MoKα","","","0.045","","","","0.166","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012999","9.946","0.005","22.271","0.005","14.072","0.004","90","","98.4","0.03","90","","3083.6","1.9","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Fe N3 O6 -","- C30 H36 Fe N3 O6 -","- C120 H144 Fe4 N12 O24 -","4","1","OB1079","Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio","5-<i>n</i>-Butylpyridine-2-carboxylate‒copper(II) and ‒iron(III) complexes","Acta Crystallographica Section C","2002","58","10","m511","m513","10.1107/S0108270102015615","","","0.7107","MoKα","","","0.062","","","","0.225","","","","","","0.925","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013000","8.871","0.002","8.875","0.002","14.161","0.004","106.54","0.02","100.6","0.02","100.93","0.03","1015.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis(isothiocyanato-κN)bis(methanol-κO)bis[2,4,6-tri(4-pyridyl)- 1,3,5-triazine-κN^4^]manganese(II)","","- C40 H32 Mn N14 O2 S2 -","- C40 H32 Mn N14 O2 S2 -","- C40 H32 Mn N14 O2 S2 -","1","0.5","OB1080","Kim, Jinkwon; Han, Sujin","<i>trans</i>-Bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis[2,4,6-tri(4-pyridyl)-1,3,5-triazine-κ<i>N</i>^2^]manganese(II)","Acta Crystallographica Section C","2002","58","10","m521","m522","10.1107/S0108270102016475","","","0.71073","MoKα","","0.069","0.049","","","0.122","0.132","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013001","6.3186","0.0013","8.0176","0.0016","9.7493","0.0019","97.96","0.03","92.49","0.03","92.68","0.03","487.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,3,5,7-tetraselenathiocalix[4]arene","1,3,5,7-Tetraselena-2,4,6,8(2,5)-tetrathiophenaoctaphane","","- C16 H8 S4 Se4 -","- C16 H8 S4 Se4 -","- C16 H8 S4 Se4 -","1","0.5","SK1580","Kunnari, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgren, Markku","1,3,5,7-Tetraselena-2,4,6,8(2,5)-tetrathiophenaoctaphane","Acta Crystallographica Section C","2002","58","10","o610","o611","10.1107/S0108270102015408","","","0.71073","MoKα","","0.041","0.033","","","0.087","0.091","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013002","12.961","0.008","7.979","0.005","18.113","0.011","90","","104.184","0.01","90","","1816.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","fleroxacin hydrochloride hydrate","4-[3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-quinolyl]- 1-methylpiperazinium chloride hydrate","","- C17 H21 Cl F3 N3 O4 -","- C17 H21 Cl F3 N3 O4 -","- C68 H84 Cl4 F12 N12 O16 -","4","1","TA1382","Zheng, Xiang-Jun; Zhao, Hui-Chun; Jin, Lin-Pei","Fleroxacin hydrochloride hydrate","Acta Crystallographica Section C","2002","58","10","o596","o597","10.1107/S0108270102014968","","","0.71073","MoKα","","0.067","0.038","","","0.089","0.1","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013003","31.172","0.01","10.407","0.003","19.116","0.006","90","","116.002","0.003","90","","5574","3","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(μ-methyliminodiethanolato-1κ^3^O,N,O';1:2κ^2^O)(methyliminodiethanolato- 2κ^3^O,N,O')dipropanolato-1κO,2κO-titanium(IV)zirconium(IV)","","- C21 H47 N3 O8 Ti Zr -","- C21.006 H44.186 N3 O8 Ti Zr -","- C168.048 H353.488 N24 O64 Ti8 Zr8 -","8","1","TA1389","Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim","A novel titanium‒μ-O‒zirconium complex: bis(μ-methyliminodiethanolato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>';1:2κ^2^<i>O</i>)(methyliminodiethanolato-2κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dipropanolato-1κ<i>O</i>,2κ<i>O</i>-titanium(IV)zirconium(IV)","Acta Crystallographica Section C","2002","58","10","m509","m510","10.1107/S0108270102015275","","","0.71073","MoKα","","0.072","0.043","","","0.098","0.104","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013004","13.285","0.006","5.394","0.002","13.75","0.006","90","","100.19","0.03","90","","969.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Dipotassium dimanganese tristrontium tris(diphosphate)","Dipotassium dimanganese tristrontium tris(diphosphate)","","- K2 Mn2 O21 P6 Sr3 -","- K2 Mn2 O21 P6 Sr3 -","- K4 Mn4 O42 P12 Sr6 -","2","1","TA1391","Aicha El Maadi; Ali Boukhari; Elizabeth M. Holt","Dipotassium tristrontium dimanganese tris(diphosphate)","Acta Crystallographica Section C","2002","58","10","i141","i143","10.1107/S0108270102015214","","","0.71073","MoKα","","0.1107","0.0663","","","0.1499","0.1736","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013005","8.5668","0.0005","11.9073","0.0006","14.0768","0.0008","109.195","0.001","103.383","0.001","96.374","0.001","1291.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Diaqua(18-crown-6)barium(II)sulfide saccharin","di-(μ-sulfido-1:2κ^2^S)bis[(diaqua-1,4,7,10,13,16-hexaoxacyclooctadecane- 6κO)barium(II)] bis(saccharin)","","- C38 H66 Ba2 N2 O22 S4 -","- C38 H66 Ba2 N2 O22 S4 -","- C38 H66 Ba2 N2 O22 S4 -","1","0.5","AV1115","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun","Di-μ-sulfido-bis[diaqua(18-crown-6)barium(II)]‒saccharin (1/2)","Acta Crystallographica Section C","2002","58","11","m534","m536","10.1107/S0108270102016712","","","0.71073","MoKα","","0.037","0.034","","","0.1","0.102","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013006","9.7563","0.0003","28.5733","0.001","7.2263","0.0002","90","","90","","90","","2014.47","0.11","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","cis-transoid-cis dicyclohexano-18-crown-6","cis-transoid-cis 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^9,14^]hexacosane","","- C20 H36 O6 -","- C20 H36 O6 -","- C80 H144 O24 -","4","0.5","AV1116","Kravtsov, Victor Ch.; Fonari, Marina S.; Zaworotko, Michael J.; Lipkowski, Janusz","A new polymorph of <i>cis</i>‒<i>transoid</i>‒<i>cis</i>-dicyclohexano-18-crown-6","Acta Crystallographica Section C","2002","58","11","o683","o684","10.1107/S0108270102018206","","","0.71073","MoKα","","0.133","0.046","","","0.087","0.102","","","","","","0.895","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013007","13.7492","0.0003","14.9672","0.0003","16.8669","0.0003","97.9362","0.0002","109.755","0.0007","108.864","0.0007","2969.64","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","triaqua(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^O)(2-nitrophenolato- κO)barium(II)‒2-nitrophenolate‒aqua(1,4,7,10,13,16- hexaoxacyclooctadecane-κ^6^O)bis(2-nitrophenolato-κ^2^O,O')barium(II) (1/1/1)","","- C48 H72 Ba2 N4 O28 -","- C48 H72 Ba2 N4 O28 -","- C96 H144 Ba4 N8 O56 -","2","1","AV1117","Chantrapromma, Suchada; Usman, Anwar; .; Fun, Hoong-Kun; .","A ternary complex of aqua(18-crown-6)bis(<i>o</i>-nitrophenolato)barium(II), the triaqua(18-crown-6)(<i>o</i>-nitrophenolato)barium(II) cation and the <i>o</i>-nitrophenolate anion","Acta Crystallographica Section C","2002","58","11","m531","m533","10.1107/S0108270102016451","","","0.71073","MoKα","","0.075","0.063","","","0.164","0.171","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013008","7.5707","0.0015","11.303","0.002","12.605","0.003","63.98","0.03","84.49","0.03","82.26","0.03","959.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","propylammonium tris(2-aminoethyl)amine-1κ^4^N-di-μ-thio-1:2κ^4^S-dithio- 2κ^2^S-antimony(V)nickel(II)","","- C9 H28 N5 Ni S4 Sb -","- C9 H28 N5 Ni S4 Sb -","- C18 H56 N10 Ni2 S8 Sb2 -","2","1","AV1121","Ralph Stähler; Wolfgang Bensch","The new thioantimonate(V) (C~3~H~10~N)[NiSbS~4~(C~6~H~18~N~4~)]","Acta Crystallographica Section C","2002","58","11","m537","m538","10.1107/S0108270102017754","","","0.71073","MoKα","","0.031","0.019","","","0.047","0.05","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013009","7.9273","0.0014","12.721","0.002","7.4773","0.0014","90","","102.382","0.006","90","","736.5","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-chloromethylpyridinium chloride","","- C6 H7 Cl2 N -","- C6 H7 Cl2 N -","- C24 H28 Cl8 N4 -","4","1","BM1509","Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine","Secondary interactions in <i>n</i>-(chloromethyl)pyridinium chlorides (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","2002","58","11","o665","o668","10.1107/S0108270102017018","","","0.71073","MoKα","","0.034","0.027","","","0.069","0.071","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013010","23.037","0.004","4.331","0.0008","14.855","0.003","90","","104.441","0.012","90","","1435.3","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-chloromethylpyridinium chloride","","- C6 H7 Cl2 N -","- C6 H7 Cl2 N -","- C48 H56 Cl16 N8 -","8","1","BM1509","Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine","Secondary interactions in <i>n</i>-(chloromethyl)pyridinium chlorides (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","2002","58","11","o665","o668","10.1107/S0108270102017018","","","0.71073","MoKα","","0.068","0.047","","","0.114","0.123","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013011","6.9531","0.0004","7.4755","0.0006","7.4978","0.0004","71.119","0.003","75.731","0.003","72.694","0.003","347.16","0.04","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","4-chloromethylpyridinium chloride","","- C6 H7 Cl2 N -","- C6 H7 Cl2 N -","- C12 H14 Cl4 N2 -","2","1","BM1509","Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine","Secondary interactions in <i>n</i>-(chloromethyl)pyridinium chlorides (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","2002","58","11","o665","o668","10.1107/S0108270102017018","","","0.71073","MoKα","","0.027","0.024","","","0.069","0.07","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013012","6.46","0.004","30.997","0.007","10.665","0.002","90","","90.22","0.04","90","","2135.6","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe5 K3 O24 P6 -","- Fe5 K3 O24 P6 -","- Fe20 K12 O96 P24 -","4","0.5","BR1386","Lajmi, Besma; Hidouri, Mourad; Ben Amara, Mongi","The iron phosphate K~3~Fe~5~(PO~4~)~6~","Acta Crystallographica Section C","2002","58","11","i156","i158","10.1107/S0108270102015251","","","0.56087","AgKα","","0.0254","0.0186","","","0.0487","0.0505","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013013","5.7148","0.0009","8.6568","0.0008","10.6906","0.0011","108.623","0.009","99.878","0.015","105.561","0.013","463.26","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,4'-ethylenedipyridinium dimaleate","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","1","0.5","DE1187","Zhang, Jing; Hou, Xueliang; Bu, Weifeng; Wu, Lixin; Ye, Ling; Yang, Guangdi; Fan, Yuguo","Hydrogen-bonded 1,2-bis(4-pyridyl)ethylene and maleic acid","Acta Crystallographica Section C","2002","58","11","o663","o664","10.1107/S0108270102017079","","","0.71073","MoKα","","0.097","0.066","","","0.166","0.188","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013014","14.559","0.002","10.755","0.002","15.346","0.004","90","","114.1","0.01","90","","2193.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4-Dimethoxy-7,11-diphenyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione monohydrate","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C92 H104 N8 O24 -","4","1","DE1191","Malathy Sony, S. M.; Kuppayee, M.; Ponnuswamy, M. N.; Bhasker Reddy, D.; Padmavathi, V.; Fun, Hoong-Kun","9,9-Dimethoxy-7,11-diphenyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione monohydrate","Acta Crystallographica Section C","2002","58","11","o678","o680","10.1107/S0108270102017080","","","0.71073","MoKα","","0.284","0.067","","","0.139","0.192","","","","","","0.742","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013015","5.903","0.001","5.903","0.001","45.164","0.004","90","","90","","90","","1573.8","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(S)-trans-cyclohexane-1,2-dicarboximide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","FA1000","Gdaniec, Maria; Nowak, Elżbieta; Milewska, Maria J.; Połoński, Tadeusz","(<i>S</i>)-<i>trans</i>-Cyclohexane-1,2-dicarboximide","Acta Crystallographica Section C","2002","58","11","o661","o662","10.1107/S0108270102018061","","","1.54178","CuKα","","0.044","0.041","","0.128","","0.125","","","1.053","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013016","7.6006","0.0006","21.16","0.0016","11.4733","0.0009","90","","98.916","0.001","90","","1822.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua(1,10-phenanthroline-κ^2^N,N')(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)manganese(II) monohydrate","","- C19 H15 Mn N3 O6 -","- C19 H15 Mn N3 O6 -","- C76 H60 Mn4 N12 O24 -","4","1","FG1665","Ma, Chengbing; Fan, Cheng; Chen, Changneng; Liu, Qiutian","Aqua(dipicolinato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) monohydrate","Acta Crystallographica Section C","2002","58","11","m553","m555","10.1107/S010827010201822X","","","0.71073","MoKα","","0.077","0.044","","","0.101","0.125","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013017","10.228","0.002","5.184","0.001","19.047","0.004","90","","103.6","0.03","90","","981.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyridinium-succinate-succinic acid (2/1/1)","","- C18 H24 N4 O8 -","- C18 H24 N4 O8 -","- C36 H48 N8 O16 -","2","0.5","FR1391","Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa","2-Aminopyridinium‒succinate‒succinic acid (2/1/1)","Acta Crystallographica Section C","2002","58","11","o691","o692","10.1107/S0108270102017808","","","0.71073","MoKα","","0.06","0.037","","","0.092","0.104","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013018","9.7278","0.001","17.907","0.003","13.541","0.002","90","","110.907","0.008","90","","2203.5","0.6","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-fluorophenyl)-3-(triphenylgermyl)propionic acid","","- C27 H23 F Ge O2 -","- C27 H23 F Ge O2 -","- C108 H92 F4 Ge4 O8 -","4","1","FR1392","Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib","Derivatives of substituted 3-trichlorogermylpropionic acid","Acta Crystallographica Section C","2002","58","11","m559","m562","10.1107/S010827010201795X","","","0.71073","MoKα","","0.035","0.028","","","0.067","0.07","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013019","10.984","0.003","13.71","0.004","20.245","0.005","90","","113.857","0.014","90","","2788.2","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-tolyl)-3-(tri-4-tolylgermyl)propionic acid","","- C31 H32 Ge O2 -","- C31 H32 Ge O2 -","- C124 H128 Ge4 O8 -","4","1","FR1392","Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib","Derivatives of substituted 3-trichlorogermylpropionic acid","Acta Crystallographica Section C","2002","58","11","m559","m562","10.1107/S010827010201795X","","","0.71073","MoKα","","0.081","0.043","","","0.098","0.115","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013020","10.476","0.002","16.337","0.003","15.119","0.005","90","","92.018","0.008","90","","2586","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(tribenzylgermyl)-3-(4-tolyl)propionic acid","","- C31 H32 Ge O2 -","- C31 H32 Ge O2 -","- C124 H128 Ge4 O8 -","4","1","FR1392","Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib","Derivatives of substituted 3-trichlorogermylpropionic acid","Acta Crystallographica Section C","2002","58","11","m559","m562","10.1107/S010827010201795X","","","0.71073","MoKα","","0.054","0.037","","","0.087","0.094","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013021","7.282","0.002","13.14","0.003","6.76","0.002","90","","90","","90","","646.8","0.3","174","2","174","2","","","","","","","","3","P n a 21","P 2c -2n","33","phthalaldehyde","benzene-1,2-dicarbaldehyde","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","FR1394","Britton, Doyle","<i>o</i>- and <i>m</i>-Benzenedicarbaldehyde","Acta Crystallographica Section C","2002","58","11","o637","o639","10.1107/S0108270102015597","","","0.71073","MoKα","","0.03","0.027","","","0.077","0.078","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013022","3.776","0.001","11.171","0.003","15.229","0.004","90","","94.98","0.01","90","","640","0.3","174","2","174","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","isophthalaldehyde","benzene-1,3-dicarboxaldehyde, polymorph A","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","FR1394","Britton, Doyle","<i>o</i>- and <i>m</i>-Benzenedicarbaldehyde","Acta Crystallographica Section C","2002","58","11","o637","o639","10.1107/S0108270102015597","","","0.71073","MoKα","","0.054","0.039","","","0.079","0.099","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013023","11.374","0.003","3.811","0.001","15.721","0.004","90","","110.419","0.01","90","","638.