# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:38:29+02:00
# 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 = 59 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
"2013102","6.1664","0.001","8.3913","0.0018","8.6842","0.0017","90.062","0.017","110.351","0.015","93.176","0.016","420.56","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(1-piperidiniomethyl)-1H-tetrazolide","","- C7 H13 N5 -","- C7 H13 N5 -","- C14 H26 N10 -","2","1","AV1125","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","Zwitterionic 5-(1-piperidiniomethyl)-1<i>H</i>-tetrazolide","Acta Crystallographica Section C","2003","59","1","o22","o23","10.1107/S0108270102020905","","","0.71069","MoKα","","0.045","0.04","","","0.112","0.118","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013103","6.004","0.0012","8.358","0.0017","12.27","0.003","90","","92.72","0.03","90","","615","0.2","293","2","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Di-2-thienylthiazolo[4,5-d]thiazole","","- C12 H6 N2 S4 -","- C12 H6 N2 S4 -","- C24 H12 N4 S8 -","2","0.5","AV1128","Wagner, Paweł; Kubicki, Maciej","2,5-Di-2-thienylthiazolo[4,5-<i>d</i>]thiazole","Acta Crystallographica Section C","2003","59","2","o91","o92","10.1107/S0108270103001069","","","0.71073","MoKα","","0.0314","0.0283","","","0.0663","0.0681","","","","","","1.095","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013104","9.7204","0.0014","23.495","0.002","14.541","0.003","90","","107.578","0.014","90","","3165.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl6 Cu3 N16 -","- C16 H24 Cl6 Cu3 N16 -","- C64 H96 Cl24 Cu12 N64 -","4","1","AV1129","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Matulis, Vadim E.; Matulis, Vitaly E.; Ivashkevich, Ludmila S.","<i>catena</i>-Poly[[tetrakis(2-allyltetrazole-κ<i>N</i>^4^)-tetra-μ-chloro-tricopper(II)]-di-μ-chloro]","Acta Crystallographica Section C","2003","59","3","m90","m92","10.1107/S0108270103002968","","","0.71073","MoKα","","0.0492","0.0358","","","0.0859","0.0928","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013105","3.3477","0.0008","3.3477","0.0008","12.875","0.004","90","","90","","120","","124.96","0.06","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","lithium niobium disulfide","","- Li0.63 Nb S2 -","- Li0.63 Nb S2 -","- Li1.26 Nb2 S4 -","2","0.0833333","BC1001","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Wilson, Claire","Lithium niobium disulfide, Li~0.63~NbS~2~","Acta Crystallographica Section C","2003","59","1","i4","i6","10.1107/S0108270102021844","","","0.71073","MoKα","","0.019","0.018","","","0.043","0.044","","","","","","1.421","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013106","7.858","0.0011","5.5281","0.0009","31.449","0.005","90","","97.166","0.016","90","","1355.5","0.4","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Lanthanum titanate","pentalanthanum pentatitanium heptadecaoxide","","- La5 O17 Ti5 -","- La5 O17 Ti5 -","- La20 O68 Ti20 -","4","1","BC1002","Daniels, Peter; Lichtenberg, Frank; Smaalen, Sander van","Perovskite-related LaTiO~3.41~","Acta Crystallographica Section C","2003","59","2","i15","i17","10.1107/S0108270102023612","","","0.71069","MoKα","","0.06","0.039","","","0.074","0.082","","","","","","1.127","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013107","6.9219","0.001","6.9219","0.001","8.1465","0.0016","90","","90","","120","","338.03","0.1","293","2","293","2","","","","","","","","5","P 3 1 2","P 3 2","149","Potassium manganese(II) dicyanoargentate(I)","Potassium manganese(II) dicyanoargentate(I)","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","BC1004","Geiser, Urs; Schlueter, John A.","KMnAg~3~(CN)~6~, a new triply interpenetrating network solid","Acta Crystallographica Section C","2003","59","3","i21","i23","10.1107/S0108270103001264","","","0.71073","MoKα","","0.012","0.012","","","0.032","0.032","","","","","","1.112","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013108","10.1195","0.0008","11.865","0.001","12.271","0.001","70.563","0.007","70.092","0.008","73.452","0.007","1281.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyrazolo[3,4-d]pyrimidine","1-{5-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}- 6-methylsulfanyl-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine","","- C22 H29 N9 S3 -","- C22 H29 N9 S3 -","- C44 H58 N18 S6 -","2","1","BM1510","Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R.","Intermolecular stacking in pyrazolo[3,4-<i>d</i>]pyrimidine-based pentamethylene-linked flexible molecules","Acta Crystallographica Section C","2003","59","1","o42","o45","10.1107/S0108270102020681","","","0.71073","MoKα","","0.057","0.042","","","0.108","0.119","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013109","10.006","0.001","15.283","0.001","18.411","0.002","74.164","0.007","89.97","0.009","86.359","0.009","2702.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyrazolo[3,4-d]pyrimidine","6-methylsulfanyl-1-{5-[6-methylsulfanyl-4-(pyrrolidin-1-yl)-2H- pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}-4-(pyrrolidin-1-yl)-1H- pyrazolo[3,4-d]pyrimidine","","- C25 H34 N10 S2 -","- C25 H34 N10 S2 -","- C100 H136 N40 S8 -","4","2","BM1510","Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R.","Intermolecular stacking in pyrazolo[3,4-<i>d</i>]pyrimidine-based pentamethylene-linked flexible molecules","Acta Crystallographica Section C","2003","59","1","o42","o45","10.1107/S0108270102020681","","","0.71073","MoKα","","0.109","0.057","","","0.127","0.15","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013110","7.0855","0.001","7.0855","0.001","26.99","0.005","90","","90","","90","","1355","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2-amino-6-chloropurine","","- C5 H4 Cl N5 -","- C5 H4 Cl N5 -","- C40 H32 Cl8 N40 -","8","1","BM1512","Daniel E. Lynch; Ian McClenaghan","Three 2-aminopurine derivatives","Acta Crystallographica Section C","2003","59","1","o53","o56","10.1107/S0108270102021960","","","0.71073","MoKα","","0.067","0.0384","","","0.0762","0.0833","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013111","13.353","0.003","7.743","0.002","47.6","0.01","90","","95.85","0.03","90","","4896","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-6-(4-chlorophenylthio)purine hemihydrate","","- C11 H9 Cl N5 O0.5 S -","- C11 H9 Cl N5 O0.5 S -","- C176 H144 Cl16 N80 O8 S16 -","16","2","BM1512","Daniel E. Lynch; Ian McClenaghan","Three 2-aminopurine derivatives","Acta Crystallographica Section C","2003","59","1","o53","o56","10.1107/S0108270102021960","","","0.71073","MoKα","","0.0568","0.0396","","","0.0976","0.1048","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013112","10.8074","0.0002","11.6355","0.0003","15.3922","0.0003","85.468","0.002","83.265","0.001","79.7992","0.0009","1888.46","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-amino-6-(4-methylphenylthio)purine 1/3hydrate","","- C12 H11.667 N5 O0.333 S -","- C12 H11.6667 N5 O0.333333 S -","- C72 H70 N30 O2 S6 -","6","3","BM1512","Daniel E. Lynch; Ian McClenaghan","Three 2-aminopurine derivatives","Acta Crystallographica Section C","2003","59","1","o53","o56","10.1107/S0108270102021960","","","0.71073","MoKα","","0.15","0.0548","","","0.102","0.128","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013113","7.126","0.003","12.32","0.004","13.905","0.005","90","","90","","90","","1220.8","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9,12-diiodo-ortho-carborane","9,12-diiodo-1,2-dicarba-closo-dodecaborane(12)","","- C2 H10 B10 I2 -","- C2 H10 B10 I2 -","- C8 H40 B40 I8 -","4","1","BM1513","Batsanov, Andrei S.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martindale, Steven J.","9,12-Diiodo-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2003","59","2","o74","o76","10.1107/S0108270102023582","","","0.71073","MoKα","","0.0204","0.019","","","0.046","0.0465","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013114","22.335","0.0001","10.9094","0.0002","22.1061","0.0002","90","","90","","90","","5386.4","0.11","290","2","290","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate","","- C58 H58 Co N12 O6 -","- C58 H58 Co N12 O6 -","- C232 H232 Co4 N48 O24 -","4","1","BM1518","Halcrow, Malcolm A.; Kilner, Colin A.","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K","Acta Crystallographica Section C","2003","59","2","m61","m63","10.1107/S0108270102023296","","","0.71073","MoKα","","0.044","0.037","","","0.097","0.104","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013115","22.1974","0.0002","10.7761","0.0001","22.0365","0.0001","90","","90","","90","","5271.16","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate","","- C58 H58 Co N12 O6 -","- C58 H58 Co N12 O6 -","- C232 H232 Co4 N48 O24 -","4","1","BM1518","Halcrow, Malcolm A.; Kilner, Colin A.","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K","Acta Crystallographica Section C","2003","59","2","m61","m63","10.1107/S0108270102023296","","","0.71073","MoKα","","0.04","0.037","","","0.095","0.099","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013116","12.9265","0.0013","13.6798","0.0014","18.531","0.0019","84.258","0.009","76.394","0.008","65.092","0.008","2888.7","0.6","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H69 Cl8 N11 O37 -","- C33 H69 Cl8 N11 O37 -","- C66 H138 Cl16 N22 O74 -","2","1","BM1519","McKee, Vickie; Morgan, Grace G.","A perchlorate salt of an octaprotonated cryptand","Acta Crystallographica Section C","2003","59","3","o150","o152","10.1107/S0108270103002580","","","0.71073","MoKα","","0.0595","0.0435","","","0.104","0.113","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013117","5.0242","0.0003","14.6263","0.001","12.9024","0.0009","90","","93.835","0.002","90","","946.02","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hemimellitic acid methyl ester","Methyl 2,6-dicarboxybenzoate","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","1","BM1520","Dale, Sophie H.; Elsegood, Mark R. J.","Methyl 2,6-dicarboxybenzoate","Acta Crystallographica Section C","2003","59","3","o165","o166","10.1107/S0108270103002610","","","0.71073","MoKα","","0.044","0.033","","","0.085","0.094","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013118","21.6279","0.0002","11.8266","0.0001","20.8023","0.0003","90","","96.4448","0.0005","90","","5287.28","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole- κN^2^]copper(II)}","","- C48 H56 Cl6 Cu4 N8 O -","- C48 H56 Cl6 Cu4 N8 O -","- C192 H224 Cl24 Cu16 N32 O4 -","4","0.5","BM1524","Liu, Xiao-Ming; Kilner, Colin A.; Halcrow, Malcolm A.","Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole-κ<i>N</i>^2^]copper(II)}","Acta Crystallographica Section C","2003","59","3","m100","m102","10.1107/S0108270103002853","","","0.71073","MoKα","","0.046","0.036","","","0.094","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013119","9.2","0.003","22.465","0.005","9.708","0.003","90","","94.06","0.03","90","","2001.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-b]pyridine-2-carboxylate","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C92 H80 N8 O8 S4 -","4","1","DE1192","Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.","Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-<i>b</i>]pyridine-2-carboxylate","Acta Crystallographica Section C","2003","59","1","o30","o32","10.1107/S0108270102020437","","","0.7093","MoKα1","","0.126","0.058","","","0.138","0.156","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013120","9.9351","0.0016","11.149","0.0017","27.977","0.004","90","","90","","90","","3098.9","0.8","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(6,6'-dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide)","","- C37 H32 O5 P2 -","- C37 H32 O5 P2 -","- C148 H128 O20 P8 -","4","1","DE1193","Qiu, Li Qin; Qi, Jian Ying; Ji, Jian Xin; Zhou, Zhong Yuan; Yeug, Chi Hung; Choi, Michael C. K.; Chan, Albert S. C.","(<i>R</i>)-(6,6'-Dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide) methanol solvate","Acta Crystallographica Section C","2003","59","1","o33","o35","10.1107/S0108270102021042","","","0.71073","MoKα","","0.099","0.042","","","0.062","0.075","","","","","","0.833","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013121","4.561","0.0008","8.898","0.0017","13.562","0.003","90","","92.138","0.005","90","","550.01","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N^6^-furfuryladenine hydrochloride","N^6^-furfuryladenin-3-ium chloride","","- C10 H10 Cl N5 O -","- C10 H10 Cl N5 O -","- C20 H20 Cl2 N10 O2 -","2","1","DE1200","Stanley, Nithianantham; Muthiah, Packianathan Thomas; Geib, Steven J.","<i>N</i>^6^-Furfuryladenine (kinetin) hydrochloride","Acta Crystallographica Section C","2003","59","1","o27","o29","10.1107/S0108270102021030","","","0.71073","MoKα","","0.058","0.048","","","0.119","0.125","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013122","7.995","0.003","26.611","0.005","5.4348","0.0007","90","","90","","90","","1156.3","0.5","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Carboxy-L-aspartic anhydride benzyl ester","Benzyl (1,2,3,4-tetrahydro-2,5-dioxo-1,3-oxazol-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C48 H44 N4 O20 -","4","1","DE1204","Kanazawa, Hitoshi; Magoshi, Jun","<i>N</i>-Carboxy-<small>L</small>-aspartic anhydride benzyl ester","Acta Crystallographica Section C","2003","59","3","o159","o161","10.1107/S0108270103002567","","","0.71073","MoKα","","","0.054","","","","0.076","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013123","9.4157","0.0003","9.6893","0.0003","13.9473","0.0004","90","","92.91","0.01","90","","1270.79","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,1'S)-2',2'-dichloro-N-(1-phenylethyl)cyclopropane-1'-carboxamide","","- C12 H13 Cl2 N O -","- C12 H13 Cl2 N O -","- C48 H52 Cl8 N4 O4 -","4","2","DE1205","Yufit, Dmitrii S.; Howard, Judith A.K.","Two 2,2-dihalo-<i>N</i>-(1-phenylethyl)cyclopropane-1-carboxamides","Acta Crystallographica Section C","2003","59","3","o141","o143","10.1107/S0108270103002312","","","0.71073","MoKα","","0.0419","0.0313","","","0.0671","0.0708","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013124","9.2402","0.0004","14.2669","0.0005","9.3542","0.0004","90","","109.33","0.01","90","","1163.64","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,1'R)-2',2'-difluoro-N-(1-phenylethyl)cyclopropane-1'-carboxamide","","- C12 H13 F2 N O -","- C12 H13 F2 N O -","- C48 H52 F8 N4 O4 -","4","2","DE1205","Yufit, Dmitrii S.; Howard, Judith A.K.","Two 2,2-dihalo-<i>N</i>-(1-phenylethyl)cyclopropane-1-carboxamides","Acta Crystallographica Section C","2003","59","3","o141","o143","10.1107/S0108270103002312","","","0.71073","MoKα","","0.0918","0.0454","","","0.0729","0.0844","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013125","5.977","0.003","5.224","0.003","11.972","0.006","90","","104.383","0.01","90","","362.1","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-Iodonitrobenzene","3-iodo-1-nitrobenzene","","- C6 H4 I N O2 -","- C6 H4 I N O2 -","- C12 H8 I2 N2 O4 -","2","1","DN1017","Merz, Klaus","Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene","Acta Crystallographica Section C","2003","59","2","o65","o67","10.1107/S0108270102023041","","","0.71073","MoKα","","0.056","0.046","","","0.108","0.112","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013126","13.842","0.009","8.164","0.005","15.288","0.009","90","","101.766","0.012","90","","1691.3","1.8","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-Iodo-5-dinitro-benzene","3-iodo-1,5-dinitro-benzene","","- C6 H3 I N2 O4 -","- C6 H3 I N2 O4 -","- C48 H24 I8 N16 O32 -","8","1","DN1017","Merz, Klaus","Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene","Acta Crystallographica Section C","2003","59","2","o65","o67","10.1107/S0108270102023041","","","0.71073","MoKα","","0.052","0.037","","","0.08","0.084","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013127","10.4878","0.0002","12.2591","0.0002","11.975","0.0003","90","","95.029","0.001","90","","1533.71","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[7,13-bis(2-aminobenzyl)-1,4,10-trioxa- 7,13-diazacyclopentadecane]diisothiocyanatobarium(II)","","- C26 H36 Ba N6 O3 S2 -","- C26 H36 Ba N6 O3 S2 -","- C52 H72 Ba2 N12 O6 S4 -","2","1","FA1001","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; De Blas, Andres; Rodríguez-Blas, Teresa","[7,13-Bis(2-aminobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane]diisothiocyanatobarium(II)","Acta Crystallographica Section C","2003","59","1","m16","m17","10.1107/S0108270102021571","","","0.7107","MoKα","","0.111","0.054","","","0.08","0.099","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013128","7.71","0.002","32.35","0.005","5.4838","0.0006","90","","90","","96.82","0.013","1358.1","0.4","293","2","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","","- Ca4 Na Nb5 O17 -","- Ca4 Na Nb5 O17 -","- Ca16 Na4 Nb20 O68 -","4","1","FA1002","Zúñiga, F. J.; Darriet, J.","NaCa~4~Nb~5~O~17~: a layered perovskite <i>A</i>~<i>n~</i><i>B</i>~<i>n~</i>O~3<i>n~+2</i> compound","Acta Crystallographica Section C","2003","59","2","i18","i20","10.1107/S0108270102022746","","","0.71069","MoKα","","","0.028","","","","0.071","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013129","13.021","0.003","5.516","0.002","7.358","0.002","90","","106.5","0.03","90","","506.7","0.3","85","2","85","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","calcium bis(2-phosphonoacetate)","poly[calcium(II)-di-μ-carboxymethylphosphonato]","","- C4 H8 Ca O10 P2 -","- C4 H8 Ca O10 P2 -","- C8 H16 Ca2 O20 P4 -","2","0.5","FA1003","Ślepokura, Katarzyna; Lis, Tadeusz","Polymeric bis(phosphonomethylcarboxylato)calcium(II) at 85K","Acta Crystallographica Section C","2003","59","3","m76","m78","10.1107/S0108270102023302","","","0.71073","MoKα","","0.023","0.02","","","0.05","0.051","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013130","6.4672","0.0004","12.4977","0.001","16.1074","0.0008","90","","95.024","0.006","90","","1296.88","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(6-bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3-dioxaborolane","","- C11 H15 B Br N O2 -","- C11 H15 B Br N O2 -","- C44 H60 B4 Br4 N4 O8 -","4","1","FA1004","Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain","2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry","Acta Crystallographica Section C","2003","59","3","o111","o113","10.1107/S0108270103000908","","","0.71069","MoKα","","0.141","0.068","","","0.176","0.217","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013131","7.4991","0.0009","6.9178","0.0005","13.8251","0.0015","90","","96.574","0.012","90","","712.49","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(6-bromopyridin-3-yl)boronic acid","","- C5 H5 B Br N O2 -","- C5 H5 B Br N O2 -","- C20 H20 B4 Br4 N4 O8 -","4","1","FA1004","Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain","2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry","Acta Crystallographica Section C","2003","59","3","o111","o113","10.1107/S0108270103000908","","","0.71069","MoKα","","0.099","0.049","","","0.111","0.129","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013132","9.5691","0.0008","14.8261","0.0013","15.711","0.0013","101.726","0.002","101.994","0.002","91.566","0.002","2129.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44.5 Ba Cl2 N5.5 O12 -","- C36 H44.5 Ba Cl2 N5.5 O12 -","- C72 H89 Ba2 Cl4 N11 O24 -","2","1","FA1006","Avecilla, Fernando; Esteban, David; Platas‒Iglesias, Carlos; De Blas, Andres; Rodríguez‒Blas, Teresa","A barium perchlorate complex with a lateral macrobicycle derived from 1,10-diaza-15-crown-5 containing a phenol Schiff base spacer","Acta Crystallographica Section C","2003","59","3","m93","m94","10.1107/S0108270103002798","","","0.71073","MoKα","","0.0584","0.0447","","","0.1173","0.1258","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","189185","2020-10-21","18:00:00",""