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","isophthalaldehyde","benzene-1,3-dicarbaldehyde, polymorph B","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","FR1394","Britton, Doyle","<i>o</i>- and <i>m</i>-Benzenedicarbaldehyde","Acta Crystallographica Section C","2002","58","11","o637","o639","10.1107/S0108270102015597","","","0.71073","MoKα","","0.049","0.042","","","0.117","0.118","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013024","7.3215","0.0002","12.048","0.0003","10.5082","0.0003","90","","98.877","0.001","90","","915.82","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C40 H40 F4 N4 O8 -","4","1","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.041","0.033","","","0.09","0.094","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013025","9.4933","0.0003","9.7792","0.0003","20.2345","0.0007","90","","90","","90","","1878.51","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","1","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.086","0.043","","","0.091","0.104","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013026","4.9811","0.0001","20.7383","0.0004","18.4869","0.0005","90","","93.021","0.001","90","","1907.03","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","2","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.093","0.046","","","0.097","0.113","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013027","14.1297","0.0005","16.0074","0.0007","15.699","0.001","90","","102.533","0.004","90","","3466.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-MI","7-methoxy-1H-indazole","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C144 H144 N36 O18 -","18","9","GD1218","Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain","7-Methoxy-1<i>H</i>-indazole, a new inhibitor of neuronal nitric oxide synthase","Acta Crystallographica Section C","2002","58","11","o688","o690","10.1107/S0108270102017948","","","0.71073","MoKα","","0.178","0.053","","","0.096","0.128","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013028","13.2734","0.0001","14.3376","0.0001","18.664","0.0002","90","","90","","90","","3551.92","0.05","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(S)-Ru(η^5^-C~5~H~5){(+)EPHOS}Cl","chloro(η^5^-cyclopentadienyl)-(+)-{(2S,3R)-2-[(diphenylphosphino)methylamino]- 3-phenylpropyl diphenylphosphinite-κ^2^P,P'}ruthenium(II)","","- C39 H38 Cl N O P2 Ru -","- C39 H38 Cl N O P2 Ru -","- C156 H152 Cl4 N4 O4 P8 Ru4 -","4","1","GD1228","Haquette, Pierre; Lebideau, Franck; Dagorne, Samuel; Marrot, Jérôme; Jaouen, Gérard","A new optically pure half-sandwich Cp‒Ru diphosphine complex with a chiral metal centre, (<i>S</i>)-Ru(η^5^-C~5~H~5~)(EPHOS)Cl {EPHOS is (+)-(1<i>R</i>,2<i>S</i>)-2-[(diphenylphosphino)methylamino]-1-phenylpropyl diphenylphosphinite}","Acta Crystallographica Section C","2002","58","11","m551","m552","10.1107/S0108270102018395","","","0.71073","MoKα","","0.073","0.038","","","0.067","0.078","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013029","10.1678","0.0004","11.297","0.0006","11.3566","0.0006","90","","90.284","0.003","90","","1304.47","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","","Lynch, Daniel E.; McClenaghan, Ian","1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone","Acta Crystallographica, Section C","2002","58","","o642","o644","10.1107/S0108270102017109","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013030","10.69","0.002","5.5066","0.0011","21.363","0.004","90","","90","","90","","1257.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","","Lynch, Daniel E.; McClenaghan, Ian","1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone","Acta Crystallographica, Section C","2002","58","","o642","o644","10.1107/S0108270102017109","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2013031","5.6862","0.0004","13.0264","0.0008","15.563","0.002","90","","90","","90","","1152.76","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,6-Bis(thiophen-2-yl)pyridazine","3,6-Bis(thiophen-2-yl)pyridazine","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C48 H32 N8 S8 -","4","1","GG1137","Ackers, Brian; Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter","3,6-Di(thiophen-2-yl)pyridazine","Acta Crystallographica Section C","2002","58","11","o640","o641","10.1107/S0108270102016037","","","0.71073","MoKα","","0.036","0.032","","","0.071","0.074","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013032","16.199","0.005","12.661","0.004","14.785","0.004","90","","115.23","0.03","90","","2743.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-methylacridinium methyl sulfate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C120 H120 N8 O32 S8 -","8","1","GG1138","Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy","10-Methyl- and 9,10-dimethylacridinium methyl sulfate","Acta Crystallographica Section C","2002","58","11","o669","o671","10.1107/S0108270102017171","","","1.54178","CuKα","","0.059","0.046","","","0.147","0.168","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013033","9.271","0.002","6.822","0.001","11.591","0.002","90","","96.24","0.03","90","","728.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","9,10-dimethylacridinium methyl sulfate","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C32 H34 N2 O8 S2 -","2","0.5","GG1138","Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy","10-Methyl- and 9,10-dimethylacridinium methyl sulfate","Acta Crystallographica Section C","2002","58","11","o669","o671","10.1107/S0108270102017171","","","1.54178","CuKα","","0.048","0.046","","","0.135","0.137","","","","","","1.128","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013034","8.179","0.0016","22.747","0.005","31.752","0.006","90","","90","","90","","5907","2","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Acetonitrile[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒ tetrafluoroborate‒acetonitrile (1/2/2)","","- C23 H24 B2 Cu F8 N10 O -","- C23 H24 B2 Cu F8 N10 O -","- C184 H192 B16 Cu8 F64 N80 O8 -","8","1","GG1141","Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Hubberstey, Peter; Julio, Carine; Withersby, Matthew A.","(Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒tetrafluoroborate‒acetonitrile (1/2/2)","Acta Crystallographica Section C","2002","58","11","m542","m544","10.1107/S0108270102018097","","","0.71073","MoKα","","0.089","0.059","","","0.157","0.175","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013035","5.124","0.001","12.213","0.005","15.072","0.009","90","","90","","90","","943.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Sodium zinc diiron(III) triphosphate","","- Fe2 Na O12 P3 Zn -","- Fe2 Na O12 P3 Zn -","- Fe8 Na4 O48 P12 Zn4 -","4","1","IZ1022","Hidouri, Mourad; Lajmi, Besma; Ben Amara, Mongi","The iron phosphate NaZnFe~2~(PO~4~)~3~","Acta Crystallographica Section C","2002","58","11","i147","i148","10.1107/S010827010201541X","","","0.71073","MoKα","","0.035","0.029","","","0.076","0.078","","","","","","1.241","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013036","25.7758","0.0013","25.7758","0.0013","8.7624","0.0006","90","","90","","120","","5041.7","0.5","293","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","henicosamagnesium pentacosazinc","","- Mg21 Zn25 -","- Mg21 Zn25 -","- Mg126 Zn150 -","6","0.166667","IZ1025","Černý, Radovan; Renaudin, Guillaume","The intermetallic compound Mg~21~Zn~25~","Acta Crystallographica Section C","2002","58","11","i154","i155","10.1107/S0108270102018103","","","0.71073","MoKα","","","0.032","","","","0.076","","","","","","0.958","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013037","5.2863","0.0004","5.3603","0.0004","7.5025","0.0006","90","","90.005","0.002","90","","212.59","0.03","293","","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lithium sodium aluminium fluoride","lithium disodium aluminium hexafluoride","","- Al F6 Li Na2 -","- Al F6 Li Na2 -","- Al2 F12 Li2 Na4 -","2","0.5","IZ1026","Kirik, Sergei D.; Zaitseva, Julia N.; Yakimov, Igor S.; Golovnev, Nikolay N.","LiNa~2~AlF~6~: a powder structure solution","Acta Crystallographica Section C","2002","58","11","i159","i160","10.1107/S0108270102018462","","","1.5418","CuKα","","","","","","","","","","1.85","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013038","7.22","0.002","12.728","0.002","32.21","0.006","90","","90","","90","","2960","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2'3'-dehydrosalannol","methyl (2aS,3R,5R,5aS,6S,6aS,8R,9aS,10aR,10bR,10cS)]- 8-(3-furyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy- 2a,5a,6a,7-tetramethyl-5-(3-methylbut-2-enoyloxy)-2H,3H- cyclopenta[4',5']furo[2',3':6,5]benzo[cd]isobenzofuran-6-acetate","","- C32 H42 O8 -","- C32 H42 O8 -","- C128 H168 O32 -","4","1","LN1144","Malathi, R; Rajan, S. S.; Gopalakrishnan, Geetha; Suresh, G.","2',3'-Dehydrosalannol","Acta Crystallographica Section