"2013133","9.597","0.0019","10.073","0.002","12.755","0.003","95.04","0.03","111.77","0.03","113.46","0.03","1009.5","0.6","210","2","210","0.1","","","","","","","","5","P -1","-P 1","2","","Isopropylimidoisopropyamido-bis(isopropylamine)dichlorotantalum(V)","","- C12 H33 Cl2 N4 Ta -","- C12 H33 Cl2 N4 Ta -","- C24 H66 Cl4 N8 Ta2 -","2","1","FG1670","Matthew C. Burland; Tara Y. Meyer; Steven J. Geib","Dichloro(isopropylamido)bis(isopropylamine)(isopropylimido)tantalum(V), a monomeric Ta^V^ compound with imido, amido and amino moieties","Acta Crystallographica Section C","2003","59","2","m46","m48","10.1107/S0108270102022072","","","0.71073","MoKα","","0.05","0.0398","","","0.1048","0.1091","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013134","9.5234","0.0004","7.4343","0.0004","12.1939","0.0006","90","","108.777","0.002","90","","817.38","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(carbamoyldicyanomethanido-κN)manganese(II) dihydrate","","- C8 H16 Mn N6 O8 -","- C8 H16 Mn N6 O8 -","- C16 H32 Mn2 N12 O16 -","2","0.5","FG1671","Schlueter, John A.; Geiser, Urs; Manson, Jamie L.","Tetraaquabis(carbamoyldicyanomethanido-κ<i>N</i>)manganese(II) dihydrate","Acta Crystallographica Section C","2003","59","1","m1","m3","10.1107/S0108270102020334","","","0.71073","MoKα","","0.023","0.021","","","0.058","0.059","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013135","10.2172","0.0002","10.374","0.0003","10.8197","0.0003","84.2355","0.0012","68.9131","0.0012","76.9692","0.001","1042.23","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-P,P'-methylenebis(diisopropyl phosphonate)-κ^3^O,O':O]bis[chlorolithium(I)]","","- C26 H60 Cl2 Li2 O12 P4 -","- C26 H60 Cl2 Li2 O12 P4 -","- C26 H60 Cl2 Li2 O12 P4 -","1","0.5","FG1675","Henderson, Kenneth W.; Kennedy, Alan R.; MacDougall, Dugald J.; Strachan, Diane","Bis[μ-<i>P</i>,<i>P</i>'-methylenebis(diisopropyl phosphonate)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]bis[chlorolithium(I)]: a centrosymmetric dimer of lithium chloride with terminal chloride anions","Acta Crystallographica Section C","2003","59","2","m49","m51","10.1107/S0108270102022795","","","0.71073","MoKα","","0.053","0.042","","","0.107","0.116","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013136","8.287","0.0009","14.061","0.003","14.9685","0.0015","90","","90","","90","","1744.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-sparteine copper(II) diazide","(diazido-N)[(-)-sparteine-N,N']copper(II)","","- C15 H26 Cu N8 -","- C15 H26 Cu N8 -","- C60 H104 Cu4 N32 -","4","1","FG1677","Kim, Yong-Kyu; Kim, Bun-Joo; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Bis(azido-κ<i>N</i>)[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","2003","59","2","m64","m66","10.1107/S0108270103000684","","","0.71073","MoKα","","0.1211","0.0587","","","0.123","0.171","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013137","8.609","0.0008","13.0658","0.0012","7.2047","0.0007","90","","115.418","0.002","90","","731.96","0.12","292","2","292","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","celsian","Barium aluminium silicate","","- Al1.6 Ba0.8 O8 Si2.4 -","- Al1.5952 Ba0.7976 O8 Si2.4048 -","- Al6.3808 Ba3.1904 O32 Si9.6192 -","4","0.5","FG1678","Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S.","Barium-deficient celsian, Ba~1{-~<i>x</i>}Al~2{-~2<i>x</i>}Si~2+2<i>x~</i>O~8~ (<i>x</i> = 0.20 or 0.06)","Acta Crystallographica Section C","2003","59","2","i11","i14","10.1107/S0108270102023053","","","0.71073","MoKα","","0.026","0.022","","","0.055","0.056","","","","","","1.073","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013138","8.633","0.006","13.063","0.008","7.214","0.005","90","","115.17","0.05","90","","736.3","0.9","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","celsian","Barium aluminium silicate","","- Al1.88 Ba0.94 O8 Si2.12 -","- Al1.876 Ba0.938 O8 Si2.124 -","- Al7.504 Ba3.752 O32 Si8.496 -","4","0.5","FG1678","Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S.","Barium-deficient celsian, Ba~1{-~<i>x</i>}Al~2{-~2<i>x</i>}Si~2+2<i>x~</i>O~8~ (<i>x</i> = 0.20 or 0.06)","Acta Crystallographica Section C","2003","59","2","i11","i14","10.1107/S0108270102023053","","","0.71073","MoKα","","0.032","0.032","","","0.095","0.095","","","","","","1.364","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013139","16.9558","0.0003","18.1603","0.0002","22.2255","0.0001","90","","90","","90","","6843.73","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-o-Phenylenebis(diphenylphosphine)-κ^2^P:P']bis[chlorogold(I)]","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C240 H192 Au16 Cl16 P16 -","8","1","FG1679","Mohamed, Ahmed A.; Krause Bauer, Jeanette A.; Bruce, Alice E.; Bruce, Mitchell R. M.","[μ-<i>o</i>-Phenylenebis(diphenylphosphine)-κ^2^<i>P</i>:<i>P</i>']bis[chlorogold(I)], dppbz(AuCl)~2~","Acta Crystallographica Section C","2003","59","3","m84","m86","10.1107/S0108270103002154","","","0.71073","MoKα","","0.089","0.043","","","0.066","0.076","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013140","13.4882","0.0015","12.2569","0.0013","19.6281","0.0018","90","","94.113","0.012","90","","3236.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ~3~-oxo-oxopenta-μ-phosphato-diboron vanadium bis(1,4-diazonia[2.2.2]octane) monohydrate phosphoric acid solvate","","- C12 H38 B2 N4 O27 P6 V -","- C12 H38 B2 N4 O27 P6 V -","- C48 H152 B8 N16 O108 P24 V4 -","4","1","FG1684","Wikstad, Emma; Kritikos, Mikael","(C~6~H~14~N~2~)~2~[VO(HPO~4~)~5~B~2~O]·H~2~O·H~3~PO~4~, a novel borophosphate cluster containing a single vanadium centre and linked by hydrogen bonds into a three-dimensional framework","Acta Crystallographica Section C","2003","59","3","m87","m89","10.1107/S0108270103002683","","","0.71073","MoKα","","0.051","0.037","","","0.098","0.113","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013141","6.323","0.003","14.575","0.004","19.776","0.004","69.53","0.03","81.2","0.04","79.14","0.04","1669.3","1","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H32 -","- C47 H32 -","- C94 H64 -","2","1","FR1389","Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz","Three bis-<i>ortho</i>-diynylarenes (BODA)","Acta Crystallographica Section C","2003","59","3","o107","o110","10.1107/S0108270102023594","","","0.71073","MoKα","","0.1326","0.0642","","","0.1231","0.1498","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013142","13.299","0.007","5.229","0.003","21.196","0.011","90","","92.54","0.015","90","","1472.5","1.4","300","2","300","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 -","- C44 H26 -","- C88 H52 -","2","0.5","FR1389","Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz","Three bis-<i>ortho</i>-diynylarenes (BODA)","Acta Crystallographica Section C","2003","59","3","o107","o110","10.1107/S0108270102023594","","","0.71069","MoKα","","0.178","0.0788","","","0.1353","0.1821","","","","","","1.149","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013143","35.483","0.01","5.8875","0.0015","15.919","0.005","90","","109.932","0.006","90","","3126.4","1.5","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 O -","- C44 H26 O -","- C176 H104 O4 -","4","0.5","FR1389","Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz","Three bis-<i>ortho</i>-diynylarenes (BODA)","Acta Crystallographica Section C","2003","59","3","o107","o110","10.1107/S0108270102023594","","","0.71069","MoKα","","0.1277","0.0648","","","0.145","0.184","","","","","","1.153","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013144","12.697","0.003","12.24","0.005","11.509","0.004","90","","106.79","0.02","90","","1712.4","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,8-Dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","2","FR1401","Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A.","Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer","Acta Crystallographica Section C","2003","59","2","o57","o59","10.1107/S0108270102022369","","","0.71073","MoKα","","0.091","0.055","","","0.137","0.158","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013145","11.571","0.005","27.069","0.01","10.754","0.005","90","","90","","90","","3368","2","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","7,7'-Oxybis(2,8-dioxatricyclo[3.3.3.0^1,5^]undecan-3-one)","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","0.5","FR1401","Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A.","Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer","Acta Crystallographica Section C","2003","59","2","o57","o59","10.1107/S0108270102022369","","","0.71073","MoKα","","0.105","0.05","","","0.07","0.082","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013146","12.334","0.002","12.765","0.002","12.832","0.002","84.32","0.02","66.41","0.02","71.1","0.02","1750.6","0.6","293","1","293","1","","","","","","","","7","P -1","-P 1","2","","Dichloro[2,2'-(5,9-dithia-2,12-diazoniatrideca-1,12-diene-1,13- diyl)dinaphthalenolato-κ^2^O,O']dimethyltin(IV) acetonitrile solvate","","- C33 H39 Cl2 N3 O2 S2 Sn -","- C33 H38.412 Cl2 N3 O2 S2 Sn -","- C66 H76.824 Cl4 N6 O4 S4 Sn2 -","2","1","FR1402","Bajue, Stanley A.; Gumbs, Shellie; Jones, Lauren; Bramwell, Fitzgerald B.; Patrick, Brian O.; Selegue, John P.; Brock, Carolyn Pratt","Dichloro[1,1'-(5,9-dithia-2,12-diazoniatrideca-1,12-diene-1,13-diyl)dinaphthalen-2-olato-κ^2^<i>O</i>,<i>O</i>']dimethyltin(IV) acetonitrile solvate","Acta Crystallographica Section C","2003","59","1","m10","m12","10.1107/S0108270102021091","","","0.7107","MoKα","","0.037","0.03","","","0.073","0.077","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013147","12.2129","0.0017","11.5137","0.0016","15.456","0.002","90","","90","","90","","2173.4","0.5","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-aminopyridinium benzoate","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","FR1405","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","2-Aminopyridinium benzoate","Acta Crystallographica Section C","2003","59","1","o51","o52","10.1107/S0108270102022333","","","0.71073","MoKα","","0.065","0.036","","","0.083","0.088","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013148","6.617","0.001","7.316","0.001","10.421","0.002","71.47","0.01","73.44","0.02","77.29","0.01","453.81","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","9-oxobicyclo[3.3.1]nonane-3α-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","FR1406","Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W.","The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the <i>endo</i> acid and the lactol of the <i>exo</i> acid","Acta Crystallographica Section C","2003","59","3","o167","o170","10.1107/S0108270103001495","","","0.71073","MoKα","","0.067","0.042","","","0.095","0.108","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013149","7.331","0.004","9.288","0.007","12.669","0.007","90","","92.64","0.02","90","","861.7","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-oxobicyclo[3.3.1]nonane-3β-carboxylic acid lactol","8-hydroxy-9-oxatricyclo[5.3.1.0^3,8^]undecan-10-one'","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","FR1406","Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W.","The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the <i>endo</i> acid and the lactol of the <i>exo</i> acid","Acta Crystallographica Section C","2003","59","3","o167","o170","10.1107/S0108270103001495","","","0.71073","MoKα","","0.043","0.033","","","0.079","0.084","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013150","13.29","0.003","6.825","0.003","14.3316","0.0018","90","","92.596","0.015","90","","1298.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","FR1407","Shang Shan; Duan-Jun Xu; Chen-Hsiung Hung; Jing-Yun Wu; Michael Y. Chiang","Benzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2003","59","3","o135","o136","10.1107/S0108270103002464","","","0.71069","MoKα","","0.112","0.04","","","0.111","0.141","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013151","21.756","0.005","23.531","0.005","5.628","0.0011","90","","90","","90","","2881.2","1.1","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Bis(2-aminopyridinium) maleate","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C112 H128 N32 O32 -","8","0.5","FR1408","Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa","Bis(2-aminopyridinium) maleate","Acta Crystallographica Section C","2003","59","3","o105","o106","10.1107/S0108270103001586","","","0.71073","MoKα","","0.029","0.026","","","0.069","0.072","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013152","8.928","0.002","18.596","0.004","10.015","0.002","90","","99.822","0.006","90","","1638.4","0.6","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrakis(2'-vinylpyridyl)benzene-dichloromethane (1:2)","1,2,4,5-tetrakis(2'-vinylpyridyl)benzene-dichloromethane (1:2)","","- C36 H30 Cl4 N4 -","- C36 H30 Cl4 N4 -","- C72 H60 Cl8 N8 -","2","0.5","GA1001","Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.","1,2,4,5-Tetrakis(2-vinylpyridyl)benzene‒dichloromethane (1/2)","Acta Crystallographica Section C","2003","59","3","o114","o116","10.1107/S0108270103001276","","","0.71073","MoKα","","0.1096","0.0653","","","0.1187","0.1369","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013153","7.132","0.001","10.375","0.001","11.1","0.001","90","","91.35","0.01","90","","821.11","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-poly[[[diaquazinc(II)]-μ-oxydiacetato]hydrate]","","- C4 H10 O8 Zn -","- C4 H10 O8 Zn -","- C16 H40 O32 Zn4 -","4","1","GA1002","Baggio, Ricardo; Garland, María Teresa; Perec, Mireille","A new polymeric phase of zinc(II) oxydiacetate","Acta Crystallographica Section C","2003","59","1","m30","m32","10.1107/S0108270102021959","","","0.71073","MoKα","","0.029","0.025","","","0.062","0.064","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013154","5.858","0.002","8.232","0.002","19.241","0.006","90","","91.315","0.01","90","","927.6","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","sarcophine 13","2(R)-[(1E,3E,7S,8S,11E,13R)-13-hydroxy-4,8,12-trimethyl- 7,8-epoxycyclotetradeca-1,3,11-trien-1-yl]propane-1,2-diol","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","GA1004","Fahmy, Hesham; Zjawiony, Jordan K.; Khalifa, Sherief; Fronczek, Frank R.","A semi-synthetic analog of the cembranoid sarcophine","Acta Crystallographica Section C","2003","59","2","o85","o87","10.1107/S0108270103001288","","","0.71073","MoKα","","0.042","0.036","","","0.085","0.089","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013155","5.0733","0.001","18.465","0.004","10.029","0.002","90","","115.12","0.03","90","","850.6","0.4","185","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Br N O4 S -","- C5 H6 Br N O4 S -","- C20 H24 Br4 N4 O16 S4 -","4","1","GA1005","Strauss, Laura H.; Abzianidze, Victoria V.; Berestovitskaya, Valentina M.; Efremova, Irina E.","5-Bromo-2,3-dihydro-4-methyl-3-nitrothiophene 1,1-dioxide","Acta Crystallographica Section C","2003","59","3","o177","o178","10.1107/S0108270103000842","","","0.71073","MoKα","","0.044","0.031","","","0.068","0.073","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013156","12.081","0.002","12.6","0.002","13.95","0.003","82.32","0.03","71.63","0.03","83.05","0.03","1990.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Arsenic phthalocyanine‒arsenic iodide'","Bis{[phthalocyaninato(2-)]arsenic(III)} tetradecaiodotetraarsenic(III)","","- C64 H32 As6 I14 N16 -","- C64 H32 As6 I14 N16 -","- C64 H32 As6 I14 N16 -","1","0.5","GD1232","Janczak, Jan; Kubiak, Ryszard","Bis{[phthalocyaninato(2‒)]arsenic(III)} tetradecaiodotetraarsenic(III)","Acta Crystallographica Section C","2003","59","2","m70","m72","10.1107/S0108270102020759","","","0.71073","MoKα","","0.04","0.027","","","0.053","0.057","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013157","9.3867","0.0003","16.5328","0.0005","11.3189","0.0003","90","","118.118","0.002","90","","1549.25","0.08","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","GD1236","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Cisneros, Carlos","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2003","59","1","o38","o39","10.1107/S0108270102021881","","","0.71073","MoKα","","0.091","0.047","","","0.103","0.13","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013158","15.6382","0.0012","8.8403","0.0007","29.595","0.002","90","","103.672","0.002","90","","3975.5","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl3 Li N10 O15 Zn2 -","- C24 H58 Cl3 Li N10 O15 Zn2 -","- C96 H232 Cl12 Li4 N40 O60 Zn8 -","4","1","GD1237","Blake, Alexander J.; Tei, Lorenzo; Schröder, Martin; Wilson, Claire","A zinc‒lithium complex of 4,7-bis(2-aminoethyl)-1,4,7-triazacyclononane-1-acetate","Acta Crystallographica Section C","2003","59","2","m43","m45","10.1107/S0108270102021947","","","0.71073","MoKα","","0.1215","0.0575","","","0.117","0.1389","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","194538","2020-10-21","18:00:00",""