C","2002","58","11","o681","o682","10.1107/S010827010201747X","","","1.54178","CuKα","","0.091","0.045","","","0.116","0.151","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013039","25.6945","0.0015","16.0188","0.0011","7.975","0.0004","90","","90","","90","","3282.5","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(±)-6-tert-butyl-8-hydroxymethyl-2-phenyl-4H-benzo-1,3-dioxin","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","2","LN1148","Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre","(±)-6-<i>tert</i>-Butyl-8-hydroxymethyl-2-phenyl-4<i>H</i>-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4<i>H</i>-1,3-benzodioxin)","Acta Crystallographica Section C","2002","58","11","o649","o651","10.1107/S0108270102017481","","","0.71073","MoKα","","0.08","0.051","","","0.095","0.107","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013040","20.5349","0.001","20.5349","0.001","9.3356","0.0005","90","","90","","90","","3936.7","0.3","100","2","100","2","","","","","","","","3","I -4","I -4","82","","2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-benzo-1,3-dioxin)","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","1","LN1148","Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre","(±)-6-<i>tert</i>-Butyl-8-hydroxymethyl-2-phenyl-4<i>H</i>-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4<i>H</i>-1,3-benzodioxin)","Acta Crystallographica Section C","2002","58","11","o649","o651","10.1107/S0108270102017481","","","0.71073","MoKα","","0.063","0.044","","","0.089","0.097","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013041","9.352","0.0005","9.7671","0.0005","11.8264","0.0006","99.489","0.001","107.504","0.001","91.441","0.001","1012.92","0.09","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","Hexamethylenetetraamine‒4-nitrocatechol‒water (1/2/1)","","- C18 H24 N6 O9 -","- C18 H24 N6 O9 -","- C36 H48 N12 O18 -","2","1","LN1149","Chantrapromma, Suchada; Usman, Anwar; Fun, Hoong-Kun; Bo-Long Poh; Chatchanok Karalai","Hexamethylenetetramine‒4-nitrocatechol‒water (1/2/1)","Acta Crystallographica Section C","2002","58","11","o675","o677","10.1107/S0108270102017559","","","0.71073","MoKα","","0.0459","0.0398","","","0.1033","0.1085","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013042","8.9102","0.0004","17.1911","0.001","10.4861","0.001","90","","105.859","0.008","90","","1545.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate monohydrate","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","LN1152","Ramos Silva, Manuela; Matos Beja, Ana; Paixão, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.","Hydrogen-bonding and C—H···π interactions in ethyl 4-acetyl-5-methyl-3-phenyl-1<i>H</i>-pyrrole-2-carboxylate monohydrate","Acta Crystallographica Section C","2002","58","11","o685","o687","10.1107/S0108270102018255","","","1.5418","CuKα","","0.045","0.04","","","0.105","0.11","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013043","12.955","0.002","13.293","0.003","16.202","0.003","65.03","0.02","81.91","0.02","83.73","0.02","2500.3","0.9","200","2","298","2","","","","","","","","5","P -1","-P 1","2","aquamagnesium phthalocyanine","Aqua(phthalocyaninato)magnesium","","- C32 H18 Mg N8 O -","- C32 H18 Mg N8 O -","- C128 H72 Mg4 N32 O4 -","4","2","NA1580","Janczak, Jan; Idemori, Ynara Marina","Aqua(phthalocyaninato)magnesium","Acta Crystallographica Section C","2002","58","11","m549","m550","10.1107/S0108270102018474","","","0.71073","MoKα","","0.0755","0.049","","","0.0903","0.0985","","","","","","1.043","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013044","22.3862","0.0008","24.7393","0.0008","8.323","0.0003","90","","91.624","0.001","90","","4607.6","0.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","trans-{CrBr~2~(Me~2~tn)~2~]Br.0.5HClO~4~.3H~2~O","trans-Dibromobis(2,2-dimethyl-1,3-diaminopropane)chromium(III) Bromide Hemi(hydrogen perchlorate) Trihydrate","","- C20 H69 Br6 Cl Cr2 N8 O10 -","- C10 H34.5 Br3 Cl0.5 Cr N4 O5 -","- C80 H276 Br24 Cl4 Cr8 N32 O40 -","8","1","OB1082","Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio","Bis[<i>trans</i>-dibromo(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III)] dibromide hydrogen perchlorate hexahydrate","Acta Crystallographica Section C","2002","58","11","m539","m541","10.1107/S0108270102018231","","","0.71069","MoKα","","0.0584","0.0417","","","0.1005","0.1076","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013045","9.0068","0.0007","11.2034","0.0008","15.875","0.0012","103.753","0.002","90.361","0.002","90.392","0.001","1555.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazone","","- C16 H17 N5 S -","- C16 H17 N5 S -","- C64 H68 N20 S4 -","4","2","OB1085","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Philip, Varughese; Sreekanth, A.; Prathapachandra Kurup, M. R.","Di-2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-(butane-1,4-diyl)thiosemicarbazone","Acta Crystallographica Section C","2002","58","11","o652","o654","10.1107/S0108270102017699","","","0.71073","MoKα","","0.142","0.076","","","0.143","0.17","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013046","7.33","0.003","10.819","0.004","22.453","0.008","90","","90","","90","","1780.6","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}","","- C16 H20 Cl2 N2 Pd2 -","- C16 H20 Cl2 N2 Pd2 -","- C64 H80 Cl8 N8 Pd8 -","4","1","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.06","0.049","","","0.105","0.109","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013047","18.511","0.005","18.511","0.005","15.698","0.006","90","","90","","90","","5379","3","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","[SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine- κN)palladium(II)","","- C13 H15 Cl N2 Pd -","- C13 H15 Cl N2 Pd -","- C208 H240 Cl16 N32 Pd16 -","16","2","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.071","0.046","","","0.1","0.11","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013048","10.423","0.004","13.398","0.005","15.861","0.005","90","","93.429","0.009","90","","2211","1.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl- κ^2^C^1^,N]palladium(II)}","","- C20 H26 N2 O4 Pd2 -","- C20 H26 N2 O4 Pd2 -","- C80 H104 N8 O16 Pd8 -","4","2","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.105","0.065","","","0.155","0.177","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013049","6.7676","0.0006","4.1477","0.0003","5.0206","0.0005","90","","108.205","0.007","90","","133.87","0.02","30","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","HCFC 31","Chlorofluoromethane","","- C H2 Cl F -","- C H2 Cl F -","- C2 H4 Cl2 F2 -","2","1","SK1582","Binbrek, Omar S.; Torrie, Bruce H.; Swainson, Ian P.","Neutron powder-profile study of chlorofluoromethane","Acta Crystallographica Section C","2002","58","11","o672","o674","10.1107/S0108270102017328","","neutron","1.3279","neutron","","","","","","","","","","1.71","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013050","5.902","0.001","5.902","0.001","32.78","0.01","90","","90","","120","","988.9","0.4","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","W hexaferrite","strontium zinc cobalt hexadecairon oxide","","- Co Fe16 O27 Sr Zn -","- Co0.99999 Fe16 O27 Sr Zn -","- Co1.99998 Fe32 O54 Sr2 Zn2 -","2","0.0833333","SK1585","Graetsch, Heribert A.","Zn location in the <i>W</i>-type hexagonal ferrite SrZnCoFe~16~O~27~","Acta Crystallographica Section C","2002","58","11","i152","i153","10.1107/S0108270102017316","","","0.71073","MoKα","","0.026","0.023","","","0.055","0.056","","","","","","1.3","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013051","6.9588","0.0004","7.1984","0.0004","17.4239","0.0011","101.181","0.002","98.559","0.002","95.36","0.004","839.95","0.09","120","1","120","1","","","","","","","","4","P 1","P 1","1","","2-Amino-4,6-dimethoxy-5-nitrosopyrimidine‒water (4/3)","","- C24 H38 N16 O15 -","- C24 H38 N16 O15 -","- C24 H38 N16 O15 -","1","1","SK1591","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Melguizo, Manuel; Quesada, Antonio","2-Amino-4,6-dimethoxy-5-nitrosopyrimidine‒water (4/3): seven independent molecular components are linked into a three-dimensional framework by six three-centre and eight two-centre hydrogen bonds","Acta Crystallographica Section C","2002","58","11","o655","o657","10.1107/S0108270102017444","","","0.71073","MoKα","","0.0996","0.0533","","","0.1149","0.1395","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013052","4.9598","0.0006","12.239","0.002","12.015","0.008","90","","106.67","0.07","90","","698.