"2013159","7.9563","0.0005","16.3464","0.0011","12.0088","0.001","90","","94.128","0.005","90","","1557.78","0.19","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-ferrocenylbenzoate","","- C19 H18 Fe O2 -","- C19 H18 Fe O2 -","- C76 H72 Fe4 O8 -","4","1","GD1238","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David","Ethyl and isopropyl 4-ferrocenylbenzoate","Acta Crystallographica Section C","2003","59","1","m13","m15","10.1107/S0108270102021819","","","0.71073","MoKα","","0.034","0.028","","","0.075","0.079","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013160","9.3406","0.0009","10.1663","0.0006","17.9072","0.001","90","","90.136","0.006","90","","1700.5","0.2","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Isopropyl 4-ferrocenylbenzoate","","- C20 H20 Fe O2 -","- C20 H20 Fe O2 -","- C80 H80 Fe4 O8 -","4","1","GD1238","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David","Ethyl and isopropyl 4-ferrocenylbenzoate","Acta Crystallographica Section C","2003","59","1","m13","m15","10.1107/S0108270102021819","","","0.71073","MoKα","","0.067","0.043","","","0.097","0.109","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013161","10.1876","0.0007","18.8055","0.0015","16.7034","0.0013","90","","94.59","0.007","90","","3189.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-Boc-1'-aminoferrocene-1-carboxylic acid","1'-(tert-butoxycarbonylamino)ferrocene-1-carboxylic acid","","- C16 H19 Fe N O4 -","- C16 H19 Fe N O4 -","- C128 H152 Fe8 N8 O32 -","8","2","GD1239","Pavlović, Gordana; Barišić, Lidija; Rapić, Vladimir; Kovač, Veronika","Ferrocene compounds. XXXIV. 1'-(<i>tert</i>-Butoxycarbonylamino)ferrocene-1-carboxylic acid","Acta Crystallographica Section C","2003","59","2","m55","m57","10.1107/S0108270102023156","","","0.71073","MoKα","","0.234","0.061","","","0.081","0.113","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013162","7.4715","0.0006","7.7082","0.0007","9.1435","0.0006","97.429","0.006","112.808","0.005","110.666","0.006","432.02","0.07","296","1","296","1","","","","","","","","5","P 1","P 1","1","dibromo[(-)-sparteine-κ^2^N,N']zinc(II)","dibromo[(6R,7S,8S,14S)-1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a;1',2'-e][1,5]diazocine-κ^2^N,N']zinc(II)","","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","1","1","GD1241","Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael","The triclinic polymorph of dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section C","2003","59","3","m79","m81","10.1107/S0108270103001483","","","0.71073","MoKα","","0.0504","0.0395","","","0.0908","0.0969","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013163","7.5503","0.0002","23.5347","0.0009","11.105","0.0004","90","","102.427","0.002","90","","1927.06","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 Ni O8 -","- C18 H20 N2 Ni O8 -","- C72 H80 N8 Ni4 O32 -","4","1","GD1242","Hong-Ping Xiao; Zhan Shi; Long-Guan Zhu; Ru-Ren Xu; Wen-Qin Pang","Tetraaqua(2,2'-bipyridine)nickel(II) terephthalate","Acta Crystallographica Section C","2003","59","3","m82","m83","10.1107/S0108270103002087","","","0.71073","MoKα","","0.0847","0.0478","","","0.1129","0.1258","","","","","","0.951","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013164","8.7825","0.0008","16.209","0.002","16.7077","0.0016","112.555","0.009","104.477","0.007","95.876","0.01","2073.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-ethylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)","","- C13 H10 N Ni S10 -","- C13 H10 N Ni S10 -","- C52 H40 N4 Ni4 S40 -","4","2","GG1142","Xue, Gang; Xu, Wen; Yu, Wentao; Fang, Qi","<i>N</i>-Ethylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate","Acta Crystallographica Section C","2003","59","1","m27","m29","10.1107/S0108270102020115","","","0.71073","MoKα","","0.076","0.043","","","0.099","0.118","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013165","7.1219","0.0015","10.694","0.002","14.71","0.003","90","","101.996","0.004","90","","1095.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Risedronate monohydrate","[1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl] phosphonate monohydrate","","- C7 H13 N O8 P2 -","- C7 H13 N O8 P2 -","- C28 H52 N4 O32 P8 -","4","1","GG1145","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures","Acta Crystallographica Section C","2003","59","2","m33","m36","10.1107/S0108270102021996","","","0.71073","MoKα","","0.081","0.043","","","0.094","0.108","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013166","7.663","0.004","8.039","0.004","10.77","0.005","93.655","0.008","95.277","0.009","96.017","0.008","655.2","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","Risedronate monosodium dihydrate","sodium [1-hydroxy-2-(pyridinium-3-yl)ethane-1,2-diyl]bis(phosphonate) dihydrate","","- C7 H14 N Na O9 P2 -","- C7 H14 N Na O9 P2 -","- C14 H28 N2 Na2 O18 P4 -","2","1","GG1145","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures","Acta Crystallographica Section C","2003","59","2","m33","m36","10.1107/S0108270102021996","","","0.71073","MoKα","","0.061","0.04","","","0.091","0.1","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013167","21.664","0.007","8.93","0.003","15.123","0.005","90","","114.692","0.005","90","","2658.2","1.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Risedronate monosodium hemi-pentahydrate","sodium [1-hydroxy-2-(pyridinium-3-yl)ethane-1,2-diyl]bis(phosphonate) 2.5-hydrate","","- C7 H15 N Na O9.5 P2 -","- C7 H15 N Na O9.5 P2 -","- C56 H120 N8 Na8 O76 P16 -","8","1","GG1145","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures","Acta Crystallographica Section C","2003","59","2","m33","m36","10.1107/S0108270102021996","","","0.71073","MoKα","","0.036","0.03","","","0.079","0.082","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013168","14.144","0.005","10.907","0.003","9.052","0.003","90","","104.196","0.005","90","","1353.8","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 N O7 P2 -","- C8 H21 N O7 P2 -","- C32 H84 N4 O28 P8 -","4","1","GG1146","Van Brussel, Erin M.; Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Hydronium (cycloheptylammonio)methylene-1,1-bisphosphonate (hydronium incadronate)","Acta Crystallographica Section C","2003","59","2","o93","o94","10.1107/S0108270102020450","","","0.71073","MoKα","","0.0935","0.0578","","","0.1463","0.1622","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013169","12.4954","0.0004","13.0617","0.0005","14.9097","0.0007","90","","103.484","0.0013","90","","2366.35","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7,12,17-tetraoxa-3,4;5,6;13,14;15,16-tetrabenzodispiro[8.1.8.0]nonadecane","","- C31 H26 O4 -","- C31 H26 O4 -","- C124 H104 O16 -","4","1","GG1148","Stadnicka, Katarzyna; Szlachcic, Paweł","2,7,12,17-Tetraoxa-3,4:5,6:13,14:15,16-tetrabenzodispiro[8.1.8.0]nonadecane","Acta Crystallographica Section C","2003","59","3","o129","o131","10.1107/S0108270103001963","","","0.71073","MoKα","","0.0527","0.0392","","","0.0985","0.1092","","","","","","0.924","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013170","12.319","0.002","10.976","0.002","22.826","0.004","90","","90","","90","","3086.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","7,16-diazonia-18-crown-6-bis(4-aminobenzenesulfonate) dihydrate","1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(4-aminobenzenesulfonate) dihydrate","","- C24 H44 N4 O12 S2 -","- C24 H44 N4 O12 S2 -","- C96 H176 N16 O48 S8 -","4","0.5","GG1151","Fonari, Marina S.; Simonov, Yurii A.; Botoshansky, Mark; Ganin, Eduard V.; Yavolovskii, Arkadii A.","The hydrogen-bonded adduct 7,16-diazonia-18-crown-6‒4-aminobenzenesulfonate‒water (1/2/2)","Acta Crystallographica Section C","2003","59","2","o88","o90","10.1107/S010827010300129X","","","0.71073","MoKα","","0.076","0.042","","","0.106","0.118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013171","8.23","0.0016","9.341","0.0018","12.594","0.003","73.91","0.03","88.14","0.03","70.8","0.03","876.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N-phenylcarbonylthiourea","1-benzoylthiourea","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C32 H32 N8 O4 S4 -","4","2","GG1152","Wagner, Paweł; Niemczyk-Baltro, Sabina; Kubicki, Maciej","<i>N</i>-Benzoylthiourea","Acta Crystallographica Section C","2003","59","2","o83","o84","10.1107/S0108270103001161","","","0.71073","MoKα","","0.089","0.034","","","0.066","0.071","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013172","29.158","0.002","13.9891","0.001","9.9578","0.0007","90","","91.597","0.005","90","","4060.2","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Pomiferin","3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H- pyrano[2,3-h]chromen-4-one","","- C25 H24 O6 -","- C25 H24 O6 -","- C200 H192 O48 -","8","1","GG1154","Marek, Jaromír; Veselá, Dagmar; Lišková, Margita; Žemlička, Milan","Pomiferin","Acta Crystallographica Section C","2003","59","3","o127","o128","10.1107/S0108270103002300","","","0.71073","MoKα","","0.052","0.042","","","0.089","0.095","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013173","10.562","0.0007","11.4321","0.0018","13.7109","0.0013","90","","91.587","0.009","90","","1654.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(7-aminobenzothiazole)zinc(II) chloride","Bis(7-amino-1,3-benzothiazole-κN^3^)dichlorozinc(II)","","- C14 H12 Cl2 N4 S2 Zn -","- C14 H12 Cl2 N4 S2 Zn -","- C56 H48 Cl8 N16 S8 Zn4 -","4","1","JZ1531","Popović, Zora; Pavlović, Gordana; Soldin, Željka; Tralić-Kulenović, Vesna; Racané, Livio","Bis(7-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichlorozinc(II)","Acta Crystallographica Section C","2003","59","1","m4","m6","10.1107/S0108270102020668","","","0.71073","MoKα","","0.069","0.032","","","0.066","0.075","","","","","","1.016","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013174","14.41","0.02","7.282","0.006","14.672","0.002","90","","99.96","0.06","90","","1516","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-chloroacetyl-β-alanine","","- C5 H8 Cl N O3 -","- C5 H8 Cl N O3 -","- C40 H64 Cl8 N8 O24 -","8","1","JZ1532","Urpí, Lourdes; Jiménez, Katia; Solans, Xavier; Rodríguez-Galán, Alfonso; Puiggalí, Jordi","<i>N</i>-Chloroacetyl-β-alanine","Acta Crystallographica Section C","2003","59","1","o24","o26","10.1107/S0108270102020814","","","0.71073","MoKα","","0.1075","0.0522","","","0.1234","0.1448","","","","","","1.027","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013175","7.1816","0.0004","9.6857","0.0005","10.1259","0.0005","67.825","0.001","72.047","0.001","83.078","0.001","620.48","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[silver(I)-μ-ethylenediamine-κ^2^N:N'] 3-nitrobenzoate monohydrate]","","- C9 H14 Ag N3 O5 -","- C9 H14 Ag N3 O5 -","- C18 H28 Ag2 N6 O10 -","2","1","JZ1543","Anwar Usman; Hoong-Kun Fun; Suchada Chantrapromma; Hai-Liang Zhu; Xian-Jiang Wang","Polymeric structure of (ethylenediamine)silver(I) 3-nitrobenzoate monohydrate","Acta Crystallographica Section C","2003","59","3","m97","m99","10.1107/S0108270103003433","","","0.71073","MoKα","","0.0249","0.0231","","","0.0546","0.0554","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013176","10.3302","0.0006","12.8582","0.0007","13.827","0.0008","87.432","0.001","74.956","0.001","76.067","0.001","1721.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(O-ethyldithiocarbonato-κ^2^S,S')bis(triphenylphosphine-κP)silver(I)","","- C39 H35 Ag O P2 S2 -","- C39 H35 Ag O P2 S2 -","- C78 H70 Ag2 O2 P4 S4 -","2","1","JZ1546","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib","A new polymorph of (<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphine-κ<i>P</i>)silver(I)","Acta Crystallographica Section C","2003","59","3","m107","m108","10.1107/S0108270103003445","","","0.71073","MoKα","","0.0392","0.0316","","","0.0654","0.0671","","","","","","0.935","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013177","10.1931","0.0007","10.5503","0.0005","11.956","0.0007","90.932","0.004","103.252","0.005","101.923","0.005","1221.78","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","diphenyl [3-methyl-1-(3-phenylthioureido)butyl]phosphonate","","- C24 H27 N2 O3 P S -","- C24 H27 N2 O3 P S -","- C48 H54 N4 O6 P2 S2 -","2","1","LN1150","Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László","Two derivatives of (<i>N</i>-phenylthioureidoalkyl)phosphonates","Acta Crystallographica Section C","2003","59","1","o46","o50","10.1107/S0108270102021820","","","0.71073","MoKα","","0.079","0.049","","","0.134","0.153","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013178","9.9402","0.0004","16.7505","0.0006","14.1979","0.0005","90","","91.973","0.003","90","","2362.6","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diphenyl [2-methyl-1-(3-phenylthioureido)butyl]phosphonate","","- C24 H27 N2 O3 P S -","- C24 H27 N2 O3 P S -","- C96 H108 N8 O12 P4 S4 -","4","1","LN1150","Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László","Two derivatives of (<i>N</i>-phenylthioureidoalkyl)phosphonates","Acta Crystallographica Section C","2003","59","1","o46","o50","10.1107/S0108270102021820","","","0.71073","MoKα","","0.066","0.045","","","0.118","0.132","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013179","16.055","0.004","6.2858","0.0017","16.895","0.005","90","","109.299","0.005","90","","1609.2","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","dhurrin","(2R)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile dihydrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","LN1156","Calderón, Angela I.; Terreaux, Christian; Gupta, Mahabir P.; Hostettmann, Kurt; Schenk, Kurt J.","Taxiphyllin from <i>Henriettella fascicularis</i>","Acta Crystallographica Section C","2003","59","3","o174","o176","10.1107/S0108270103001355","","","0.71073","MoKα","","0.061","0.033","","","0.043","0.047","","","","","","0.842","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013180","18.6705","0.0008","5.9427","0.0002","13.3961","0.0004","90","","104.637","0.004","90","","1438.1","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis(DL-proline-κO)zinc(II)","","- C10 H18 Cl2 N2 O4 Zn -","- C10 H18 Cl2 N2 O4 Zn -","- C40 H72 Cl8 N8 O16 Zn4 -","4","0.5","LN1157","Lutz, Martin; Bakker, Ruud","Dichlorobis(<small>DL</small>-proline-κ<i>O</i>)zinc(II)","Acta Crystallographica Section C","2003","59","1","m18","m20","10.1107/S0108270102021832","","","0.71073","MoKα","","0.023","0.018","","","0.045","0.048","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013181","10.28","0.002","10.497","0.004","16.175","0.004","75.91","0.02","80.81","0.02","68","0.03","1565.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bromo methoxy osthol","8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C64 H76 Br4 O16 -","4","2","NA1573","Solomon, K. Anand; Rajan, S. S.; Geetha Gopalakrishnan; Kashinath, V.; Santhana Krishnan, V. P.","8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin","Acta Crystallographica Section C","2003","59","1","o40","o41","10.1107/S0108270102020838","","","1.5418","CuKα","","0.073","0.06","","","0.164","0.173","","","","","","1.311","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013182","8.1442","0.0017","6.5456","0.0011","12.285","0.002","90","","90","","90","","654.9","0.2","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Amino-4-methoxy-6-methylpyrimidine","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C24 H36 N12 O4 -","4","0.5","NA1584","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused <i>R</i>~2~^2^(8) rings, and centrosymmetric <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2003","59","1","o9","o13","10.1107/S0108270102020206","","","0.71073","MoKα","","0.0931","0.0497","","","0.1149","0.1357","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013183","5.8932","0.0002","18.2849","0.0007","15.1175","0.0007","90","","98.704","0.002","90","","1610.25","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylamino-4-benzyloxy-6-methylpyrimidine","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","NA1584","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused <i>R</i>~2~^2^(8) rings, and centrosymmetric <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2003","59","1","o9","o13","10.1107/S0108270102020206","","","0.71073","MoKα","","0.0929","0.0503","","","0.1084","0.125","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013184","5.6056","0.0002","18.2446","0.0005","20.648","0.0008","90","","100.965","0.001","90","","2073.16","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylamino-2,6-bis(benzyloxy)pyrimidine","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","NA1584","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused <i>R</i>~2~^2^(8) rings, and centrosymmetric <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2003","59","1","o9","o13","10.1107/S0108270102020206","","","0.71073","MoKα","","0.1109","0.0538","","","0.1113","0.1312","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013185","9.713","0.006","19.265","0.008","10.45","0.002","90","","105.74","0.03","90","","1882.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","NA1587","Sivakumar, B.; Sethu Sankar, K.; Senthil Kumar, U. P.; Jeyaraman, R.; Velmurugan, D.","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[<i>b</i>][1,6]naphthyridine","Acta Crystallographica Section C","2003","59","3","o153","o155","10.1107/S0108270102022758","","","1.5418","CuKα","","0.069","0.057","","","0.16","0.172","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013186","7.096","0.004","8.55","0.003","28.101","0.005","90","","90.87","0.03","90","","1704.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","stilbene","4'-methoxy-α,2,3'4-tetranitrostilbene","","- C15 H10 N4 O9 -","- C15 H10 N4 O9 -","- C60 H40 N16 O36 -","4","1","NA1588","SethuSankar, K.; Saravanan, S.; Velmurugan, D.; Parvez, Masood","A <i>cis</i>-stilbene derivative","Acta Crystallographica Section C","2003","59","3","o156","o158","10.1107/S0108270103000878","","","1.54178","CuKα","","0.0553","0.0509","","","0.1475","0.1531","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013187","11.878","0.005","13.329","0.005","16.677","0.005","90","","104.085","0.005","90","","2561","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gold sulfadiazine","[4-Amino-N-(pyrimidin-2-yl)benzenesulfonamido-κN](triphenylphosphine- κP)gold(I)","","- C28 H24 Au N4 O2 P S -","- C28 H24 Au N4 O2 P S -","- C112 H96 Au4 N16 O8 P4 S4 -","4","1","NA1589","Schulz Lang, Ernesto; Burrow, Robert Alan; Marques, Lenice de Lourenço","[4-Amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido-κ<i>N</i>](triphenylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section C","2003","59","3","m95","m96","10.1107/S0108270103001914","","","0.71069","MoKα","","0.027","0.019","","","0.043","0.045","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013188","10.638","0.002","17.857","0.004","6.958","0.001","90","","91.42","0.03","90","","1321.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-8(7H)-one","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","NA1590","Bruno, Giuseppe; Nicoló, Francesco; Gitto, Rosaria; Micale, Nicola; Rosace, Giuseppe","5-Phenyl-9<i>H</i>-1,3-dioxolo[4,5-<i>h</i>][2,3]benzodiazepin-8(7<i>H</i>)-one","Acta Crystallographica Section C","2003","59","3","o117","o119","10.1107/S010827010300088X","","","0.71073","MoKα","","0.071","0.056","","","0.142","0.151","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013189","7.5764","0.001","8.7614","0.0011","10.8154","0.0014","92.965","0.003","97.881","0.002","108.709","0.003","670.05","0.15","298","1","293","2","","","","","","","","6","P -1","-P 1","2","","Dibromo(pyridoxal semicarbazone-κ^3^N^1^,O^3^,O^3'^)copper(II)","","- C9 H12 Br2 Cu N4 O3 -","- C9 H12 Br2 Cu N4 O3 -","- C18 H24 Br4 Cu2 N8 O6 -","2","1","NA1591","Poleti, Dejan; Karanović, Ljiljana; Leovac, Vukadin M.; Jevtović, Violeta S.","Dibromo(pyridoxal semicarbazone-κ^3^<i>N</i>^1^,<i>O</i>^3^,<i>O</i>^3'^)copper(II)","Acta Crystallographica Section C","2003","59","3","m73","m75","10.1107/S0108270103001215","","","0.71073","MoKα","","0.061","0.033","","","0.058","0.063","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013190","10.2647","0.0011","24.976","0.003","9.7963","0.0011","90","","104.76","0.002","90","","2428.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1H-indol-2-yl)methyl]- 5-methoxyphenyl}acetamide","","- C24 H20 Br2 N2 O4 S -","- C24 H20 Br2 N2 O4 S -","- C96 H80 Br8 N8 O16 S4 -","4","1","NA1592","Ravishankar, T.; Chinnakali, K.; Arumugam, N.; Srinivasan, P. C.; Usman, Anwar; Fun, Hoong-Kun","<i>N</i>-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-5-methoxyphenyl}acetamide","Acta Crystallographica Section C","2003","59","3","o137","o140","10.1107/S0108270103001410","","","0.71073","MoKα","","0.088","0.041","","","0.081","0.097","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013191","14.801","0.003","8.306","0.002","14.441","0.002","90","","114.15","0.01","90","","1620","0.6","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5,9,10-Tetrahydro-4-methyl-2-phenyl-9,10-epoxy- 3H,10aH-cyclobuta[a]benzo[2,3,4-de]isoquinoline-3,5-dione","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","OB1086","Liu, Qingjian; Li, Yizhi; Shi, Daqing; Xu, Jianhua","4,5,9,10-Tetrahydro-4-methyl-2-phenyl-9,10-epoxy-3<i>H</i>,10a<i>H</i>-cyclobuta[<i>a</i>]benzo[2,3,4-<i>de</i>]isoquinoline-3,5-dione","Acta Crystallographica Section C","2003","59","1","o36","o37","10.1107/S0108270102021650","","","0.71073","MoKα","","0.068","0.041","","","0.1","0.11","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013192","16.663","0.002","10.6209","0.0005","17.652","0.002","90","","113.725","0.004","90","","2860","0.5","173.