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","glycine trifluoroacetate","Glycinium trifluoroacetate","","- C4 H6 F3 N O4 -","- C4 H6 F3 N O4 -","- C16 H24 F12 N4 O16 -","4","1","SK1592","Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.","Glycinium trifluoroacetate","Acta Crystallographica Section C","2002","58","11","o658","o660","10.1107/S010827010201778X","","","0.71073","MoKα","","0.044","0.03","","","0.083","0.092","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013053","9.0595","0.0005","9.8517","0.0005","20.8019","0.0012","86.528","0.003","82.042","0.003","74.826","0.003","1774.04","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dihydro[2.2.2]cryptand (2+) di-μ-hydroxo-bis[bis(nitrato-κ^2^O,O')dioxouranium(VI)] monohydrate","","- C18 H42 N6 O25 U2 -","- C18 H42 N6 O25 U2 -","- C36 H84 N12 O50 U4 -","2","1","SQ1000","Thuéry, Pierre; Masci, Bernardo","Dihydro[2.2.2]cryptand di-μ-hydroxo-bis[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI)] monohydrate","Acta Crystallographica Section C","2002","58","11","m556","m558","10.1107/S0108270102018759","","","0.71073","MoKα","","0.041","0.028","","","0.063","0.068","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013054","13.0914","0.0008","20.5067","0.0012","12.7721","0.0006","105.519","0.001","91.231","0.002","82.789","0.002","3277.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Decatungstodysprosate","Nonasodium decatungstodysprosate pentatriacontahydrate","","- Dy H70 Na9 O71 W10 -","- Dy Na9 O71 W10 -","- Dy2 Na18 O142 W20 -","2","1","TA1388","Sawada, Keiju; Yamase, Toshihiro","Nonasodium decatungstodysprosate pentatriacontahydrate","Acta Crystallographica Section C","2002","58","11","i149","i151","10.1107/S0108270102016773","","","0.71069","MoKα","","0.046","0.036","","","0.088","0.104","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013055","16.986","0.003","7.441","0.002","13.488","0.005","90","","104.009","0.006","90","","1654.1","0.8","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro-{N-[3-(η^5^-cyclopentadienyl)propyl]-4-toluenesulfonamido- κ^2^N,O}titanium(IV)","","- C15 H17 Cl2 N O2 S Ti -","- C15 H17 Cl2 N O2 S Ti -","- C60 H68 Cl8 N4 O8 S4 Ti4 -","4","1","TA1393","Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno J. R.","Dichloro{<i>N</i>-[3-(η^5^-cyclopentadienyl)propyl]-4-toluenesulfonamido-κ^2^<i>N</i>,<i>O</i>}titanium(IV)","Acta Crystallographica Section C","2002","58","11","m529","m530","10.1107/S0108270102016785","","","0.71073","MoKα","","0.028","0.024","","","0.065","0.067","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013056","7.99482","0.00003","8.84525","0.00004","8.35318","0.00004","90","","90","","90","","590.705","0.004","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lead tartrate","Lead tartrate","","- C4 H4 O6 Pb -","- C4 H4 O6 Pb -","- C16 H16 O24 Pb4 -","4","1","AV1119","De Ridder, Dirk J. A.; Goubitz, Kees; Sonneveld, Ed J.; Molleman, Wim; Schenk, Henk","Lead tartrate from X-ray powder diffraction data","Acta Crystallographica Section C","2002","58","12","m596","m598","10.1107/S0108270102019637","","","1.54056","CuKα","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013057","18.043","0.003","7.1948","0.0013","18.048","0.003","90","","118.205","0.013","90","","2064.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN^4^)methanamine- κN]copper(II)","","- C5 H11 Cl2 Cu N5 -","- C5 H11 Cl2 Cu N5 -","- C40 H88 Cl16 Cu8 N40 -","8","2","AV1123","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.","Dichloro[<i>N</i>,<i>N</i>-dimethyl-1-(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>^4^)methanamine-κ<i>N</i>]copper(II)","Acta Crystallographica Section C","2002","58","12","m563","m564","10.1107/S0108270102019431","","","0.71069","MoKα","","0.059","0.043","","","0.115","0.122","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013058","8.5542","0.001","32.027","0.003","12.391","0.0007","90","","104.493","0.003","90","","3286.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-cyano-2-ethoxy-4,6-diphenylpyridine","","- C20 H16 N2 O -","- C19.996 H16 N2 O -","- C159.968 H128 N16 O8 -","8","2","DE1195","Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.","C—H···N and C—H···π interactions in 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile","Acta Crystallographica Section C","2002","58","12","o697","o699","10.1107/S0108270102018383","","","1.5418","CuKα","","0.099","0.051","","","0.129","0.16","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013059","11.67","0.003","6.5073","0.0016","12.693","0.003","90","","107.975","0.018","90","","916.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium 4-nitrophenylarsonate","","- C6 H9 As N2 O5 -","- C6 H9 As N2 O5 -","- C24 H36 As4 N8 O20 -","4","1","DE1196","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Chun; Zheng, Guo-Li; Li, Li; Liu, Jing-Fu; Hu, Ning-Hai; Jia, Heng-Qing","Ammonium 4-nitrophenylarsonate","Acta Crystallographica Section C","2002","58","12","m613","m614","10.1107/S0108270102020462","","","0.71073","MoKα","","0.039","0.03","","","0.075","0.077","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013060","10.2994","0.0014","11.1508","0.0016","13.8197","0.0019","68.023","0.016","68.73","0.015","80.092","0.017","1370.3","0.4","200","2","","","","","","","","","","6","P -1","-P 1","2","","Bis(tetraphenylphosphonium) bis(cis-1,2-dimethoxycarbonylethylenedithiolato-κ^2^S,S')nickelate(II)","","- C60 H52 Ni O8 P2 S4 -","- C60 H52 Ni O8 P2 S4 -","- C60 H52 Ni O8 P2 S4 -","1","0.5","DN1015","Baudron, Stephane A.; Batail, Patrick","Bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(II) and bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(III) iodide","Acta Crystallographica Section C","2002","58","12","m575","m577","10.1107/S0108270102019212","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013061","9.4071","0.0003","10.2501","0.0006","15.4642","0.0007","85.671","0.004","77.541","0.004","80.24","0.004","1433.75","0.12","293","2","","","","","","","","","","7","P -1","-P 1","2","","Bis(tetraphenylphosphonium) bis(cis-1,2-dimethoxycarbonylethylenedithiolato-κ^2^S,S')nickelate(III) iodide","","- C60 H52 I Ni O8 P2 S4 -","- C60 H52 I Ni O8 P2 S4 -","- C60 H52 I Ni O8 P2 S4 -","1","0.5","DN1015","Baudron, Stephane A.; Batail, Patrick","Bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(II) and bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(III) iodide","Acta Crystallographica Section C","2002","58","12","m575","m577","10.1107/S0108270102019212","","","0.71073","Mokα","","","0.032","","","","0.097","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013062","21.7323","0.0015","7.8564","0.0005","26.0263","0.0018","90","","90.605","0.001","90","","4443.4","0.5","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Copper(II) Lariat-PreH","","","- C34 H52 Cl2 Cu2 N10 O14 -","- C34 H52 Cl2 Cu2 N10 O14 -","- C136 H208 Cl8 Cu8 N40 O56 -","4","1","FG1662","Salma Kiani; Richard J. Staples; .; Alan B. Packard; .","A lariat-functionalized copper(II) diimine‒dioxime complex","Acta Crystallographica Section C","2002","58","12","m593","m595","10.1107/S0108270102019911","","","0.71073","MoKα","","0.0783","0.0452","","","0.1201","0.1374","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013063","11.588","0.001","11.588","0.001","17.177","0.002","90","","90","","120","","1997.5","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","catena-Poly[tris(ethylenediamine-κ^2^N)nickel(II) [[trithiocyanato-κ^3^N-sodium(I)]-μ-aqua-κ^2^O:O]]","","- C9 H26 N9 Na Ni O S3 -","- C9 H26 N9 Na Ni O S3 -","- C36 H104 N36 Na4 Ni4 O4 S12 -","4","0.333333","FG1666","Shen, Liang; Jing, Zhi Min","<i>catena</i>-Poly[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) [[trithiocyanato-κ^3^<i>N</i>-sodium(I)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>]]","Acta Crystallographica Section C","2002","58","12","m591","m592","10.1107/S0108270102019509","","","0.71073","MoKα","","0.055","0.038","","","0.123","0.13","","","","","","1.02","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2013064","7.118","0.001","9.328","0.001","9.483","0.001","111","0.01","106.8","0.01","103.85","0.01","519.65","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[2,2'-(1,3,5,8,10,12-hexaazacyclotetradecane-3,10-diyl)diethanol- κ^4^N^1^,N^5^,N^8^,N^12^]bis(thiocyanato-κS)copper(II)","","- C14 H30 Cu N8 O2 S2 -","- C14 H30 Cu N8 O2 S2 -","- C14 H30 Cu N8 O2 S2 -","1","0.5","FG1669","Shen, Liang","[2,2'-(1,3,5,8,10,12-Hexaazacyclotetradecane-3,10-diyl)diethanol-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^]bis(thiocyanato-κ<i>S</i>)copper(II)","Acta Crystallographica Section C","2002","58","12","m588","m590","10.1107/S0108270102019728","","","0.71073","MoKα","","0.036","0.034","","","0.087","0.089","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013065","9.845","0.005","6.77","0.005","13.994","0.008","90","","101.12","0.03","90","","915.