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cl2 N2 Pt -","- C28 H44 Cl2 N2 Pt -","- C112 H176 Cl8 N8 Pt4 -","4","1","OB1092","Kato, Masako; Ikemori, Mana","Dichloro(4,4'-dinonyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","2003","59","1","m25","m26","10.1107/S010827010202156X","","","0.7107","MoKα","","","0.04","","","","0.084","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013193","9.1026","0.0007","12.1235","0.0009","18.019","0.001","90","","101.219","0.003","90","","1950.5","0.2","153.2","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8a-Azoniahexahelicene hexafluorophosphate","","- C25 H16 F6 N P -","- C25 H16 F6 N P -","- C100 H64 F24 N4 P4 -","4","1","OB1095","Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki","An azonia derivative of hexahelicene","Acta Crystallographica Section C","2003","59","3","o162","o164","10.1107/S0108270102023739","","","0.7107","MoKα","","","0.0379","","","","0.1256","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013194","10.1453","0.0003","10.1467","0.0004","10.3571","0.0003","90","","92.632","0.003","90","","1065.05","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hexaaquanickel(II) bys(hypophosphite)","","","- H16 Ni O10 P2 -","- H16 Ni O10 P2 -","- H64 Ni4 O40 P8 -","4","0.5","SK1594","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.; Podberezskaya, Nina V.","Hexaaquanickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2003","59","1","i1","i3","10.1107/S0108270102018541","","","0.71073","MoKα","","0.0301","0.0283","","","0.0794","0.0809","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013195","9.4143","0.0004","13.0869","0.0004","7.5774","0.0002","90","","96.426","0.0013","90","","927.7","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 1 polymorph","","- C8 H11 Cl N4 O -","- C8 H11 Cl N4 O -","- C32 H44 Cl4 N16 O4 -","4","1","SK1595","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Two polymorphs, with <i>Z</i>' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in <i>P</i>2~1~/<i>c</i>, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the <i>Z</i>' = 2 polymorph","Acta Crystallographica Section C","2003","59","1","o4","o8","10.1107/S0108270102020012","","","0.71073","MoKα","","0.0497","0.0361","","","0.0853","0.0918","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013196","13.9215","0.0003","8.1803","0.0002","19.639","0.0004","90","","121.613","0.0012","90","","1904.65","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 2 polymorph","","- C8 H11 Cl N4 O -","- C8 H11 Cl N4 O -","- C64 H88 Cl8 N32 O8 -","8","2","SK1595","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Two polymorphs, with <i>Z</i>' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in <i>P</i>2~1~/<i>c</i>, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the <i>Z</i>' = 2 polymorph","Acta Crystallographica Section C","2003","59","1","o4","o8","10.1107/S0108270102020012","","","0.71073","MoKα","","0.0479","0.0369","","","0.0909","0.0967","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013197","13.8139","0.0002","8.4804","0.0001","19.8379","0.0003","90","","120.677","0.0009","90","","1998.74","0.05","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-piperidinopyrimidine","","- C9 H13 Cl N4 -","- C9 H13 Cl N4 -","- C72 H104 Cl8 N32 -","8","2","SK1595","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Two polymorphs, with <i>Z</i>' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in <i>P</i>2~1~/<i>c</i>, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the <i>Z</i>' = 2 polymorph","Acta Crystallographica Section C","2003","59","1","o4","o8","10.1107/S0108270102020012","","","0.71073","MoKα","","0.0449","0.0332","","","0.0814","0.0865","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013198","5.3406","0.0005","7.7727","0.0007","12.3901","0.0015","72.702","0.003","79.389","0.003","89.914","0.005","481.89","0.09","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","Benzanilide","N-phenylbenzamide (triclinic polymorph)","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","SK1598","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A triclinic polymorph of benzanilide: disordered molecules form hydrogen-bonded chains","Acta Crystallographica Section C","2003","59","1","o1","o3","10.1107/S0108270102019996","","","0.71073","MoKα","","0.149","0.061","","","0.13","0.16","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013199","7.3443","0.0002","7.8437","0.0002","14.9129","0.0004","90","","109.947","0.0013","90","","807.54","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-dimethoxy-5-nitropyrimidine","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","SK1599","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine","Acta Crystallographica Section C","2003","59","1","o14","o18","10.1107/S0108270102020322","","","0.71073","MoKα","","0.048","0.04","","","0.104","0.11","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013200","6.8427","0.0002","9.9742","0.0005","13.2752","0.0005","79.007","0.002","75.577","0.003","72.547","0.002","830.46","0.06","120","1","120","2","","","","","","","","4","P -1","-P 1","2","","4-amino-2,6-dimethoxy-5-nitropyrimidine","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","2","SK1599","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine","Acta Crystallographica Section C","2003","59","1","o14","o18","10.1107/S0108270102020322","","","0.71073","MoKα","","0.08","0.05","","","0.12","0.135","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013201","20.5825","0.0013","8.8102","0.0004","13.0289","0.0011","90","","109.81","0.003","90","","2222.8","0.3","120","1","120","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4-butylamino-6-methoxy-5-nitropyrimidine","","- C9 H15 N5 O3 -","- C9 H15 N5 O3 -","- C72 H120 N40 O24 -","8","1","SK1600","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in nitroaniline analogues: a hydrogen-bonded chain of rings in 2-amino-4-butylamino-6-methoxy-5-nitropyrimidine","Acta Crystallographica Section C","2003","59","1","o19","o21","10.1107/S0108270102020991","","","0.71073","MoKα","","0.17","0.063","","","0.127","0.163","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013202","6.9388","0.0002","9.8852","0.0002","14.1962","0.0004","69.965","0.002","77.518","0.002","72.361","0.002","864.91","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato- κ^3^O^4^,N^5^:O^5^]bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)- dionato-κ^2^N^1^,O^2^]strontium(II)}","","- C20 H32 N16 O18 Sr2 -","- C20 H32 N16 O18 Sr2 -","- C20 H32 N16 O18 Sr2 -","1","0.5","SK1602","Low, John N.; Arranz, Paloma; Cuesta, Rafael; Gutiérrez, M. Dolores; Glidewell, Christopher","Bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato-κ^3^<i>O</i>^4^,<i>N</i>^5^:<i>O</i>^5^]-di-μ-aqua-bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato-κ^2^<i>N</i>^1^,<i>O</i>^2^]strontium(II)}: centrosymmetric dimers containing nine-coordinate Sr, linked by multiple hydrogen bonds into a three-dimensional framework","Acta Crystallographica Section C","2003","59","1","m21","m24","10.1107/S0108270102021492","","","0.71073","MoKα","","0.033","0.028","","","0.066","0.068","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013203","25.247","0.002","4.0827","0.001","8.764","0.002","90","","90","","90","","903.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Strontium hexabromodicadmate(II) octahydrate","","- Br6 Cd2 H16 O8 Sr -","- Br6 Cd2 H16 O8 Sr -","- Br12 Cd4 H32 O16 Sr2 -","2","0.5","SK1605","Yahyaoui, Samia; Ben Hassen, Rached; Petříček, Vaclav; Dušek, Michal; Ben Salah, Abdelhamid","Strontium hexabromodicadmate(II) octahydrate","Acta Crystallographica Section C","2003","59","3","i24","i26","10.1107/S0108270103002221","","","0.71069","MoKα","","0.065","0.029","","","0.063","0.07","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013204","9.5997","0.0001","10.4336","0.0001","10.6348","0.0002","72.0422","0.0006","85.3458","0.0005","80.8752","0.0006","999.87","0.02","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","(E)-2-(2-adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride","","- C26 H26 Fe O3 -","- C26 H26 Fe O3 -","- C52 H52 Fe2 O6 -","2","1","SK1606","Al-Shihry, Shar S.; Linden, Anthony","(<i>E</i>)-2-(2-Adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride","Acta Crystallographica Section C","2003","59","2","m40","m42","10.1107/S0108270102022722","","","0.71073","MoKα","","0.039","0.031","","","0.078","0.081","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013205","9.1467","0.0018","16.102","0.003","24.318","0.005","90","","90","","90","","3581.6","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(1-Naphthylacetyl)glycine phenacyl ester","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","SK1607","Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr","<i>N</i>-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate","Acta Crystallographica Section C","2003","59","2","o77","o79","10.1107/S0108270103000155","","","0.71073","MoKα","","0.0425","0.04","","","0.0831","0.0845","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013206","8.927","0.002","11.413","0.002","17.875","0.004","90","","102.5","0.03","90","","1778","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Phenacyl (1-naphthylacetoxy)acetate","","","- C22 H18 O5 -","- C22 H18 O5 -","- C88 H72 O20 -","4","1","SK1607","Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr","<i>N</i>-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate","Acta Crystallographica Section C","2003","59","2","o77","o79","10.1107/S0108270103000155","","","0.71073","MoKα","","0.0375","0.0345","","","0.0821","0.0842","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013207","28.0787","0.0006","11.8671","0.0002","14.1533","0.0002","90","","100.739","0.001","90","","4633.46","0.14","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","","- C16 H43 N2 O8 P S -","- C16 H43 N2 O8 P S -","- C128 H344 N16 O64 P8 S8 -","8","1","SK1608","Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel","Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K","Acta Crystallographica Section C","2003","59","3","o120","o123","10.1107/S0108270103001471","","","0.71073","MoKα","","0.05","0.042","","","0.116","0.123","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013208","27.946","0.0004","11.748","0.0002","14.059","0.0002","90","","100.971","0.009","90","","4531.35","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","","- C16 H43 N2 O8 P S -","- C16 H43 N2 O8 P S -","- C128 H344 N16 O64 P8 S8 -","8","1","SK1608","Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel","Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K","Acta Crystallographica Section C","2003","59","3","o120","o123","10.1107/S0108270103001471","","","0.71073","MoKα","","0.048","0.041","","","0.109","0.113","","","","","","1.174","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013209","24.0858","0.0011","5.0699","0.0002","10.508","0.0004","90","","90","","90","","1283.16","0.09","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Iodobenzaldehyde-4-nitrophenylhydrazone","","- C13 H10 I N3 O2 -","- C13 H10 I N3 O2 -","- C52 H40 I4 N12 O8 -","4","1","SK1609","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone <i>versus</i> disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2003","59","3","o98","o101","10.1107/S0108270103001379","","","0.71073","MoKα","","0.0654","0.0356","","","0.0714","0.0804","","","","","","1.021","","","","has coordinates,has Fobs","291473","2024-05-03","10:34:51",""
"2013210","7.889","0.0005","8.1405","0.0006","12.176","0.001","83.876","0.004","83.679","0.004","63.151","0.003","691.98","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C26 H18 I2 N8 O8 -","2","1","SK1609","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo‒nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone <i>versus</i> disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2003","59","3","o98","o101","10.1107/S0108270103001379","","","0.71073","MoKα","","0.0747","0.047","","","0.1111","0.132","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013211","7.4171","0.0002","22.1145","0.0008","15.7093","0.0004","90","","90","","90","","2576.73","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 I N2 O2 S -","- C12 H9 I N2 O2 S -","- C96 H72 I8 N16 O16 S8 -","8","1","SK1610","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Iodo-<i>N</i>-(2-nitrophenylsulfanyl)aniline: π-stacked sheets generated by a combination of N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","3","o95","o97","10.1107/S0108270103000775","","","0.71073","MoKα","","0.0841","0.0403","","","0.0715","0.0818","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013212","14.0307","0.0003","6.1277","0.0001","21.5135","0.0005","90","","91.485","0.001","90","","1849.02","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate","","- C14 H26 N6 O7 S -","- C14 H26 N6 O7 S -","- C56 H104 N24 O28 S4 -","4","1","SK1612","Quesada, Antonio; Marchal, Antonio; Low, John N.; Glidewell, Christopher","2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate: hydrogen-bonded sheets containing highly distorted cations","Acta Crystallographica Section C","2003","59","3","o102","o104","10.1107/S0108270103001458","","","0.71073","MoKα","","0.0561","0.045","","","0.1158","0.1229","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013213","13.711","0.0007","7.3037","0.0003","9.3537","0.0004","90","","93.088","0.002","90","","935.33","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Nitrophenylsulfinyl)acetic acid","","- C8 H7 N O5 S -","- C8 H7 N O5 S -","- C32 H28 N4 O20 S4 -","4","1","SK1614","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(4-Nitrophenylsulfinyl)acetic acid, a three-dimensional hydrogen-bonded framework built from a combination of two-centre O—H···O and C—H···O hydrogen bonds and a three-centre C—H···(O)~2~ hydrogen bond","Acta Crystallographica Section C","2003","59","3","o124","o126","10.1107/S0108270103001860","","","0.71073","MoKα","","0.0702","0.0434","","","0.1008","0.1104","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013214","9.491","0.004","13.541","0.005","14.051","0.006","90","","90","","90","","1805.8","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl 4aβ-methyl-6-methoxy-9-oxo-1,2,3,4,4a,9,10,10aβ- octahydrophenanthrene-1,1-dicarboxylate","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","SK1615","Swastik Mondal; Monika Mukherjee; Arnab Roy; Debabrata Mukherjee","Dimethyl 6-methoxy-4aβ-methyl-9-oxo-1,2,3,4,4a,9,10,10aβ-octahydrophenanthrene-1,1-dicarboxylate","Acta Crystallographica Section C","2003","59","3","o132","o134","10.1107/S0108270103002452","","","0.71073","MoKα","","0.0369","0.0345","","","0.0932","0.0955","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013215","9.4972","0.0002","6.9014","0.0002","12.3077","0.0003","90","","92.0599","0.0011","90","","806.17","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Nitrophthalic acid","","- C8 H5 N O6 -","- C8 H5 N O6 -","- C32 H20 N4 O24 -","4","1","SK1616","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Nitrophthalic acid: <i>C</i>(4) and <i>R</i>~2~^2^(8) motifs of O—H···O hydrogen bonds generate sheets which are linked by C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","3","o144","o146","10.1107/S0108270103002555","","","0.71073","MoKα","","0.0381","0.0338","","","0.0837","0.0867","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013216","10.9563","0.0004","10.9584","0.0005","17.1665","0.0008","90","","101.446","0.002","90","","2020.08","0.15","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Meso-5,5,7,12,12,14-hexamethyl-1,4-diaza-8,11-diazoniumcyclotetradecane bis(2-naphthoate) ethanol disolvate","","- C42 H64 N4 O6 -","- C42 H64 N4 O6 -","- C84 H128 N8 O12 -","2","0.5","SK1618","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4-diaza-8,11-diazoniacyclotetradecane bis(2-naphthoate) ethanol disolvate: centrosymmetric five-component aggregates linked into sheets by C—H···π(arene) hydrogen bonding","Acta Crystallographica Section C","2003","59","3","o147","o149","10.1107/S0108270103002804","","","0.71073","MoKα","","0.082","0.048","","","0.112","0.13","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013217","9.2522","0.0006","6.4359","0.0003","14.008","0.0011","90","","105.175","0.009","90","","805.04","0.1","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-Dipropoxybenzidine","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","0.5","SQ1002","El-Shafei, Ahmed; Boyle, Paul D.; Hinks, David; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. I. 3,3'-Dipropoxybenzidine","Acta Crystallographica Section C","2003","59","2","o71","o73","10.1107/S0108270102021303","","","0.71073","MoKα","","0.04","0.039","","0.051","","0.051","","","","","","2.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013218","11.7152","0.0004","19.627","0.0006","12.131","0.0004","90","","117.978","0.001","90","","2463.34","0.14","298","1","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","estradiol","estra-1,3,5(10)-triene-3,17β-diol-methanol-water (3/2/1)","","- C18.67 H27.33 O3 -","- C18.6667 H27.3333 O3 -","- C112 H164 O18 -","6","3","SQ1003","Parrish, Damon A.; Pinkerton, A. Alan","A new estra-1,3,5(10)-triene-3,17β-diol solvate: estradiol‒methanol‒water (3/2/1)","Acta Crystallographica Section C","2003","59","2","o80","o82","10.1107/S0108270102021637","","","0.56085","AgKα","","0.085","0.058","","","0.134","0.145","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013219","22.782","0.008","8.11","0.005","9.995","0.005","90","","91.19","0.02","90","","1846.3","1.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-n-tetradecylamine oxide","","- C16 H39 N O3 -","- C16 H39 N O3 -","- C64 H156 N4 O12 -","4","1","SQ1004","Sauer, Joe D.; Elnagar, Hassan Y.; Fronczek, Frank R.","The solid dihydrate of <i>N,N</i>-dimethyl-<i>n</i>-tetradecylamine oxide","Acta Crystallographica Section C","2003","59","2","o62","o64","10.1107/S0108270102022862","","","0.71073","MoKα","","0.18","0.086","","","0.16","0.195","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013220","10.7036","0.0002","11.6479","0.0002","17.4618","0.0003","70.848","0.001","78.069","0.001","84.194","0.001","2010.81","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","ansa-[isodicyclopentadienyl(dimethylsilane)(3,5-dimethylphenylamido)]~2~ zirconium","bis{N-(3,5-dimethylphenyl)-N-[(η^5^-isodicyclopentadien- 2-yl)dimethylsilyl]amido-κN}zirconium(II) diethyl ether solvate","","- C44 H60 N2 O Si2 Zr -","- C44 H60 N2 O Si2 Zr -","- C88 H120 N4 O2 Si4 Zr2 -","2","1","SQ1005","Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.","A doubly bridged isodicyclopentadienyl zirconium complex: bis{<i>N</i>-(3,5-dimethylphenyl)-<i>N</i>-[(η^5^-isodicyclopentadien-2-yl)dimethylsilyl]amido-κ<i>N</i>}zirconium(II) diethyl ether solvate","Acta Crystallographica Section C","2003","59","2","m67","m69","10.1107/S0108270103000751","","","0.71073","MoKα","","0.063","0.038","","0.086","","0.077","","","1.028","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013221","14.215","0.004","7.458","0.002","9.493","0.003","90","","90","","90","","1006.4","0.5","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide","","- C24 H16 Cu I N4 -","- C24 H16 Cu I N4 -","- C48 H32 Cu2 I2 N8 -","2","0.25","TA1392","Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan","Two polymorphs of bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) iodide","Acta Crystallographica Section C","2003","59","1","m7","m9","10.1107/S0108270102020590","","","0.71073","MoKα","","0.06","0.046","","","0.113","0.119","","","","","","1.241","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013222","16.2547","0.0007","29.4171","0.0013","18.1262","0.0008","90","","90","","90","","8667.3","0.7","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide","","- C24 H16 Cu I N4 -","- C24 H16 Cu I N4 -","- C384 H256 Cu16 I16 N64 -","16","1","TA1392","Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan","Two polymorphs of bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) iodide","Acta Crystallographica Section C","2003","59","1","m7","m9","10.1107/S0108270102020590","","","0.71073","MoKα","","0.078","0.035","","","0.088","0.107","","","","","","0.98","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013223","7.0359","0.0015","7.173","0.0015","10.084","0.002","81.697","0.004","82.041","0.004","63.642","0.004","449.65","0.16","298","2","294","2","","","","","","","","4","P -1","-P 1","2","Uranyl nitrate trihydrate","Uranyl dinitrate trihydrate","","- H6 N2 O11 U -","- H6 N2 O11 U -","- H12 N4 O22 U2 -","2","1","TA1396","Hughes, Karrie-Ann; Burns, Peter C.","Uranyl dinitrate