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-4-acetylcyclohexanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","FR1396","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","<i>trans</i>-4-Acetylcyclohexanecarboxylic acid and (±)-<i>trans</i>-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids","Acta Crystallographica Section C","2002","58","12","o693","o696","10.1107/S0108270102018553","","","0.71073","MoKα","","0.1","0.059","","","0.139","0.166","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013066","6.943","0.002","10.489","0.003","12.778","0.004","90","","101.47","0.02","90","","912","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-2-acetylcyclohexanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","FR1396","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","<i>trans</i>-4-Acetylcyclohexanecarboxylic acid and (±)-<i>trans</i>-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids","Acta Crystallographica Section C","2002","58","12","o693","o696","10.1107/S0108270102018553","","","0.71073","MoKα","","0.107","0.052","","","0.088","0.104","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013067","10.473","0.002","14.961","0.003","8.569","0.002","90","","94.028","0.01","90","","1339.3","0.5","294","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N10 Ni O6 -","- C24 H24 N10 Ni O6 -","- C48 H48 N20 Ni2 O12 -","2","0.5","FR1398","Hörner, Manfredo; Oliveira, Julieta Saldanha de; Bordinhao, Jairo; Beck, Johannes","<i>trans</i>-Bis[1-methyl-3-(<i>p</i>-nitrophenyl)triazenido 1-oxide-κ^2^<i>N</i>^3^,<i>O</i>]dipyridinenickel(II)","Acta Crystallographica Section C","2002","58","12","m586","m587","10.1107/S0108270102019820","","","0.71073","MoKα","","0.0465","0.0311","","","0.0699","0.0763","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013068","7.4046","0.001","14.796","0.0013","7.7788","0.0011","90","","99.727","0.012","90","","839.98","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Fe O8 -","- C4 H12 Fe O8 -","- C16 H48 Fe4 O32 -","4","1","FR1400","Tu-Gen Xu; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang","<i>catena</i>-Poly[[tetraaquairon(II)]-μ-succinato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2002","58","12","m615","m616","10.1107/S0108270102020693","","","0.71069","MoKα","","0.03","0.027","","","0.074","0.076","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013069","11.127","0.0008","15.622","0.001","12.47","0.001","90","","106.28","0.01","90","","2080.7","0.3","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[5-Benzyl-3-phenyl-2-(2-pyridyl-κN)thiazolidin-4-one-κS]dichloropalladium(II)","","- C21 H18 Cl2 N2 O Pd S -","- C21 H18 Cl2 N2 O Pd S -","- C84 H72 Cl8 N8 O4 Pd4 S4 -","4","1","GA1000","Mills, Allison M.; Lutz, Martin; Strijdonck, Gino P. F. van; Kamer, Paul C. J.; Leeuwen, Piet W. N. M. van; Spek, Anthony L.","[5-Benzyl-3-phenyl-2-(2-pyridyl-κ<i>N</i>)thiazolidin-4-one-κ<i>S</i>]dichloropalladium(II)","Acta Crystallographica Section C","2002","58","12","m583","m585","10.1107/S0108270102019224","","","0.71073","MoKα","","0.069","0.039","","","0.067","0.075","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013070","10.2785","0.0002","12.6674","0.0003","16.2495","0.0005","71.693","0.002","89.362","0.002","76.317","0.002","1947.05","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","CUmof-2","catena-Poly[[[bis[diaqua(4,4'-bipyridine)cadmium(II)]-bis[μ-(N''- carboxymethyldiethylenetriamine-N,N,N',N''-tetraacetato)cadmium(II)]]- μ-4,4'-bipyridine] tetradecahydrate]","","- C58 H98 Cd4 N12 O38 -","- C58 H98 Cd4 N12 O38 -","- C58 H98 Cd4 N12 O38 -","1","0.5","GD1231","Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek","A novel one-dimensional coordination polymer with Cd^2+^ and diethylenetriaminepentaacetic acid","Acta Crystallographica Section C","2002","58","12","m608","m610","10.1107/S0108270102019960","","","0.7107","MoKα","","0.032","0.027","","","0.07","0.072","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013071","24.862","0.004","7.3778","0.0014","19.633","0.004","90","","101.823","0.006","90","","3524.8","1.1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2,4-diamino-5-naphthalen-1-yl-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene Cl","2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride","","- C18 H22 Cl N5 -","- C18 H22 Cl N5 -","- C144 H176 Cl8 N40 -","8","1","GG1139","Papandreou, Nikolaos C.; Makedonopoulou, Stella; Antoniadou-Vyza, Ekaterini A.; Mavridis, Irene M.; Hamodrakas, Stavros J.","2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride","Acta Crystallographica Section C","2002","58","12","o730","o732","10.1107/S0108270102019108","","","1.5418","CuKα","","0.063","0.052","","","0.143","0.155","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013072","12.271","0.002","5.324","0.002","15.15","0.001","90","","97.85","0.01","90","","980.5","0.4","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bisaquabis(isoquinoline-1-carboxylato-N,O)cobalt(II) dihydrate","","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","- C40 H40 Co2 N4 O16 -","2","0.5","GG1140","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate","Acta Crystallographica Section C","2002","58","12","m578","m580","10.1107/S0108270102018942","","","0.71073","MoKα","","","0.031","","","","0.116","","","","","","0.836","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013073","12.171","0.002","5.351","0.004","15.107","0.002","90","","97.91","0.01","90","","974.5","0.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bisaquabis(isoquinoline-1-carboxylato-N,O)nickel(II) dihydrate","","- C20 H20 N2 Ni O8 -","- C20 H20 N2 Ni O8 -","- C40 H40 N4 Ni2 O16 -","2","0.5","GG1140","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate","Acta Crystallographica Section C","2002","58","12","m578","m580","10.1107/S0108270102018942","","","0.71073","MoKα","","","0.04","","","","0.143","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013074","11.5759","0.0005","9.3063","0.0004","11.5275","0.0004","90","","118.896","0.002","90","","1087.23","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(pyrrolidin-1-yl)-1,4-naphthoquinone","","- C14 H12.95 Cl0.05 N O2 -","- C14 H12.95 Cl0.05 N O2 -","- C56 H51.8 Cl0.2 N4 O8 -","4","1","GG1143","Lynch, Daniel E.; Ian McClenaghan","2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","Acta Crystallographica Section C","2002","58","12","o704","o707","10.1107/S0108270102019194","","","0.71073","MoKα","","0.0814","0.0472","","","0.11","0.123","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013075","13.205","0.003","11.387","0.002","11.22","0.002","90","","93.12","0.03","90","","1684.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(phenylthio)-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C80 H68 N4 O8 S4 -","4","1","GG1143","Lynch, Daniel E.; Ian McClenaghan","2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","Acta Crystallographica Section C","2002","58","12","o704","o707","10.1107/S0108270102019194","","","0.71073","MoKα","","0.11","0.0482","","","0.1035","0.126","","","","","","0.951","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013076","6.6664","0.0019","6.6765","0.0019","15.5711","0.0018","84.075","0.004","82.803","0.005","85.776","0.005","682.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","Isozoledronate monosodium","Monosodium [1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate","","- C5 H17 N2 Na O11 P2 -","- C5 H17 N2 Na O11 P2 -","- C10 H34 N4 Na2 O22 P4 -","2","1","GG1144","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Monosodium [1-hydroxy-2-(1<i>H</i>-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate (monosodium isozoledronate)","Acta Crystallographica Section C","2002","58","12","m599","m600","10.1107/S0108270102019522","","","0.71073","MoKα","","0.038","0.029","","","0.074","0.077","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013077","9.0398","0.0002","16.6679","0.0004","9.0973","0.0002","90","","98.19","0.001","90","","1356.75","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","caesium silver zinc tetrathioyanate","caesium silver zinc tetrathioyanate","","- C4 Ag Cs N4 S4 Zn -","- C4 Ag Cs N4 S4 Zn -","- C16 Ag4 Cs4 N16 S16 Zn4 -","4","1","IZ1027","Güneş, Minna; Valkonen, Jussi","Polymorphism in Cs[AgZn(NCS)~4~]","Acta Crystallographica Section C","2002","58","12","i161","i163","10.1107/S0108270102017961","","","0.71073","MoKα","","","0.041","","","","0.101","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013078","13.964","0.002","14.851","0.002","13.389","0.002","90","","113.35","0.01","90","","2549.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","caesium silver zinc tetrathioyanate","caesium silver zinc tetrathioyanate","","- C4 Ag Cs N4 S4 Zn -","- C4 Ag Cs N4 S4 Zn -","- C32 Ag8 Cs8 N32 S32 Zn8 -","8","1","IZ1027","Güneş, Minna; Valkonen, Jussi","Polymorphism in Cs[AgZn(NCS)~4~]","Acta Crystallographica Section C","2002","58","12","i161","i163","10.1107/S0108270102017961","","","0.71073","MoKα","","","0.0599","","","","0.1191","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013079","14.462","0.002","14.462","0.002","13.902","0.003","90","","90","","120","","2518.1","0.7","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","trans-Carbonyliodotris(triphenylstibine-κSb)rhodium(I)","","- C55 H45 I O Rh Sb3 -","- C55 H45 I O Rh Sb3 -","- C110 H90 I2 O2 Rh2 Sb6 -","2","0.333333","JZ1526","Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Carbonyliodotris(triphenylstibine-κ<i>Sb</i>)rhodium(I)","Acta Crystallographica Section C","2002","58","12","m565","m566","10.1107/S0108270102018747","","","0.71073","MoKα","","0.112","0.031","","","0.047","0.056","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013080","14.142","0.006","17.287","0.003","21.505","0.004","90","","90","","90","","5257","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Azadirachtol","Dimethyl (-)-(2aR,3R,4R,4aS,5R,7aS,8R,10S,10aR)- 3,8,10-trihydroxy-4-[(2R,6R)-2-hydroxy-11-methyl- 5,7,10-trioxatetracyclo[6.3.1.0^2,6^0^9,11^]dodeca-3-en-9-yl]- 4-methylperhydroisobenzofurano[5,4,3a-cd]isobenzofuran-5,10a-diacetate","","- C28 H36 O13 -","- C28 H36 O13 -","- C224 H288 O104 -","8","2","LN1147","Malathi, R.; Rajan, S. S.; Geetha Gopalakrishnan; Suresh, G.","Azadirachtol, a tetranortriterpenoid from neem kernels","Acta Crystallographica Section C","2002","58","12","o708","o710","10.1107/S0108270102019091","","","1.54178","CuKα","","0.15","0.06","","","0.135","0.173","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013081","11.316","0.0013","6.744","0.002","18.4091","0.0015","90","","102.887","0.008","90","","1369.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,5-dimethyl-4-phenyl-1H-pyrrole-2-carboxylate","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","LN1155","Paixão, José António; Ramos Silva, Manuela; Matos Beja, Ana; Sobral, Abílio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.","Ethyl 3,5-dimethyl-4-phenyl-1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section C","2002","58","12","o721","o723","10.1107/S0108270102020656","","","1.5418","CuKα","","0.062","0.054","","","0.158","0.169","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013082","12.9955","0.0009","7.7137","0.0005","13.4699","0.0011","90","","107.86","0.006","90","","1285.2","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","imidazolidinedione","5-(1-Acetamidobenzyl)-5-methylazolidin-2,4-dione","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","NA1581","SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Moon Jib-Kim","5-[Acetamido(phenyl)methyl]-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section C","2002","58","12","o715","o717","10.1107/S0108270102019339","","","0.71073","MoKα","","0.0716","0.0422","","","0.1231","0.1391","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013083","6.1726","0.0001","14.9068","0.0002","17.6465","0.0003","90","","97.724","0.001","90","","1608.99","0.04","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","synthetic steroid","16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate","","- C36 H51 N O6 -","- C36 H51 N O6 -","- C72 H102 N2 O12 -","2","1","NA1582","Thamotharan, S.; Parthasarathi, V.; Ranju Gupta; Sheetal Guleria; Jindal, D. P.; Linden, Anthony","16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate","Acta Crystallographica Section C","2002","58","12","o727","o729","10.1107/S010827010202005X","","","0.71073","MoKα","","0.0627","0.0419","","","0.0958","0.1047","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013084","14.256","0.0003","16.6074","0.0003","14.6189","0.0003","90","","92.789","0.001","90","","3457","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(acetonitrile-κN)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane- κ^3^N)rhodium(III) tetraphenylborate","","- C37 H50 B N4 Rh -","- C37 H50 B N4 Rh -","- C148 H200 B4 N16 Rh4 -","4","1","OB1087","Fooladi, Erik; Dalhus, Bjørn; Rømming, Christian; Tilset, Mats","An organometallic Rh^III^ complex with a distorted octahedral structure: (acetonitrile-κ<i>N</i>)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')rhodium(III) tetraphenylborate","Acta Crystallographica Section C","2002","58","12","m567","m569","10.1107/S0108270102019182","","","0.71073","MoKα","","0.044","0.032","","","0.069","0.077","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013085","8.029","0.002","13.4196","0.0016","15.3094","0.0016","90","","90","","90","","1649.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-Sparteinium monoperchlorate","(6R,7S,9S,11S)-Sparteinium monoperchlorate","","- C15 H27 Cl N2 O4 -","- C15 H27 Cl N2 O4 -","- C60 H108 Cl4 N8 O16 -","4","1","OB1088","Lee, Yong-Min; Shim, Yoon-Bo; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak","Redetermination of (6<i>R</i>,7<i>S</i>,9<i>S</i>,11<i>S</i>)-(‒)-sparteinium monoperchlorate","Acta Crystallographica Section C","2002","58","12","o733","o734","10.1107/S0108270102020425","","","0.71073","MoKα","","0.097","0.0515","","","0.1088","0.1283","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013086","12.4975","0.0013","7.7837","0.0008","13.132","0.0014","90","","100.402","0.002","90","","1256.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-4-yl)benzoate monohydrate","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","OB1090","Anwar Usman; Chandini R. Nayar; P. A. Unnikrishnan; P. B. Sreeja; M. R. Prathapachandra Kurup; Hoong-Kun Fun","2-Hydroxy-3-(4,5,6,7-tetrahydro-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-5-ium-4-yl)benzoate monohydrate","Acta Crystallographica Section C","2002","58","12","o724","o726","10.1107/S0108270102020371","","","0.71073","MoKα","","0.0984","0.0614","","","0.1388","0.1568","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013087","7.0259","0.0001","12.2874","0.0002","13.0484","0.0003","80.316","0.001","79.508","0.001","74.462","0.001","1058.64","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","indole","Trimethyl[3-methyl-1-(o-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide","","- C20 H25 I N2 O2 S -","- C20 H25 I N2 O2 S -","- C40 H50 I2 N4 O4 S2 -","2","1","SK1573","Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J.","Trimethyl[3-methyl-1-(<i>o</i>-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine","Acta Crystallographica Section C","2002","58","12","o700","o703","10.1107/S0108270102018760","","","0.71073","MoKα","","0.036","0.032","","","0.084","0.087","","","","","","0.988","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013088","9.742","0.005","12.211","0.005","12.446","0.005","61.362","0.005","99.119","0.005","108.61","0.005","1231.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","indole","Benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine","","- C29 H25 Br N2 O2 S -","- C29 H25 Br N2 O2 S -","- C58 H50 Br2 N4 O4 S2 -","2","1","SK1573","Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J.","Trimethyl[3-methyl-1-(<i>o</i>-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine","Acta Crystallographica Section C","2002","58","12","o700","o703","10.1107/S0108270102018760","","","0.71069","MoKα","","0.117","0.045","","","0.116","0.146","","","","","","0.891","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013089","11.722","0.002","18.391","0.014","25.528","0.006","90","","90","","90","","5503","4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-(2-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)","","- C33 H30 N4 Ni O3 -","- C33 H30 N4 Ni O3 -","- C264 H240 N32 Ni8 O24 -","8","2","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.077","0.054","","","0.098","0.115","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013090","11.522","0.004","18.623","0.006","25.828","0.007","90","","90","","90","","5542","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-(3-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II) hemihydrate","","- C33 H31 N4 Ni O3.5 -","- C33 H30 N4 Ni O3.5 -","- C264 H240 N32 Ni8 O28 -","8","2","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.1","0.066","","","0.106","0.126","","","","","","1.29","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013091","9.692","0.003","10.047","0.002","26.06","0.006","90","","90","","90","","2537.6","1.1","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-ethylprolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)","","- C29 H29 N3 Ni O3 -","- C29 H29 N3 Ni O3 -","- C116 H116 N12 Ni4 O12 -","4","1","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.055","0.05","","","0.128","0.135","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013092","25.166","0.003","5.029","0.0005","15.159","0.0016","90","","97.648","0.009","90","","1901.