trihydrate, UO~2~(NO~3~)~2~(H~2~O)~3~","Acta Crystallographica Section C","2003","59","1","i7","i8","10.1107/S0108270102021108","","","0.71073","MoKα","","0.093","0.043","","","0.095","0.109","","","","","","1.008","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2013224","7.549","0.001","7.549","0.001","8.097","0.001","90","","90","","120","","399.61","0.09","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Lithium aluminium silicide (15/3/6)","","- Al3.39 Li14.61 Si6 -","- Al3.386 Li14.614 Si6 -","- Al3.386 Li14.614 Si6 -","1","0.0833333","TA1397","Spina, Laurent; Tillard, Monique; Belin, Claude","Li~15~Al~3~Si~6~ (Li~14.6~Al~3.4~Si~6~), a compound displaying a heterographite-like anionic framework","Acta Crystallographica Section C","2003","59","2","i9","i10","10.1107/S0108270102022680","","","0.71073","MoKα","","0.064","0.036","","","0.035","0.049","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013225","10.4353","0.0005","10.4491","0.0005","14.876","0.0007","92.412","0.001","101.471","0.001","109.599","0.001","1487.14","0.12","213","2","213","2","","","","","","","","3","P 1","P 1","1","","3β-o-(L-thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide methanol solvate monohydrate","","- C61 H98 O18 -","- C61 H98 O18 -","- C61 H98 O18 -","1","1","TA1401","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma","Bis[14β-hydroxy-3β-<i>O</i>-(<small>L</small>-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-<i>O</i>-(<small>L</small>-2'-<i>o</i>-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide","Acta Crystallographica Section C","2003","59","2","o68","o70","10.1107/S0108270102023065","","","0.71073","MoKα","","0.0874","0.0657","","","0.1683","0.1823","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013226","7.3351","0.0003","21.477","0.0009","9.9056","0.0004","90","","97.007","0.001","90","","1548.83","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-o-(L-2'-o-acetyl thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide","","- C32 H48 O9 -","- C32 H48 O9 -","- C64 H96 O18 -","2","1","TA1401","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma","Bis[14β-hydroxy-3β-<i>O</i>-(<small>L</small>-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-<i>O</i>-(<small>L</small>-2'-<i>o</i>-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide","Acta Crystallographica Section C","2003","59","2","o68","o70","10.1107/S0108270102023065","","","0.71073","MoKα","","0.0595","0.0454","","","0.1026","0.1062","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013227","6.04","0.003","13.303","0.005","17.699","0.007","90","","94.096","0.008","90","","1418.5","1","130","2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methyl-4-piperidyl 2,4-dinitrobenzoate","","- C13 H15 N3 O6 -","- C13 H15 N3 O6 -","- C52 H60 N12 O24 -","4","1","TA1405","Andrau, Laura; White, Jonathan","Conformation of <i>N</i>-methyl-4-piperidyl 2,4-dinitrobenzoate","Acta Crystallographica Section C","2003","59","2","o60","o61","10.1107/S0108270102022254","","","0.71073","MoKα","","0.074","0.051","","","0.109","0.118","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013228","15.806","0.002","16.6172","0.0018","20.644","0.002","90","","95.872","0.01","90","","5393.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(dibenzoylcarbenyl-κC)(pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato- κ^4^N)ruthenium(II)","","- C68 H51 N5 O2 Ru -","- C68 H51 N5 O2 Ru -","- C272 H204 N20 O8 Ru4 -","4","0.5","TR1046","Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken","The <i>trans</i> influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes","Acta Crystallographica Section C","2003","59","2","m37","m39","10.1107/S0108270102022461","","","0.71069","MoKα","","0.19","0.061","","","0.14","0.182","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013229","12.4428","0.0017","17.3768","0.0019","25.1794","0.0017","90","","99.436","0.009","90","","5370.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato-κ^4^N)[bis(3- trifluoromethylphenyl)carbenyl-κC]ruthenium(II)","","- C68 H49 F6 N5 Ru -","- C68 H49 F6 N5 Ru -","- C272 H196 F24 N20 Ru4 -","4","1","TR1046","Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken","The <i>trans</i> influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes","Acta Crystallographica Section C","2003","59","2","m37","m39","10.1107/S0108270102022461","","","0.71069","MoKα","","0.071","0.038","","","0.096","0.108","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013230","7.837","0.002","9.135","0.002","15.649","0.003","89.65","0.02","76.04","0.02","66.99","0.02","995.8","0.4","122","2","122","2","","","","","","","","6","P -1","-P 1","2","I","(1-thia-4,7-diazacyclodecyl-κ^3^N^4^,N^7^,C^10^)(1,4,7-triazacyclononane- κ^3^N^1^,N^4^,N^7^)cobalt(III) dithionate hydrate","","- C13 H32 Co N5 O7 S3 -","- C13 H32 Co N5 O7 S3 -","- C26 H64 Co2 N10 O14 S6 -","2","1","TR1048","Harris, Pernille; Kofod, Pauli; Song, Yong Sheng; Larsen, Erik","The Co^III^—C bond in (1-thia-4,7-diazacyclodecyl-κ^3^<i>N</i>^4^,<i>N</i>^7^,<i>C</i>^10^)(1,4,7-triazacyclononane-κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^)cobalt(III) dithionate hydrate","Acta Crystallographica Section C","2003","59","2","m58","m60","10.1107/S0108270102022825","","","0.71073","MoKα","","0.045","0.033","","","0.07","0.076","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013231","6.8638","0.0016","15.861","0.004","17.014","0.007","90","","90","","90","","1852.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-O-β-L-fucopyranosyl α-D-glucopyranoside trihydrate","","- C13 H30 O13 -","- C13 H30 O13 -","- C52 H120 O52 -","4","1","TR1049","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Methyl 3-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside trihydrate","Acta Crystallographica Section C","2003","59","3","o171","o173","10.1107/S0108270103002865","","","0.872","synchrotron","","0.0475","0.0356","","","0.0847","0.0867","","","","","","1.561","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013232","15.2979","0.0002","13.002","0.0002","17.7821","0.0002","90","","90.0302","0.0007","90","","3536.92","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua[μ-(N^1^-carboxatomethylguanidino)oxidoacetato](μ-guanidinoacetic acid)dicopper(II) nitrate dihydrate","","- C8 H19 Cu2 N7 O13 -","- C8 H19 Cu2 N7 O13 -","- C64 H152 Cu16 N56 O104 -","8","2","TR1052","Felcman, Judith; Howie, R. Alan; Lopes de Miranda, Jussara; Skakle, Janet M.S.; Wardell, James L.","The nitrate dihydrate of an aquadicopper(II) complex cation with guanidinoacetic acid and a novel trianionic disubstituted guanidine as ligands at 120K","Acta Crystallographica Section C","2003","59","3","m103","m106","10.1107/S0108270103003329","","","0.71073","MoKα","","0.0404","0.0345","","","0.0813","0.0836","","","","","","1.142","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013233","11.057","0.002","11.0584","0.0018","11.339","0.003","78.42","0.018","64.689","0.016","65.696","0.016","1141.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate","","- C12 H44 Cl6 Gd2 N4 O40 -","- C12 Cl6 Gd2 N4 O40 -","- C12 Cl6 Gd2 N4 O40 -","1","0.5","VJ1183","Jinping Wang; Ninghai Hu; Kuiyue Yang; Haiyuan Zhang; Chunji Niu","Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate","Acta Crystallographica Section C","2003","59","2","m52","m54","10.1107/S0108270102022734","","","0.71073","MoKα","","0.0492","0.0437","","","0.1167","0.1191","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013234","5.862","0.001","12.941","0.004","10.538","0.004","90","","105.12","0.03","90","","771.7","0.4","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","- C24 H24 Cl8 Cu2 N4 -","2","0.5","AV1127","Richeng Xuan; Weixiao Hu; Zhongyu Yang; Rirong Xuan","Dichlorobis(2-chloro-5-methylpyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2003","59","4","m112","m114","10.1107/S0108270103002956","","","0.71073","MoKα","","","0.0369","","","","0.1164","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013235","14.2021","0.0012","7.2102","0.0016","15.368","0.003","90","","103.945","0.009","90","","1527.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(di-μ-bromo(pyridine-3-carboxylato-O,O',N))mercury(II)","catena-(di-μ-bromo(pyridine-3-carboxylato-O,O',N))mercury(II)","","- C6 H4 Br Hg N O2 -","- C6 H4 Br Hg N O2 -","- C48 H32 Br8 Hg8 N8 O16 -","8","1","AV1131","Popović, Zora; Pavlović, Gordana; Matković -Čalogović , Dubravka; Soldin, Željka","Polymeric μ-bromo-μ-pyridine-3-carboxylato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>-mercury(II)","Acta Crystallographica Section C","2003","59","5","m165","m167","10.1107/S0108270103005705","","","0.71073","MoKα","","0.0694","0.0324","","","0.0742","0.0837","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013236","8.4753","0.0008","9.5364","0.0008","10.121","0.0011","76.128","0.008","72.381","0.009","69.917","0.008","723.76","0.13","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Dipotassium Bis[(μ-isothiocyanato-N,S) (N-salicylidene-DL-valinato-O,N,O')cuprate(II)]","","- C13 H13 Cu K N2 O3 S -","- C13 H13 Cu K N2 O3 S -","- C26 H26 Cu2 K2 N4 O6 S2 -","2","1","AV1132","Vančo, Ján; Švajlenová, Oľga; Marek, Jaromír","Dipotassium di-μ-isothiocyanato-κ^4^<i>N</i>:<i>S</i>-bis[(<i>N</i>-salicylidene-<small>DL</small>-valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cuprate(II)]","Acta Crystallographica Section C","2003","59","5","m190","m192","10.1107/S0108270103006760","","","0.71073","MoKα","","0.0344","0.0304","","","0.0814","0.1118","","","","","","0.978","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2013237","6.732","0.001","11.5","0.002","14.64","0.003","90","","90","","90","","1133.4","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H20 Cl4 Cu2 N16 -","- C12 H20 Cl4 Cu2 N16 -","- C24 H40 Cl8 Cu4 N32 -","2","0.25","AV1134","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Pytleva, Dariya S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.","<i>catena</i>-Poly[[bis[μ-1,2-bis(1-methyltetrazol-5-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[chlorocopper(II)]]-di-μ-chloro]","Acta Crystallographica Section C","2003","59","6","m221","m223","10.1107/S0108270103008977","","","0.71073","MoKα","","0.0327","0.0312","","","0.1016","0.103","","","","","","1.261","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013238","15.4724","0.0015","7.7881","0.0008","6.4942","0.0006","90","","90","","90","","782.55","0.13","250","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co H5 K O9 P2 -","- Co H5 K O9 P2 -","- Co4 H20 K4 O36 P8 -","4","0.5","AV1135","Harcharras, Mohamed; Goubitz, Kees; Ennaciri, Abdelaziz; Assaaoudi, Hassane; Schenk, Henk","KHCoP~2~O~7~·2H~2~O: a novel acidic pyrophosphate","Acta Crystallographica Section C","2003","59","6","i57","i58","10.1107/S0108270103010084","","","0.71073","MoKα","","0.034","0.034","","0.039","","0.039","","","1.378","","","1.374","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013239","7.117","0.005","7.117","0.005","10.542","0.009","90","","90","","120","","462.4","0.6","298","2","298","2","","","","","","","","4","P 63/m","-P 6c","176","FDZG-2","diammonium zirconium getmanate","","- Ge3 N2 O9 Zr -","- Ge3 N2 O9 Zr -","- Ge6 N4 O18 Zr2 -","2","0.166667","BC1005","Zhicheng Liu; Linhong Weng; Zhenxia Chen; Dongyuan Zhao","(NH~4~)~2~ZrGe~3~O~9~: a new microporous zirconogermanate","Acta Crystallographica Section C","2003","59","5","i29","i31","10.1107/S0108270103005353","","","0.71073","MoKα","","0.0763","0.0524","","","0.1025","0.1098","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013240","9.2527","0.0006","9.2527","0.0006","25.41","0.002","90","","90","","120","","1884","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Niobium chloride","Potassium yttrium hexaniobium octadecachloride","","- Cl18 K Nb6 Y -","- Cl18 K Nb6 Y -","- Cl54 K3 Nb18 Y3 -","3","0.166667","BC1007","Duraisamy, Thirumalai; Lachgar, Abdessadek","Potassium yttrium hexaniobium octadecachloride, KYNb~6~Cl~18~","Acta Crystallographica Section C","2003","59","4","i27","i28","10.1107/S0108270103003731","","","0.71073","MoKα","","0.0538","0.0323","","","0.0458","0.0499","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013241","8.9829","0.0006","10.7777","0.0005","11.9761","0.0009","104.979","0.004","99.028","0.002","99.963","0.003","1078.12","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","copper tetrasodium decavanadate icositrihydrate","","","- Cu H46 Na4 O51 V10 -","- Cu H42 Na4 O51 V10 -","- Cu H42 Na4 O51 V10 -","1","0.5","BC1014","Iida, Akifumi; Ozeki, Tomoji","Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O","Acta Crystallographica Section C","2003","59","6","i41","i44","10.1107/S0108270103008552","","","0.71073","MoKα","","0.0305","0.0279","","","0.0666","0.0678","","","","","","1.244","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013242","8.8567","0.0005","10.7189","0.0006","11.5492","0.0007","104.662","0.002","95.579","0.003","102.064","0.003","1024.14","0.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","tricopper decavanadate icositetrahydrate","","","- Cu3 H48 O52 V10 -","- Cu3 H48 O52 V10 -","- Cu3 H48 O52 V10 -","1","0.5","BC1014","Iida, Akifumi; Ozeki, Tomoji","Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O","Acta Crystallographica Section C","2003","59","6","i41","i44","10.1107/S0108270103008552","","","0.71073","MoKα","","0.0248","0.022","","","0.0649","0.077","","","","","","1.342","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013243","10.4467","0.0009","15.4969","0.0013","7.6471","0.0006","90","","90","","90","","1238","0.18","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","zinc tellurium oxochloride","dizinc tellurium dichloride trioxide","","- Cl2 O3 Te Zn2 -","- Cl2 O3 Te Zn2 -","- Cl16 O24 Te8 Zn16 -","8","1","BC1017","Johnsson, Mats; Törnroos, Karl W.","A synthetic zinc tellurium oxochloride, Zn~2~(TeO~3~)Cl~2~","Acta Crystallographica Section C","2003","59","6","i53","i54","10.1107/S0108270103009715","","","0.71073","MoKα","","0.0175","0.0158","","","0.0382","0.0386","","","","","","1.255","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013244","7.6844","0.001","14.424","0.0018","22.378","0.003","90","","90","","90","","2480.4","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2-bromophenyl) disulfide","Bis(2-bromophenyl) disulfide","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C96 H64 Br16 S16 -","8","1","BM1522","J.R. Anacona; Jofre Gómez; Daniel Loroño","Two polymorphs of bis(2-bromophenyl) disulfide","Acta Crystallographica Section C","2003","59","5","o277","o280","10.1107/S0108270103006851","","","0.71073","MoKα","","0.0222","0.0189","","","0.0481","0.0485","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013245","11.8186","0.0019","15.489","0.003","15.653","0.003","102.122","0.005","100.393","0.005","110.001","0.005","2531.4","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Bis(2-bromophenyl) disulfide","Bis(2-bromophenyl) disulfide","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C96 H64 Br16 S16 -","8","4","BM1522","J.R. Anacona; Jofre Gómez; Daniel Loroño","Two polymorphs of bis(2-bromophenyl) disulfide","Acta Crystallographica Section C","2003","59","5","o277","o280","10.1107/S0108270103006851","","","0.71073","MoKα","","0.0501","0.0346","","","0.0581","0.0595","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013246","5.5633","0.0016","10.4599","0.0011","20.314","0.004","90","","95.51","0.02","90","","1176.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","BM1525","Tunc̨, Tuncay; Yag̨basan, Rahmi; Tezcan, Habibe; Sarı, Musa; S̨ahin, Ertan","<i>N</i>-(4-Methoxybenzylidene)-<i>N</i>'-(2-pyridyl)hydrazine","Acta Crystallographica Section C","2003","59","4","o192","o193","10.1107/S0108270103004256","","","0.71073","MoKα","","","0.042","","","0.0977","0.128","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013247","14.3719","0.0003","22.865","0.0006","7.0703","0.0001","90","","90","","90","","2323.4","0.08","100","2","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H14 O -","- C16 H14 O -","- C128 H112 O8 -","8","2","BM1526","Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.","(2<i>RS</i>)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol","Acta Crystallographica Section C","2003","59","6","o283","o285","10.1107/S010827010300708X","","","0.71073","MoKα","","","0.055","","","","0.141","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013248","10.3363","0.0001","37.2805","0.0004","10.8142","0.0001","90","","111.146","0.0007","90","","3886.56","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triphenylphosphine)(tetracyanoethene)palladium‒dichloromethane (1/0.7)","","- C42.7 H31.4 Cl1.4 N4 P2 Pd -","- C42.7 H31.4 Cl1.4 N4 P2 Pd -","- C170.8 H125.6 Cl5.6 N16 P8 Pd4 -","4","1","BM1527","Zoe Shackleton; Colin A. Kilner; Gavin D. Reid; Malcolm A. Halcrow","(η^2^-Tetracyanoethene)bis(triphenylphosphine-κ<i>P</i>)palladium‒dichloromethane (1/0.7)","Acta Crystallographica Section C","2003","59","4","m136","m138","10.1107/S010827010300458X","","","0.71073","MoKα","","0.0492","0.0387","","","0.104","0.11","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013249","16.042","0.002","9.4781","0.001","17.599","0.002","90","","111.49","0.01","90","","2489.9","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cone-25,26:27,28-bis(methylenedioxy)calix[4]arene dichloromethane solvate","","- C31 H26 Cl2 O4 -","- C31 H26 Cl2 O4 -","- C124 H104 Cl8 O16 -","4","0.5","BM1530","Dielemann, Cedric; Matt, Dominique; Jones, Peter G.; Thönnessen, Holger","The host‒guest complex between cone-25,26:27,28-bis(methylenedioxy)calix[4]arene and dichloromethane","Acta Crystallographica Section C","2003","59","5","o247","o249","10.1107/S0108270103006681","","","0.71073","MoKα","","0.0401","0.0347","","","0.0896","0.0925","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013250","5.673","0.002","26.892","0.006","7.764","0.002","90","","100.433","0.01","90","","1164.9","0.6","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-carboxy-1-oxopropylferrocene","","- C14 H14 Fe O3 -","- C14 H14 Fe O3 -","- C56 H56 Fe4 O12 -","4","1","DE1207","Fronczek, Frank R.; Giraldés, José; McLaughlin, Mark L.","Disordered <i>syn</i>‒<i>anti</i> hydrogen-bonded chains in 3-(ferrocenylcarbonyl)propionic acid","Acta Crystallographica Section C","2003","59","5","m159","m161","10.1107/S0108270103006309","","","0.71073","MoKα","","0.062","0.037","","","0.064","0.073","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013251","12.973","0.007","9.708","0.006","46.04","0.03","90","","92.544","0.012","90","","5793","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,7-Tris(2-cyanoethyl)-4,7-triaza-1-azoniacyclononane perchlorate","","- C15 H25 Cl N6 O4 -","- C15 H25 Cl N6 O4 -","- C180 H300 Cl12 N72 O48 -","12","3","DE1210","Qi, Wen-Bin; Li, Yi-Zhi; Ni, Jun; Wang, Zhi-Lin","1,4,7-Tris(2-cyanoethyl)-4,7-triaza-1-azoniacyclononane perchlorate","Acta Crystallographica Section C","2003","59","6","o343","o345","10.1107/S010827010300948X","","","0.71073","MoKα","","0.0888","0.0405","","","0.0873","0.0908","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013252","9.565","0.0019","16.522","0.003","9.021","0.0018","90","","96.28","0.03","90","","1417.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(H4-tet b) bis(hexafluorogermanate)tetrahydrate","rac-5,7,7,12,12,14-hexamethyl- 1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate","","- C16 H48 F12 Ge2 N4 O4 -","- C16 H48 F12 Ge2 N4 O4 -","- C32 H96 F24 Ge4 N8 O8 -","2","0.5","DN1019","Fonari, Marina S.; Simonov, Yurii A.; Chumakov, Yurii M.; Bocelli, Gabriele; Ganin, Eduard V.; Gelmboldt, Vladimir O.","The monoclinic polymorph of <i>rac</i>-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate","Acta Crystallographica Section C","2003","59","5","m168","m170","10.1107/S0108270103005869","","","0.71073","MoKα","","0.0415","0.0276","","","0.0673","0.0717","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013253","11.9744","0.0006","15.7475","0.0004","16.733","0.0008","90","","91.249","0.002","90","","3154.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N2 O9 U -","- C32 H40 N2 O9 U -","- C128 H160 N8 O36 U4 -","4","1","DN1021","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","A bis(acetylacetonato)uranium(IV) complex of the Schiff base <i>N</i>,<i>N</i>'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine","Acta Crystallographica Section C","2003","59","6","m246","m248","10.1107/S0108270103008382","","","0.71073","MoKα","","0.0551","0.0393","","","0.0862","0.0923","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013254","13.0161","0.0013","13.229","0.0014","26.496","0.003","90","","90","","90","","4562.3","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H59 N3 O13 S -","- C45 H59 N3 O13 S -","- C180 H236 N12 O52 S4 -","4","1","FA1005","Sainz-Diaz, C. Ignacio; Manzanares, Ignacio; Francesch, Andres; Garcia-Ruiz, Juanma","The potent anticancer compound ecteinascidin-743 (ET-743) as its 2-propanol disolvate","Acta Crystallographica Section C","2003","59","4","o197","o198","10.1107/S0108270103003676","","","0.71073","MoKα","","","0.0775","","","","0.1317","","","","","","1.124","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013255","6.8711","0.0011","15.231","0.002","19.263","0.003","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside","methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside","","- C17 H30 O8 -","- C17 H30 O8 -","- C68 H120 O32 -","4","1","FA1007","Matijašić, Ivanka; Pavlović, Gordana; Trojko Jr., Rudolf","Methyl 3,6-di-<i>O</i>-pivaloyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","2003","59","4","o184","o186","10.1107/S010827010300324X","","","0.71073","MoKα","","0.1087","0.0426","","","0.1003","0.1203","","","","","","0.93","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013256","5.404","0.0002","7.6062","0.0004","22.1898","0.0011","90","","94.208","0.003","90","","909.63","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one","","- C18 H35 N O4 -","- C18 H35 N O4 -","- C36 H70 N2 O8 -","2","1","FA1009","Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Bolte, Michael; Kolter, Thomas","(4<i>S</i>,5<i>S</i>)-4-[(1<i>R</i>)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2003","59","5","o225","o227","10.1107/S0108270103005493","","","0.71073","MoKα","","0.0415","0.0336","","","0.0815","0.0841","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013257","5.129","0.0007","5.307","0.001","10.359","0.0014","99.902","0.014","101.139","0.014","101.495","0.013","264.53","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","aqua hydroxyl copper(II) oxo-vanadium(IV) vanadate","","- Cu H3 O7 V2 -","- Cu H3 O7 V2 -","- Cu2 H6 O14 V4 -","2","1","FA1011","Trombe, Jean-Christian; Rozier, Patrick; Galy, Jean","A new aquahydroxidocopper(II) oxovanadium(IV) vanadate, Cu(H~2~O)(OH)VO(VO~4~)","Acta Crystallographica Section C","2003","59","6","i50","i52","10.1107/S0108270103008047","","","0.71073","MoKα","","0.0361","0.0322","","","0.0865","0.0886","","","","","","1.122","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013258","8.6868","0.0007","22.0328","0.0013","7.592","0.003","90","","104.407","0.016","90","","1407.4","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","FA1012","Dey, Sankar Prasad; Dey, Dilip Kumar; Mallik, Asok Kumar; Dahlenburg, Lutz","6-(2-Hydroxybenzoyl)-5-(pyrrol-2-yl)-3<i>H</i>-pyrrolizine","Acta Crystallographica Section C","2003","59","6","o321","o322","10.1107/S0108270103008394","","","0.71073","MoKα","","","0.043","","","","0.1131","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013259","7.0453","0.0004","7.0453","0.0004","9.5608","0.0007","90","","90","","120","","410.98","0.04","297","2","","","","","","","","","Synthetic","3","P 32","P 32","145","orthoboric acid","boric acid","","- B H3 O3 -","- B H3 O3 -","- B6 H18 O18 -","6","2","FA1014","Shuvalov, Robert R.; Burns, Peter C.","A new polytype of orthoboric acid, H~3~BO~3~-3<i>T</i>","Acta Crystallographica Section C","2003","59","6","i47","i49","10.1107/S0108270103009685","","","0.71073","MoKα","","","0.0438","","","","0.0884","","","","","","1","","","","has coordinates,has Fobs","282067","2023-03-26","07:49:21",""
"2013260","11.642","0.0005","11.8755","0.0005","12.7087","0.0006","102.261","0.01","103.03","0.01","95.789","0.01","1652.21","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{2-[1-acetyl-5-(2-hydroxyphenyl)-4-phenyl-1,2,4-diazaphospholan-3-yl]phenyl acetate-κP}chloro(cycloocta-1,5-diene-κ^4^C^1^,C^2^,C^5^,C^6^)rhodium(I) dichloromethane solvate","","- C33 H37 Cl3 N2 O4 P Rh -","- C33 H37 Cl3 N2 O4 P Rh -","- C66 H74 Cl6 N4 O8 P2 Rh2 -","2","1","FG1680","Clark, Robert W.; Guzei, Ilia A.; Jin, Wiechang C.; Landis, Clark R.","A 1,2,4-diazaphospholane complex of rhodium","Acta Crystallographica Section C","2003","59","4","m144","m145","10.1107/S0108270103002142","","","0.71073","MoKα","","0.037","0.034","","","0.086","0.088","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013261","11.7086","0.0013","11.7086","0.0013","6.4475","0.0008","90","","90","","120","","765.48","0.15","120","2","120","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","Catena-(sodium trisacetone solvate) polyiodide","","- C9 H18 I2 Na O3 -","- C9 H18 I2 Na O3 -","- C18 H36 I4 Na2 O6 -","2","0.0833333","FG1688","Howie, R. Alan; Wardell, James L.","Polymeric tris(μ~2~-acetone-κ^2^<i>O</i>:<i>O</i>)sodium polyiodide at 120K","Acta Crystallographica Section C","2003","59","5","m184","m186","10.1107/S0108270103006395","","","0.71073","MoKα","","0.0598","0.0468","","","0.1141","0.1328","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013262","10.3189","0.0014","11.2427","0.0017","11.8631","0.0015","93.077","0.012","111.112","0.011","113.483","0.012","1145.8","0.3","296","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H54 Fe N6 -","- C56 H54 Fe N6 -","- C56 H54 Fe N6 -","1","0.5","FG1690","Munro, Orde Q.; Ntshangase, Mthembeni M.","[Fe(TPP)(4-MePip)~2~]: an axially compressed bis(secondary amine) complex of an iron(II) porphyrin","Acta Crystallographica Section C","2003","59","6","m224","m227","10.1107/S0108270103008734","","","0.71073","MoKα","","","0.0375","","","","0.107","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013263","15.655","0.013","15.655","0.005","16.869","0.013","90","","90","","90","","4134","5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","dipropyl 3,6-diphenyl-1,2-dihydro-s-tetrazine-1,2-dicarbonate","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C176 H192 N32 O32 -","8","0.5","FR1397","Guo-Wu Rao; Wei-Xiao Hu","Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate","Acta Crystallographica Section C","2003","59","5","o281","o282","10.1107/S0108270103007212","","","0.71073","MoKα","","0.0592","0.0379","","","0.1","0.1114","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013264","11.641","0.001","12.019","0.001","17.999","0.002","90","","98.94","0.01","90","","2487.7","0.4","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[chlorotris(4- methylphenyl)tin(IV)]","","- C54 H52 Cl2 N2 Sn2 -","- C54 H52 Cl2 N2 Sn2 -","- C108 H104 Cl4 N4 Sn4 -","2","0.5","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.035","0.028","","","0.066","0.07","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013265","11.736","0.001","12.06","0.001","18.054","0.002","90","","98.76","0.01","90","","2525.5","0.4","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[bromotris(4- methylphenyl)tin(IV)]","","- C54 H52 Br2 N2 Sn2 -","- C54 H52 Br2 N2 Sn2 -","- C108 H104 Br4 N4 Sn4 -","2","0.5","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.042","0.036","","","0.101","0.105","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013266","12.167","0.001","12.323","0.001","16.98","0.002","90","","97.28","0.01","90","","2525.4","0.4","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[iodotris(4- methylphenyl)tin(IV)]","","- C54 H52 I2 N2 Sn2 -","- C54 H52 I2 N2 Sn2 -","- C108 H104 I4 N4 Sn4 -","2","0.5","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.038","0.03","","","0.059","0.062","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013267","15.767","0.002","14.64","0.002","19.148","0.003","90","","102.34","0.01","90","","4317.8","1.1","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[chlorotriphenyltin(IV)]","","- C48 H40 Cl2 N2 Sn2 -","- C48 H40 Cl2 N2 Sn2 -","- C192 H160 Cl8 N8 Sn8 -","4","1","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.043","0.027","","","0.059","0.064","","","","","","0.81","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013268","10.593","0.001","15.134","0.002","28.592","0.003","90","","90","","90","","4583.7","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ansa-[(tert-butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~","(N-tert-butyl-N-{[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methano-1H-inden- 2-yl]dimethylsilyl}amido)-κN]bis(N-methylmethanaminato-κN)zirconium(IV)","","- C20 H37 N3 Si Zr -","- C20 H37 N3 Si Zr -","- C160 H296 N24 Si8 Zr8 -","8","1","FR1410","Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.","<i>ansa</i>-[(<i>tert</i>-Butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~ prepared by an amine-elimination reaction","Acta Crystallographica Section C","2003","59","4","m109","m111","10.1107/S0108270103003172","","","0.71073","MoKα","","0.038","0.029","","","0.075","0.08","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013269","12.823","0.003","11.269","0.004","15.407","0.004","90","","102.86","0.015","90","","2170.5","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-α-fluoro-16-α-methyl-3,11-dioxoandrosta-1,4-diene-17β- carboxylic acid","","- C23 H29 F O6 -","- C23 H29 F O6 -","- C92 H116 F4 O24 -","4","2","FR1413","Lalancette, Roger A.; Thompson, Hugh W.","9α-Fluoro-16α-methyl-3,11-dioxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding and acetic acid solvation in a steroidal keto acid related to dexamethasone","Acta Crystallographica Section C","2003","59","5","o274","o276","10.1107/S0108270103007121","","","0.71073","MoKα","","0.102","0.059","","","0.128","0.146","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013270","18.036","0.009","4.836","0.002","19.79","0.011","90","","97.02","0.02","90","","1713.2","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5- benzothiazepine","","- C21 H16 Cl N O S -","- C21 H16 Cl N O S -","- C84 H64 Cl4 N4 O4 S4 -","4","1","FR1416","Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif","Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section C","2003","59","6","o298","o301","10.1107/S0108270103008345","","","0.71073","MoKα","","0.076","0.044","","","0.097","0.113","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013271","4.8678","0.0011","17.563","0.003","20.129","0.005","90","","93.078","0.008","90","","1718.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-hydroxylphenyl)-2-phenyl-2-(4-tolyl)-2,3-dihydro-1,5-benzothiazepine","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","FR1416","Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif","Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section C","2003","59","6","o298","o301","10.1107/S0108270103008345","","","0.71073","MoKα","","0.092","0.046","","","0.103","0.121","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013272","11.973","0.002","16.224","0.004","9.25","0.003","90","","94.437","0.009","90","","1791.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-hydroxylphenyl)-2-(4-methoxyphenyl)-2-phenyl-2,3-dihydro-1,5- benzothiazepine","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","FR1416","Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif","Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section C","2003","59","6","o298","o301","10.1107/S0108270103008345","","","0.71073","MoKα","","0.064","0.04","","","0.095","0.107","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013273","11.3771","0.0007","7.3386","0.0004","7.9974","0.0007","90","","103.431","0.006","90","","649.46","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ammonium 1,5-naphthalenedisulfonate","bis(ammonium) naphthalene-1,5-disulfonate","","- C10 H14 N2 O6 S2 -","- C10 H14 N2 O6 S2 -","- C20 H28 N4 O12 S4 -","2","0.5","FR1418","Sakwa, Samuel; Wheeler, Kraig A.","Two bis(ammonium) 1,5-naphthalenedisulfonate salts","Acta Crystallographica Section C","2003","59","6","o332","o334","10.1107/S0108270103008333","","","0.71073","MoKα","","0.0366","0.0316","","","0.082","0.0859","","","","","","1.092","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013274","6.0625","0.0004","19.282","0.001","11.6207","0.0007","90","","96.72","0.04","90","","1349.09","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-hydroxymethylhexamethylenetetraaminium 1,5-naphthalenedisulfonate","bis[1-(hydroxymethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane] 1,5-naphthalenedisulfonate","","- C24 H36 N8 O8 S2 -","- C24 H36 N8 O8 S2 -","- C48 H72 N16 O16 S4 -","2","0.5","FR1418","Sakwa, Samuel; Wheeler, Kraig A.","Two bis(ammonium) 1,5-naphthalenedisulfonate salts","Acta Crystallographica Section C","2003","59","6","o332","o334","10.1107/S0108270103008333","","","0.71073","MoKα","","0.0465","0.0381","","","0.1026","0.1082","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013275","10.234","0.002","13.69","0.004","10.478","0.002","90","","119.174","0.015","90","","1281.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[[di-μ-chloro-bis[chloro(2-ethyltetrazole-kN^4^)copper(II)]]- di-μ-ethyltetrazole-k^2^N^1^:N^4^]","","- C6 H12 Cl2 Cu N8 -","- C6 H12 Cl2 Cu N8 -","- C24 H48 Cl8 Cu4 N32 -","4","1","FR1419","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.","The layered structure of poly[[di-μ-chloro-bis[chloro(2-ethyltetrazole-κ<i>N</i>^4^)copper(II)]]-di-μ-2-ethyltetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2003","59","6","m204","m206","10.1107/S0108270103008321","","","0.71073","MoKα","","0.0374","0.0341","","","0.0966","0.0982","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013276","19.91","0.003","7.8559","0.0008","19.263","0.002","90","","90","","90","","3012.9","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^N:N']bis[aquadinitratocadmium(II)]","","- C24 H20 Cd2 N8 O14 -","- C24 H20 Cd2 N8 O14 -","- C96 H80 Cd8 N32 O56 -","4","0.5","FR1421","Zaman, Md. Badruz; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^<i>N</i>:<i>N</i>']bis[aquadinitratocadmium(II)]","Acta Crystallographica Section C","2003","59","6","m234","m236","10.1107/S0108270103008904","","","0.71073","MoKα","","0.0224","0.0191","","","0.0507","0.0517","","","","","","1.057","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013277","14.5104","0.0011","14.5104","0.0011","15.7725","0.0016","90","","90","","120","","2876","0.4","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","hexaaquahexakis(μ~3~-2,2'-oxydiacetato)trizinc(II)digadolinium(III) dodecahydrate","","- C24 H60 Gd2 O48 Zn3 -","- C24 H36 Gd2 O45.342 Zn3 -","- C48 H72 Gd4 O90.684 Zn6 -","2","0.0833333","GA1010","Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa","Polymeric hexaaquahexakis(μ~3~-2,2'-oxydiacetato)trizinc(II)digadolinium(III) dodecahydrate","Acta Crystallographica Section C","2003","59","5","m175","m177","10.1107/S010827010300595X","","","0.71073","MoKα","","0.0376","0.0316","","","0.0921","0.0962","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013278","8.87","0.002","10.64","0.002","12.685","0.002","103.36","0.02","98.79","0.02","110.45","0.02","1054.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","di-μ-sulfato-κ^3^O,O':O''-bis{aqua[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N^1^,N^2^,N^6^]cadmium(II)} tetrahydrate","","- C36 H36 Cd2 N12 O14 S2 -","- C36 H36 Cd2 N12 O14 S2 -","- C36 H36 Cd2 N12 O14 S2 -","1","0.5","GA1011","Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio","Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine","Acta Crystallographica Section C","2003","59","5","m171","m174","10.1107/S0108270103006462","","","0.71073","MoKα","","0.0832","0.0381","","","0.0508","0.0563","","","","","","0.878","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013279","9.7","0.002","9.755","0.002","10.324","0.002","110.34","0.02","116.59","0.02","98.83","0.02","761.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","di-μ-sulfato-κ^2^O:O'-bis[(2,2':6',2''-terpyridine- κ^3^N^1^,N^1'^,N^1''^)zinc(II)] dihydrate","","- C30 H26 N6 O10 S2 Zn2 -","- C30 H26 N6 O10 S2 Zn2 -","- C30 H26 N6 O10 S2 Zn2 -","1","0.5","GA1011","Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio","Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine","Acta Crystallographica Section C","2003","59","5","m171","m174","10.1107/S0108270103006462","","","0.71073","MoKα","","0.0579","0.0401","","","0.0682","0.0728","","","","","","0.848","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013280","6.005","0.003","17.448","0.004","10.453","0.005","90","","93.846","0.004","90","","1092.7","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3β-ol","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C54 H62 N2 O4 -","2","1","GD1244","Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P.","16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3β-ol","Acta Crystallographica Section C","2003","59","4","o213","o215","10.1107/S0108270103005419","","","0.71073","MoKα","","0.0773","0.0539","","","0.123","0.1364","","","","","","1.054","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013281","24.0235","0.0005","7.9361","0.0002","20.2167","0.0005","90","","107.824","0.001","90","","3669.37","0.15","150","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H26 N8 O2 -","- C14 H26 N8 O2 -","- C112 H208 N64 O16 -","8","2","GD1245","Zoran Štefanić; Biserka Kojić-Prodić; Zoran Džolić; Darinka Katalenić; Mladen Žinić; Anton Meden","Hydrogen bonding in <i>N</i>,<i>N</i>'-bis[(1<i>S</i>)-2-azido-1-(2-methylpropyl)ethyl]oxalamide: twofold symmetry of <i>R</i>f̱{_2^2}(10) hydrogen-bonded dimers connected into an α-network","Acta Crystallographica Section C","2003","59","6","o286","o288","10.1107/S0108270103005286","","","0.71069","MoKα","","","0.0537","","","","0.1287","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013282","9.7611","0.0014","10.1229","0.0015","10.7545","0.0013","88.349","0.009","87.715","0.009","62.925","0.009","945.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","N-(4-methoxyphenyl)proline peptidomimetic","(±)-5-(4-Methoxyphenylaminocarbonyl)-1-azabicyclo[3.3.0]octan-2-one benzene solvate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C42 H48 N4 O6 -","2","1","GD1247","Wheeler, Kraig A.","(±)-5-(4-Methoxyphenylaminocarbonyl)-1-azabicyclo[3.3.0]octan-2-one benzene solvate","Acta Crystallographica Section C","2003","59","5","o231","o233","10.1107/S0108270103006097","","","0.71073","MoKα","","0.1024","0.0543","","","0.1147","0.1341","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013283","32.7581","0.001","5.9616","0.0002","13.3424","0.0005","90","","104.285","0.0013","90","","2525.08","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dimethyl ferrocene-1,1'-dicarboxylate","dimethyl ferrocene-1,1'-dicarboxylate","","- C14 H14 Fe O4 -","- C14 H14 Fe O4 -","- C112 H112 Fe8 O32 -","8","1","GD1249","Cetina, Mario; Jukić, Marijana; Rapić, Vladimir; Golobič, Amalija","Ferrocene compounds. XXXVIII. Dimethyl ferrocene-1,1'-dicarboxylate","Acta Crystallographica Section C","2003","59","6","m212","m214","10.1107/S0108270103008503","","","0.71073","MoKα","","0.0625","0.0464","","","0.1283","0.1412","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013284","16.9296","0.0009","9.3433","0.0005","7.3389","0.0015","90","","90","","90","","1160.