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(2-pyridyl)benzene-1,4-diamine 2,5-dihydroxy-1,4-benzoquinone (1/1)","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C88 H72 N16 O16 -","4","0.5","SK1587","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Hydrogen-bonded one-dimensional networks in 1:1 complexes of <i>N</i>,<i>N</i>'-bis(2-pyridyl)aryldiamines with anilic acid","Acta Crystallographica Section C","2002","58","12","o735","o738","10.1107/S0108270102020644","","","0.71073","MoKα","","0.115","0.045","","","0.075","0.088","","","","","","0.939","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013093","14.8368","0.0018","5.0801","0.0006","16.0207","0.0016","90","","114.106","0.011","90","","1102.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-pyridyl)biphenyl-4,4'-diamine 2,5-dihydroxy-1,4-benzoquinone (1/1)","","- C28 H22 N4 O4 -","- C28 H22 N4 O4 -","- C56 H44 N8 O8 -","2","0.5","SK1587","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Hydrogen-bonded one-dimensional networks in 1:1 complexes of <i>N</i>,<i>N</i>'-bis(2-pyridyl)aryldiamines with anilic acid","Acta Crystallographica Section C","2002","58","12","o735","o738","10.1107/S0108270102020644","","","0.71073","MoKα","","0.073","0.037","","","0.089","0.1","","","","","","0.934","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013094","15.3965","0.0006","15.3965","0.0006","10.0549","0.0005","90","","90","","120","","2064.2","0.15","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","Dimercury(II) selenite(IV) oxide hydrate","","- H0.3333 Hg2 O4.1667 Se -","- Hg2 O4.16667 Se -","- Hg36 O75 Se18 -","18","1","SK1593","Weil, Matthias","The channel structure of the mercury(II) selenite(IV) oxide hydrate HgSeO~3~·HgO·{1 øver 6}H~2~O","Acta Crystallographica Section C","2002","58","12","i164","i166","10.1107/S0108270102018152","","","0.71073","MoKα","","0.028","0.022","","","0.053","0.054","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013095","7.5571","0.0001","9.4931","0.0001","23.4455","0.0002","90","","90","","90","","1681.99","0.03","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,1',6'-trichloro-4,1',6'-trideoxysucrose monohydrate","1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-glucopyranoside monohydrate","","- C12 H21 Cl3 O9 -","- C12 H21 Cl3 O9 -","- C48 H84 Cl12 O36 -","4","1","SK1596","Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan","4,1',6'-Trichloro-4,1',6'-trideoxysucrose monohydrate","Acta Crystallographica Section C","2002","58","12","o711","o714","10.1107/S0108270102020048","","","0.71073","MoKα","","0.034","0.028","","","0.065","0.068","","","","","","1.047","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013096","8.2962","0.0001","9.4622","0.0001","9.9471","0.0003","61.6508","0.0006","69.969","0.0006","71.4651","0.0011","634.15","0.02","160","1","160","1","","","","","","","","4","P 1","P 1","1","2,3,3',6-tetra-O-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose","3-O-acetyl-1,6-dichloro-1,4,6-trideoxy-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-galactopyranoside","","- C20 H27 Cl3 O11 -","- C20 H27 Cl3 O11 -","- C20 H27 Cl3 O11 -","1","1","SK1597","Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan","2,3,3',6-Tetra-<i>O</i>-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose","Acta Crystallographica Section C","2002","58","12","o718","o720","10.1107/S0108270102020000","","","0.71073","MoKα","","0.044","0.035","","","0.085","0.089","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013097","11.76","0.002","20.625","0.004","14.109","0.003","90","","113.55","0.03","90","","3137.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaamminecobalt(III) aquabis(nitrilotriacetato-κ^4^N,O,O',O'')gadolinate(III) octahydrate","","- C12 H48 Co Gd N8 O21 -","- C12 H48 Co Gd N8 O21 -","- C48 H192 Co4 Gd4 N32 O84 -","4","1","TA1390","Baldwin, Steven M.; Kastner, M. E.","Hexaamminecobalt(III) aquabis(nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')gadolinate(III) octahydrate","Acta Crystallographica Section C","2002","58","12","m611","m612","10.1107/S0108270102019601","","","0.71073","MoKα","","0.073","0.058","","","0.161","0.172","","","","","","1.116","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2013098","11.373","0.002","7.8632","0.0016","13.162","0.003","90","","100.92","0.03","90","","1155.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly-[[diaquacobalt(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato- κ^4^N,N':O,O')]","","- C12 H10 Co N2 O6 -","- C12 H10 Co N2 O6 -","- C48 H40 Co4 N8 O24 -","4","0.5","TA1395","Zhang, Guohong; Wei, Yongge; Wang, Ping; Guo, Hongyou","A novel one-dimensional coordination polymer, <i>catena</i>-poly[[diaquacobalt(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^<i>N</i>,<i>N</i>':<i>O</i>,<i>O</i>')]","Acta Crystallographica Section C","2002","58","12","m605","m607","10.1107/S010827010202019X","","","0.71073","MoKα","","0.08","0.054","","","0.121","0.132","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013099","12.4608","0.0012","17.744","0.002","23.7491","0.0013","90","","102.428","0.006","90","","5128","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(diphenylcarbenyl-κC)(methanol-κO)(5,10,15,20-tetra-p-tolylporphyrinato- κ^4^N)ruthenium(II) methanol solvate","","- C63 H54 N4 O2 Ru -","- C63 H54 N4 O2 Ru -","- C252 H216 N16 O8 Ru4 -","4","1","TR1039","Kawai, Masashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken","A ruthenium(II)‒porphyrin‒carbene complex with a weakly bonded methanol ligand","Acta Crystallographica Section C","2002","58","12","m581","m582","10.1107/S0108270102019492","","","0.71069","MoKα","","0.12","0.044","","","0.106","0.128","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013100","12.4673","0.0018","13.5634","0.0018","13.591","0.0018","105.642","0.004","101.243","0.004","90.381","0.005","2166.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[1,2-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate","","- C5 H24 B20 Cl2 Hg -","- C5 H24 B20 Cl2 Hg -","- C20 H96 B80 Cl8 Hg4 -","4","2","TR1042","Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F.","Solvent‒metal interactions in bis[1,2-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate","Acta Crystallographica Section C","2002","58","12","m601","m604","10.1107/S0108270102020036","","","0.71073","MoKα","","0.033","0.026","","","0.059","0.062","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013101","12.186","0.007","19.548","0.012","19.7","0.012","90","","90.055","0.01","90","","4693","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[1,12-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate","","- C8 H30 B20 Hg O -","- C8 H30 B20 Hg O -","- C64 H240 B160 Hg8 O8 -","8","2","TR1042","Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F.","Solvent‒metal interactions in bis[1,2-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate","Acta Crystallographica Section C","2002","58","12","m601","m604","10.1107/S0108270102020036","","","0.71073","MoKα","","0.066","0.044","","","0.092","0.107","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"9011388","5.2465","","5.2465","","23.702","","90","","90","","120","","565.008","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Hydrocerussite","- C H O4 Pb1.5 -","- C O3.99999 Pb1.50001 -","- C6 O23.9999 Pb9.00006 -","6","0.166667","","Martinetto, P.; Anne, M.; Dooryhee, E.; Walter, P.; Tsoucaris, G.","Synthetic hydrocerussite, 2PbCO3*Pb(OH)2 by X-ray powder diffraction","Acta Crystallographica, Section C","2002","58","","i82","i84","10.1107/S0108270102006844","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""