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Benzo-1,3-thiazole-6-carboxamidinium chloride dihydrate","","- C8 H12 Cl N3 O2 S -","- C8 H12 Cl N3 O2 S -","- C32 H48 Cl4 N12 O8 S4 -","4","1","GG1150","Matković-Čalogović, Dubravka; Popović, Zora; Tralić-Kulenović, Vesna; Racanè, Livio; Karminski-Zamola, Grace","1,3-Benzothiazole-6-carboxamidinium chloride dihydrate","Acta Crystallographica Section C","2003","59","4","o190","o191","10.1107/S0108270103001574","","","0.71073","MoKα","","0.0405","0.0323","","","0.0769","0.0812","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013285","6.027","0.002","12.901","0.004","12.49","0.003","90","","103.96","0.03","90","","942.5","0.5","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-fluoropyridinium triflate","","- C6 H5 F4 N O3 S -","- C6 H5 F4 N O3 S -","- C24 H20 F16 N4 O12 S4 -","4","1","GG1153","Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.","<i>N</i>-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving <i>sp</i>^2^ nitrogen","Acta Crystallographica Section C","2003","59","4","m141","m143","10.1107/S0108270103001689","","","0.71073","MoKα","","","0.045","","","","0.149","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013286","7.616","0.002","11.843","0.003","14.924","0.003","90","","97.43","0.02","90","","1334.8","0.6","203","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate","","- C6 H9 F7 N3 O3 Sb -","- C6 H9 F7 N3 O3 Sb -","- C24 H36 F28 N12 O12 Sb4 -","4","1","GG1153","Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.; 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate","<i>N</i>-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving <i>sp</i>^2^ nitrogen","Acta Crystallographica Section C","2003","59","4","m141","m143","10.1107/S0108270103001689","","","0.71073","MoKα","","","0.034","","","","0.071","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013287","7.6194","0.0002","19.3531","0.0006","10.3668","0.0004","90","","107.905","0.001","90","","1454.64","0.08","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","perhydrate aluminium oxalate system","","","- C6 H4 Al K3 O15.75 -","- C6 H4 Al K3 O15.75 -","- C24 H16 Al4 K12 O63 -","4","1","GG1158","Chohan, Sunil; Pritchard, Robin G.","Tripotassium tris(oxalato-κ^2^<i>O</i>,<i>O</i>')aluminate bis(hydrogen peroxide) hydrate, the first example of a cyclic hydrogen-bonded H~2~O~2~ dimer","Acta Crystallographica Section C","2003","59","5","m187","m189","10.1107/S0108270103006905","","","0.71073","MoKα","","","0.0442","","","","0.0879","","","","","","1.092","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013288","10.3274","0.0008","9.6764","0.0007","12.3385","0.001","90","","95.88","0.002","90","","1226.52","0.16","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromo-[N,N-di(pyrid-2-yl)amine]-palladium(II)","","- C10 H9 Br2 N3 Pd -","- C10 H9 Br2 N3 Pd -","- C40 H36 Br8 N12 Pd4 -","4","1","GG1159","Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang","Dibromo(<i>N</i>,<i>N</i>'-di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section C","2003","59","4","m139","m140","10.1107/S0108270103004578","","","0.71073","MoKα","","0.0409","0.0324","","","0.0884","0.0933","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013289","17.7179","0.0013","11.2784","0.0008","18.4455","0.0013","90","","112.41","0.002","90","","3407.6","0.4","294","2","294","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^6^-p-cymene)[(η^2^-diphenylphosphino-tetrafluroborate-P,F) (η^1^-diphenylphosphinoyl-tetrafluroborate-O)]ruthenium(II)","","- C34 H34 B2 F8 O P2 Ru -","- C34 H34 B2 F8 O P2 Ru -","- C136 H136 B8 F32 O4 P8 Ru4 -","4","1","GG1160","Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang","An arene‒ruthenium(II) complex containing novel hybrid phosphinofluoro ligands","Acta Crystallographica Section C","2003","59","4","m156","m158","10.1107/S0108270103005808","","","0.71073","MoKα","","0.0494","0.0434","","","0.0949","0.0979","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013290","7.363","0.001","8.676","0.002","11.048","0.002","74.21","0.03","80.33","0.03","85.47","0.03","669.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dichloro tin phthalocyanine","dichloro(phthalocyaninato(2-))tin(IV)","","- C32 H16 Cl2 N8 Sn -","- C32 H16 Cl2 N8 Sn -","- C32 H16 Cl2 N8 Sn -","1","0.5","GG1161","Jan Janczak; Ryszard Kubiak","Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)","Acta Crystallographica Section C","2003","59","6","m237","m240","10.1107/S0108270103009417","","","0.71073","MoKα","","0.0359","0.0302","","","0.0767","0.0784","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013291","7.365","0.001","8.704","0.002","10.966","0.002","73.85","0.03","80.61","0.03","86.39","0.03","666.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dichlorphthalocyanine germanium","dichloro(phthalocyaninato(2-))germanium(IV)","","- C32 H16 Cl2 Ge N8 -","- C32 H16 Cl2 Ge N8 -","- C32 H16 Cl2 Ge N8 -","1","0.5","GG1161","Jan Janczak; Ryszard Kubiak","Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)","Acta Crystallographica Section C","2003","59","6","m237","m240","10.1107/S0108270103009417","","","0.71073","MoKα","","0.0866","0.0533","","","0.1315","0.1511","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013292","9.124","0.002","14.81","0.003","10.233","0.002","90","","98.5","0.03","90","","1367.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phthalocyanine germanium","dichloro(phthalocyaninato(2-))germanium(IV)","","- C32 H16 Cl2 Ge N8 -","- C32 H16 Cl2 Ge N8 -","- C64 H32 Cl4 Ge2 N16 -","2","0.5","GG1161","Jan Janczak; Ryszard Kubiak","Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)","Acta Crystallographica Section C","2003","59","6","m237","m240","10.1107/S0108270103009417","","","0.71073","MoKα","","0.0846","0.0436","","","0.0912","0.0976","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013293","15.6658","0.0002","18.1538","0.0003","17.2513","0.0003","90","","90.2397","0.0006","90","","4906.12","0.13","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl (2RS)-2,3-diphenyl-1,3-thiazolidine-5-spiro-2'-adamantane-4,4-dicarboxylate methanol solvate","","- C23.275 H32.1 N O4.275 S -","- C28.275 H32.1 N O4.275 S -","- C226.2 H256.8 N8 O34.2 S8 -","8","2","GG1163","Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz","1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones","Acta Crystallographica Section C","2003","59","5","o250","o253","10.1107/S0108270103006504","","","0.71073","MoKα","","0.0798","0.0453","","","0.0968","0.1103","","","","","","1.022","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013294","9.817","0.001","11.233","0.002","12.459","0.002","102.53","0.01","97.91","0.01","98.52","0.01","1305.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl (4RS)-3,4-diphenyl-1,3-thiazolidine-5-spiro-9'-[9H]fluorene-2,2-dicarboxylate","","- C31 H25 N O4 S -","- C31 H25 N O4 S -","- C62 H50 N2 O8 S2 -","2","1","GG1163","Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz","1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones","Acta Crystallographica Section C","2003","59","5","o250","o253","10.1107/S0108270103006504","","","0.71073","MoKα","","0.0602","0.0362","","","0.1169","0.121","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013295","10.5939","0.0003","11.7359","0.0003","16.9528","0.0004","90","","101.666","0.001","90","","2064.18","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jb72","[Tetraethylammonium][7-dimethylsulphide-nido-dodecahydroundecaborate]","","- C10 H38 B11 N S -","- C10 H38 B11 N S -","- C40 H152 B44 N4 S4 -","4","1","GG1164","Bould, Jonathan; Kivekäs, Raikko; Sillanpää, Reijo; Teixidor, Francesc; Viñas, Clara","[Et~4~N][7-Me~2~S-<i>nido</i>-B~11~H~12~]","Acta Crystallographica Section C","2003","59","5","o271","o273","10.1107/S010827010300698X","","","0.71073","MoKα","","0.0631","0.0416","","","0.0875","0.0962","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013296","19.917","0.003","19.917","0.003","15.608","0.003","90","","90","","120","","5362","1.5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis(borato)dodeca(tert-butoxo)octadecalithium","","- C48 H108 B2 Li18 O18 -","- C48 H108 B2 Li18 O18 -","- C144 H324 B6 Li54 O54 -","3","0.166667","GG1167","Tombul, Mustafa; Errington, R. John; Coxall, Robert A.; Clegg, William","An alkoxide cluster with 18 Li^+^ ions encapsulating two borate anions, [(^<i>t^</i>BuO)~12~Li~18~(BO~3~)~2~]","Acta Crystallographica Section C","2003","59","6","m231","m233","10.1107/S0108270103009636","","","0.71073","MoKα","","0.1519","0.0782","","","0.1256","0.1526","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013297","7.377","0.001","7.424","0.001","8.934","0.001","80.07","0.01","80.97","0.01","76.15","0.01","464.51","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Pyromellitic acid‒dimethyl sulfoxide (1/2)","","- C14 H18 O10 S2 -","- C14 H18 O10 S2 -","- C14 H18 O10 S2 -","1","0.5","JZ1542","Zhi Min Jin; Yuan Jian Pan; Liang Shen; Mei Chao Li; Mao Lin Hu","Ribbons of hydrogen-bonded rings in the 1:2 complex of pyromellitic acid and dimethyl sulfoxide","Acta Crystallographica Section C","2003","59","4","o205","o206","10.1107/S0108270103004530","","","0.71073","MoKα","","0.037","0.0319","","","0.0838","0.0858","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013298","6.5261","0.0008","7.0683","0.0009","18.417","0.002","90","","90.418","0.01","90","","849.52","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","copper acetylenedicarboxylate tetrahydrate","catena-poly[[[triaquacopper(II)]-μ-acetylenedicarboxylato-κ^2^O:O''] hydrate]","","- C4 H8 Cu O8 -","- C4 H8 Cu O8 -","- C16 H32 Cu4 O32 -","4","1","JZ1547","Billetter, Heinrich; Hohn, Frauke; Pantenburg, Ingo; Ruschewitz, Uwe","[Cu{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first copper complex of acetylenedicarboxylic acid","Acta Crystallographica Section C","2003","59","4","m130","m131","10.1107/S0108270103003469","","","0.71073","MoKα","","0.0481","0.0288","","","0.0644","0.0692","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013299","8.682","0.002","7.8835","0.0016","8.998","0.003","90","","118.088","0.018","90","","543.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C18 H28 N8 O8 -","2","1","JZ1548","Seela, Frank; He, Yang; Eickmeier, Henning","5-Methyl-6-aza-2'-deoxyisocytidine","Acta Crystallographica Section C","2003","59","4","o194","o196","10.1107/S0108270103004827","","","0.71073","MoKα","","0.037","0.0363","","","0.1037","0.1051","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013300","13.7073","0.0008","16.578","0.0009","20.0237","0.0011","68.135","0.001","82.695","0.001","73.925","0.001","4056.3","0.4","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H66 B8 Cl16 O5 -","- C67 H62 B8 Cl12 O5 -","- C134 H124 B16 Cl24 O10 -","2","1","JZ1549","Bayer, Michael J.; Pritzkow, Hans; Siebert, Walter","A `tetrameric' 3,4-di-<i>p</i>-tolyl-1,2,5-oxadiborole derivative","Acta Crystallographica Section C","2003","59","5","o257","o258","10.1107/S0108270103004542","","","0.71073","MoKα","","0.0897","0.0628","","","0.1936","0.2143","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013301","15.526","0.004","3.6482","0.0009","25.797","0.006","90","","92.519","0.006","90","","1459.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(cyanoguanidine)silver(I) nitrate cyanoguanidine","","- C6 H12 Ag N13 O3 -","- C6 H12 Ag N13 O3 -","- C24 H48 Ag4 N52 O12 -","4","1","JZ1551","Dronskowski, Richard; Liu, Xiaohui","Bis(cyanoguanidine)silver(I) nitrate‒cyanoguanidine (1/1)","Acta Crystallographica Section C","2003","59","6","m243","m245","10.1107/S0108270103008357","","","0.71073","MoKα","","0.1398","0.0646","","","0.1577","0.2061","","","","","","0.871","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013302","8.123","0.002","8.123","0.002","23.502","0.006","90","","90","","90","","1550.7","0.7","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","2-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.048","0.044","","","0.098","0.1","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013303","5.3537","0.0013","11.654","0.003","11.99","0.003","90","","98.1","0.01","90","","740.6","0.3","174","2","174","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.069","0.044","","","0.104","0.114","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013304","7.402","0.002","11.48","0.003","17.705","0.004","90","","96.23","0.01","90","","1495.6","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.096","0.047","","","0.103","0.118","","","","","","0.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013305","15.139","0.004","5.4945","0.0014","18.736","0.005","90","","103.76","0.01","90","","1513.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.079","0.047","","","","0.098","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013306","5.1519","0.0013","19.739","0.005","14.694","0.004","90","","95.26","0.01","90","","1488","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.098","0.058","","","0.1","0.111","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013307","7.522","0.002","20.367","0.003","11.264","0.002","90","","103.76","0.02","90","","1676.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(2-benzimidazolyl) pyridine, hydrate","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","KB1001","Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","Two hydrates of 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine","Acta Crystallographica Section C","2003","59","5","o259","o262","10.1107/S0108270103006668","","","0.71073","MoKα","","0.0873","0.0481","","","0.1037","0.1191","","","","","","0.911","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013308","18.813","0.002","18.417","0.002","10.322","0.002","90","","104.81","0.02","90","","3457.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(2-benzimidazolyl) pyridine, 1.5 hydrate","","- C19 H16 N5 O1.5 -","- C19 H16 N5 O1.5 -","- C152 H128 N40 O12 -","8","2","KB1001","Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","Two hydrates of 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine","Acta Crystallographica Section C","2003","59","5","o259","o262","10.1107/S0108270103006668","","","0.71073","MoKα","","0.1309","0.046","","","0.0677","0.087","","","","","","0.881","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013309","10.801","0.002","10.609","0.002","10.774","0.002","90","","119.6","0.03","90","","1073.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-propanediammonium tetrathiotungstate","1,3-propanediammonium tetrathiotungstate","","- C3 H12 N2 S4 W -","- C3 H12 N2 S4 W -","- C12 H48 N8 S16 W4 -","4","1","LN1158","Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang","1,3-Propanediammonium tetrathiotungstate and <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium tetrathiotungstate","Acta Crystallographica Section C","2003","59","4","m124","m127","10.1107/S0108270103002543","","","0.71073","MoKα","","0.0352","0.0237","","","0.0582","0.0611","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013310","8.5916","0.0011","12.3365","0.001","13.3799","0.0009","90","","101.113","0.008","90","","1391.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate","N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate","","- C6 H18 N2 S4 W -","- C6 H18 N2 S4 W -","- C24 H72 N8 S16 W4 -","4","1","LN1158","Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang","1,3-Propanediammonium tetrathiotungstate and <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium tetrathiotungstate","Acta Crystallographica Section C","2003","59","4","m124","m127","10.1107/S0108270103002543","","","0.71073","MoKα","","0.0451","0.0272","","","0.0655","0.0693","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013311","13.719","0.002","20.817","0.003","17.39","0.002","90","","94.132","0.011","90","","4953.5","1.2","296","2","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H39 F6 Mn N4 O3 P Sb -","- C56 H39 F6 Mn N4 O3 P Sb -","- C224 H156 F24 Mn4 N16 O12 P4 Sb4 -","4","1","LN1160","Munro, Orde Q.; Camp, Greville L.","The first phosphite complex of a metalloporphyrin","Acta Crystallographica Section C","2003","59","4","m132","m135","10.1107/S0108270103004384","","","0.71073","MoKα","","","0.0589","","","","0.2017","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013312","10.7908","0.001","12.8626","0.001","6.8482","0.001","90","","97.932","0.012","90","","941.42","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hexaaquanickel diorotate(1-) dihydrate","hexaaquanickel bis(2,4-dihydroxypyrimidine-6-carboxylate) dihydrate","","- C10 H22 N4 Ni O16 -","- C10 H22 N4 Ni O16 -","- C20 H44 N8 Ni2 O32 -","2","0.5","LN1162","Larry R. Falvello; Daniel Ferrer; Tatiana Soler; Milagros Tomás","Hexaaquanickel diorotate(1‒) dihydrate at 150K","Acta Crystallographica Section C","2003","59","4","m149","m151","10.1107/S0108270103004773","","","0.71073","MoKα","","0.0752","0.0472","","","0.1057","0.1188","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013313","7.4958","0.0006","7.1942","0.0006","20.7522","0.0018","90","","90","","90","","1119.09","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","palladium-ethylxanthate","bis(O-ethyl dithiocarbonato)palladium(II)","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","LN1165","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib","Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section C","2003","59","5","m199","m200","10.1107/S0108270103007406","","","0.71073","MoKα","","0.0384","0.0257","","","0.0545","0.0569","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013314","7.17","0.002","8.965","0.002","10.827","0.002","76.35","0.02","74.38","0.02","69.86","0.02","621.3","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Co N2 O10 -","- C22 H28 Co N2 O10 -","- C22 H28 Co N2 O10 -","1","0.5","LN1166","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate","Acta Crystallographica Section C","2003","59","6","m228","m230","10.1107/S0108270103008722","","","0.7107","MoKα","","","0.0463","","","","0.1291","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013315","7.127","0.002","8.909","0.003","10.769","0.002","76.74","0.02","74.39","0.01","70.66","0.02","613.9","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N2 Ni O10 -","- C22 H28 N2 Ni O10 -","- C22 H28 N2 Ni O10 -","1","0.5","LN1166","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate","Acta Crystallographica Section C","2003","59","6","m228","m230","10.1107/S0108270103008722","","","0.7107","MoKα","","","0.0378","","","","0.1111","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013316","13.236","0.001","10.799","0.004","21.775","0.004","90","","91.393","0.003","90","","3111.5","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(6-chloroflavanone-3-yloxy)-o-xylene","3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloro-2-phenylflavanone)","","- C38 H24 Cl2 O6 -","- C38 H24 Cl2 O6 -","- C152 H96 Cl8 O24 -","4","0.5","NA1583","Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S.","3,3'-[<i>o</i>-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4<i>H</i>-1-benzopyran-4-one]","Acta Crystallographica Section C","2003","59","4","o181","o183","10.1107/S0108270103002361","","","0.71073","MoKα","","0.1929","0.0538","","","0.1507","0.2298","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013317","15.0485","0.0002","7.6144","0.0001","20.789","0.0002","90","","100.784","0.001","90","","2340.04","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(6-chloro-2-furyl-4-chromanone-3-yloxy)propane","3,3'-Propylenedioxybis[6-chloro-2-(2-furyl)flavanone]","","- C29 H18 Cl2 O8 -","- C29 H18 Cl2 O8 -","- C116 H72 Cl8 O32 -","4","1","NA1583","Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S.","3,3'-[<i>o</i>-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4<i>H</i>-1-benzopyran-4-one]","Acta Crystallographica Section C","2003","59","4","o181","o183","10.1107/S0108270103002361","","","0.71073","MoKα","","0.089","0.054","","","0.138","0.1525","","","","","","0.924","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013318","13.982","0.007","8.922","0.005","16.533","0.008","90","","92.976","0.008","90","","2059.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propanoate","","- C19 H19 I2 N O3 -","- C19 H19 I2 N O3 -","- C76 H76 I8 N4 O12 -","4","1","NA1593","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate","Acta Crystallographica Section C","2003","59","4","o216","o218","10.1107/S0108270103005183","","","0.71073","MoKα","","0.0681","0.0555","","","0.1495","0.1603","","","","","","1.009","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013319","11.38","0.003","14.867","0.003","12.525","0.003","90","","110.431","0.004","90","","1985.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-formamido-2-(3-bromobenzyl)-3-(3-bromophenyl)propanoate","","- C19 H19 Br2 N O3 -","- C19 H19 Br2 N O3 -","- C76 H76 Br8 N4 O12 -","4","1","NA1593","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate","Acta Crystallographica Section C","2003","59","4","o216","o218","10.1107/S0108270103005183","","","0.71073","MoKα","","0.1132","0.0512","","","0.1314","0.1465","","","","","","0.877","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2013320","16.6025","0.0006","8.1908","0.0002","12.6432","0.0005","90","","92.303","0.001","90","","1717.93","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[2-Hydroxy-4-methoxyphenyl]-3-(2',3',4'-trimethoxyphenyl) prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","NA1595","A. Subbiah Pandi; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; M. C. Bansal","1-(2-Hydroxy-4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section C","2003","59","6","o302","o304","10.1107/S0108270103008679","","","0.71073","MoKα","","0.1115","0.0575","","","0.1291","0.1481","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013321","11.587","0.004","12.676","0.003","13.352","0.003","81.54","0.02","72.71","0.02","68.29","0.02","1738.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorotetrakis(3-phenylpyrazole-κN^2^)copper(II)","","- C36 H32 Cl2 Cu N8 -","- C36 H32 Cl2 Cu N8 -","- C72 H64 Cl4 Cu2 N16 -","2","1","NA1596","Małecka, Magdalena; Chęcińska, Lilianna","Dichlorotetrakis(3-phenylpyrazole-κ<i>N</i>^2^)copper(II)","Acta Crystallographica Section C","2003","59","4","m115","m117","10.1107/S0108270103003391","","","1.54178","CuKα","","0.0557","0.0467","","","0.1487","0.1518","","","","","","1.144","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013322","10.1364","0.0005","10.9403","0.0005","27.7309","0.001","90","","97.917","0.003","90","","3045.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Dihydroxy-1,3-bis(methoxycarbonylethoxy)calix[4]arene","diethyl 2,4-dihydroxycalix[4]arene-1,3-diyldi(oxyacetate)","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","1","NA1598","Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan","Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene","Acta Crystallographica Section C","2003","59","4","o221","o224","10.1107/S0108270103005298","","","0.71073","MoKα","","0.0696","0.0508","","","0.1341","0.1462","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013323","12.0173","0.0008","12.0173","0.0008","7.6972","0.0005","90","","90","","90","","1111.59","0.13","150","2","150","2","","","","","","","","3","P -4","P -4","81","1,2,3,4-tetrakis(methoxycarbonylethoxy)calix[4]arene","tetraethyl calix[4]arene-1,2,3,4-tetrayltetra(oxyacetate)","","- C44 H48 O12 -","- C44 H48 O12 -","- C44 H48 O12 -","1","0.25","NA1598","Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan","Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene","Acta Crystallographica Section C","2003","59","4","o221","o224","10.1107/S0108270103005298","","","0.71073","MoKα","","0.0749","0.0647","","","0.1812","0.1924","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013324","10.391","0.002","10.391","0.002","10.391","0.002","90","","90","","90","","1121.9","0.4","293","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 O12 Rb2 S3 -","- Cd2 O12 Rb2 S3 -","- Cd8 O48 Rb8 S12 -","4","0.333333","NA1599","Guelylah, Abderrahim; Madariaga, Gotzon","Dirubidium dicadmium sulfate at 293K","Acta Crystallographica Section C","2003","59","5","i32","i34","10.1107/S0108270103007479","","","0.71073","MoKα","","0.0285","0.0247","","","0.0516","0.0544","","","","","","2.79","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013325","8.448","0.001","19.938","0.001","6.428","0.001","90","","90","","90","","1082.7","0.2","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","austdiol","(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro- 6H-isochromene-5-carbaldehyde","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","NA1600","Lo Presti, Leonardo; Soave, Raffaella; Destro, Riccardo","The fungal metabolite austdiol","Acta Crystallographica Section C","2003","59","4","o199","o201","10.1107/S0108270103005031","","","0.71073","MoKα","","0.0431","0.0356","","","0.0962","0.1021","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013326","9.9208","0.0016","10.7754","0.0019","11.4933","0.0017","90","","106.439","0.011","90","","1178.4","0.3","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 N O7 P2 -","- C7 H17 N O7 P2 -","- C28 H68 N4 O28 P8 -","4","1","NA1602","Fernández, Daniel; Vega, Daniel","Head-to-head dimers in the zwitterion of 1-hydroxy-3-(pyrrolidin-1-yl)propylidene-1,1-bisphosphonic acid (EB 1053)","Acta Crystallographica Section C","2003","59","5","o228","o230","10.1107/S0108270103006085","","","0.71073","MoKα","","","0.037","","","","0.1029","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013327","8.254","0.0009","8.9037","0.001","9.069","0.001","106.875","0.002","98.782","0.002","90.897","0.002","629.05","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","meso-Bis(phenylsulfinyl)methane","","- C13 H12 O2 S2 -","- C13 H12 O2 S2 -","- C26 H24 O4 S4 -","2","1","NA1603","S. Kannan; Anwar Usman; Hoong-Kun Fun","<i>meso</i>-Bis(phenylsulfinyl)methane","Acta Crystallographica Section C","2003","59","5","o268","o270","10.1107/S0108270103006991","","","0.71073","MoKα","","0.0469","0.0378","","","0.0892","0.0936","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013328","11.666","0.003","12.937","0.005","5.714","0.003","90","","90","","90","","862.4","0.6","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H11 N O6 P2 -","- C3 H11 N O6 P2 -","- C12 H44 N4 O24 P8 -","4","1","NA1606","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound","Acta Crystallographica Section C","2003","59","6","o289","o292","10.1107/S0108270103007649","","","0.71073","MoKα","","","0.0486","","","","0.1185","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013329","11.888","0.0003","12.4715","0.0004","7.9403","0.0002","90","","95.4986","0.0013","90","","1171.82","0.06","120","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 N O9 P2 -","- C5 H17 N O9 P2 -","- C20 H68 N4 O36 P8 -","4","1","NA1606","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound","Acta Crystallographica Section C","2003","59","6","o289","o292","10.1107/S0108270103007649","","","0.71073","MoKα","","","0.0427","","","","0.1128","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013330","19.839","0.0012","10.495","0.0006","18.013","0.001","90","","95.016","0.001","90","","3736.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Diphenylanthracene endoperoxide (I)","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","2","NA1608","Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu","9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol","Acta Crystallographica Section C","2003","59","6","o308","o310","10.1107/S0108270103007625","","","0.71073","MoKα","","0.1519","0.091","","","0.1912","0.2183","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013331","8.9181","0.001","11.3071","0.0012","17.0624","0.0019","90","","90.552","0.002","90","","1720.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Dihydro-9,9-dimethoxy-10-hydroxy-10-phenylanthracene","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","NA1608","Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu","9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol","Acta Crystallographica Section C","2003","59","6","o308","o310","10.1107/S0108270103007625","","","0.71073","MoKα","","0.0769","0.0601","","","0.1254","0.1326","","","","","","1.133","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013332","8.134","0.003","22.802","0.002","7.744","0.002","90","","90","","90","","1436.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,3S,6S)-[6-tert-butyl-1-hydroxymethyl-5-methyoxy-6-methyl-7-oxa-8-oxo -4-aza-spiro[2.5]oct-4-en-8-one","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C52 H84 N4 O16 -","4","1","NA1611","Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta","(1<i>R</i>,3<i>S</i>,6<i>S</i>)-6-<i>tert</i>-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1<i>S</i>,1'<i>R</i>,3'<i>S</i>,6'<i>S</i>)-(6'-<i>tert</i>-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate","Acta Crystallographica Section C","2003","59","6","o317","o320","10.1107/S0108270103008564","","","1.54178","CuKα","","0.0625","0.0524","","","0.159","0.1626","","","","","","1.024","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013333","6.894","0.001","9.423","0.001","14.428","0.002","90","","93.266","0.01","90","","935.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","dimethyl (1R,1'R,3'S,6'S)-[6'-tert-butyl-5'-methyoxy-6'-methyl-7'-oxa-8'-oxo- 4'-aza-spiro[2.5] oct-4'-en-1'-yl)hydroxymethylphosphonate","","- C15 H26 N O7 P -","- C15 H26 N O7 P -","- C30 H52 N2 O14 P2 -","2","1","NA1611","Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta","(1<i>R</i>,3<i>S</i>,6<i>S</i>)-6-<i>tert</i>-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1<i>S</i>,1'<i>R</i>,3'<i>S</i>,6'<i>S</i>)-(6'-<i>tert</i>-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate","Acta Crystallographica Section C","2003","59","6","o317","o320","10.1107/S0108270103008564","","","1.54178","CuKα","","0.0395","0.0354","","","0.0996","0.1015","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013334","10.8569","0.0006","12.4129","0.0006","12.9849","0.0006","90","","97.386","0.001","90","","1735.4","0.15","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Acetyl-2a'-phenyl-4'-ethylspiro[indole-3,2'-[2a'H,5a'H]oxeto[5,4-b]oxazol]- 2(1H)-one","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","NA1612","Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu","1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one","Acta Crystallographica Section C","2003","59","6","o305","o307","10.1107/S0108270103008680","","","0.71073","MoKα","","0.0622","0.0491","","","0.1276","0.142","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013335","12.7908","0.001","8.7717","0.0007","17.8346","0.0013","90","","94.515","0.002","90","","1994.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Acetyl-4',5a'-diphenylspiro[indole-3,2'-(2'H,5'H)oxeto[5,4-b]oxazol]-2(1H)- one","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C100 H72 N8 O16 -","4","1","NA1612","Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu","1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one","Acta Crystallographica Section C","2003","59","6","o305","o307","10.1107/S0108270103008680","","","0.71073","MoKα","","0.0824","0.066","","","0.1275","0.1337","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013336","26.533","0.005","12.297","0.002","13.079","0.003","90","","110","0.03","90","","4010","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(melaminium) DL-malate tetrahydrate'","Bis(1,3,5-triamine-2,4,6-trianine-1-ium) DL-malate tetrahydrate","","- C10 H26 N12 O9 -","- C10 H26 N12 O9 -","- C80 H208 N96 O72 -","8","1","NA1613","Jan Janczak; Genivaldo Julio Perpétuo","Bis(melaminium) <small>DL</small>-malate tetrahydrate","Acta Crystallographica Section C","2003","59","6","o349","o352","10.1107/S0108270103010047","","","0.71073","MoKα","","0.0483","0.0404","","","0.0324","0.041","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013337","19.61","0.05","17.35","0.002","16.832","0.002","90","","90","","90","","5727","15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[N,N'-diisopropyl-N-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","","- C34 H62 Cl14 N4 Si2 Zr2 -","- C34 H62 Cl14 N4 Si2 Zr2 -","- C136 H248 Cl56 N16 Si8 Zr8 -","4","0.5","NA1614","Roberto Centore; Angela Tuzi; Dario Liguori","Bis[<i>N</i>,<i>N</i>'-diisopropyl-<i>N</i>-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","Acta Crystallographica Section C","2003","59","6","m241","m242","10.1107/S0108270103010035","","","0.71069","MoKα","","0.1123","0.0491","","","0.1208","0.1469","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013338","11.4372","0.0004","7.8901","0.0003","21.1268","0.0009","90","","97.896","0.002","90","","1888.42","0.13","120","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","2","OB1096","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","17α,21-Dihydroxy-16β-methylpregna-1,4-diene-3,11,20-trione (meprednisone)","Acta Crystallographica Section C","2003","59","4","o187","o189","10.1107/S0108270103003184","","","0.71073","MoKα","","0.0666","0.0437","","","0.0864","0.0994","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013339","11.513","0.002","10.711","0.002","13.998","0.002","90","","114.1","0.01","90","","1575.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-(1,2-Ethanediyldithio)bis(1,3-benzothiazole)","","- C16 H12 N2 S4 -","- C16 H12 N2 S4 -","- C64 H48 N8 S16 -","4","1","OB1097","Liu, Qingjian; Shi, Daqing; Ma, Chuanli; Pan, Fengmei; Qu, Rongjun; Yu, Kaibei; Xu, Jianhua","2,2'-(1,2-Ethanediyldithio)bis(1,3-benzothiazole)","Acta Crystallographica Section C","2003","59","4","o219","o220","10.1107/S0108270103002257","","","0.71073","MoKα","","0.044","0.03","","","0.077","0.08","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013340","13.276","0.001","13.276","0.001","18.959","0.001","90","","90","","90","","3341.6","0.4","293","2","293","2","","","","","","","","7","I -4","I -4","82","","Octaguanidinium α-silicodiplatinodecatungstate hexahydrate","","- C8 H60 N24 O46 Pt2 Si W10 -","- C8 H48 N24 O46 Pt2.04 Si W9.96 -","- C16 H96 N48 O92 Pt4.08 Si2 W19.92 -","2","0.25","OB1100","Lee, Uk; Joo, Hea-Chung; Park, Ki-Min; Ozeki, Tomoji","Synchrotron structure determination of an α-Keggin doubly Pt^IV^-substituted silicotungstate, (CH~6~N~3~)~8~[α-SiPt~2~W~10~O~40~]·6H~2~O","Acta Crystallographica Section C","2003","59","4","m152","m155","10.1107/S0108270103004517","","","0.3282","synchrotron","","0.0294","0.0293","","","0.0679","0.0679","","","","","","1.259","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013341","12.6034","0.0007","12.6075","0.0007","53.536","0.003","90","","90","","90","","8506.7","0.8","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs1","cis,cis-Ceratospongamide, N,N-dimethylacetamide hemisolvate cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-)","","- C43 H53.5 N7.5 O6.5 S -","- C43 H53.5 N7.5 O6.5 S -","- C344 H428 N60 O52 S8 -","8","2","OB1101","Mitsunobu Doi; Akiko Asano; Kenji Yoza","<i>cis</i>,<i>cis</i>-Ceratospongamide <i>N</i>,<i>N</i>-dimethylacetamide hemisolvate in the presence of twinning","Acta Crystallographica Section C","2003","59","6","o323","o325","10.1107/S010827010300369X","","","0.71073","MoKα","","0.0504","0.0502","","","0.1266","0.1267","","","","","","1.155","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013342","7.878","0.003","8.818","0.004","30.721","0.002","90","","90.8","0.02","90","","2133.9","1.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Fe O9 -","- C21 H21 Fe O9 -","- C84 H84 Fe4 O36 -","4","1","OB1104","Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo","<i>fac</i>-Tris(2-ethyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)iron(III) and its aluminium(III) analog","Acta Crystallographica Section C","2003","59","4","m121","m123","10.1107/S0108270103004074","","","0.7107","MoKα","","","0.0422","","","","0.1353","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013343","7.897","0.004","8.696","0.009","30.801","0.004","90","","91.4","0.03","90","","2115","2","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Al O9 -","- C21 H21 Al O9 -","- C84 H84 Al4 O36 -","4","1","OB1104","Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo","<i>fac</i>-Tris(2-ethyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)iron(III) and its aluminium(III) analog","Acta Crystallographica Section C","2003","59","4","m121","m123","10.1107/S0108270103004074","","","0.7107","MoKα","","","0.0643","","","","0.2281","","","","","","0.941","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013344","14.7427","0.0004","14.7427","0.0004","22.0412","0.0006","90","","90","","90","","4790.6","0.2","296.2","","","","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Au F20 N S4 -","- C40 H36 Au F20 N S4 -","- C160 H144 Au4 F80 N4 S16 -","4","0.25","OB1105","Seiji Watase; Takayuki Kitamura; Nobuko Kanehisa; Masami Nakamoto; Yasushi Kai; Shozo Yanagida","Tetra-<i>n</i>-butylammonium tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)aurate(III)","Acta Crystallographica Section C","2003","59","5","m162","m164","10.1107/S0108270103005961","","","0.7107","MoKα","","","0.0365","","","","0.0434","","","","","","1.048","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013345","18.418","0.004","9.821","0.002","9.502","0.0019","90","","96.64","0.03","90","","1707.2","0.6","295","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(3-Chlorophenyl)diazenyl]-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C17 H18 Cl N3 O4 -","- C17 H18 Cl N3 O4 -","- C68 H72 Cl4 N12 O16 -","4","1","OB1106","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Goesmann, Helmut","4-[(3-Chlorophenyl)diazenyl]-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2003","59","5","o234","o236","10.1107/S0108270103006292","","","0.71073","MoKα","","0.0552","0.0369","","","0.0915","0.1035","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013346","7.563","0.003","29.885","0.003","8.2254","0.0009","90","","90","","90","","1859.1","0.8","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-poly[tetraaquabis(thiosalicylate)barium(II)]","","- C14 H18 Ba O8 S2 -","- C14 H18 Ba O8 S2 -","- C56 H72 Ba4 O32 S8 -","4","0.5","OB1109","Lee, Bo-Hyung; Kim, Chong-Hyeak; Lee, Sueg-Geun","A one-dimensional coordination polymer with metal‒metal interactions: <i>catena</i>-poly[[triaquabarium(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-thiosalicylato-κ^4^<i>O</i>:<i>O</i>]","Acta Crystallographica Section C","2003","59","5","m196","m198","10.1107/S010827010300667X","","","0.71073","MoKα","","0.0418","0.0369","","","0.1042","0.1125","","","","","","1.129","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2013347","15.163","0.004","13.639","0.003","3.95","0.001","90","","92.39","0.02","90","","816.2","0.3","278.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 Cl4 -","- C18 H12 Cl4 -","- C36 H24 Cl8 -","2","0.5","OB1110","Yoriko Sonoda; Yuji Kawanishi; Midori Goto","(<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene","Acta Crystallographica Section C","2003","59","6","o311","o313","10.1107/S0108270103008370","","","0.7107","MoKα","","","0.0406","","","","0.1094","","","","","","1.502","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013348","13.0487","0.0003","5.9574","0.0001","14.0254","0.0003","90","","109.078","0.001","90","","1030.4","0.04","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis(thiosemicarbazido-κ^2^N,S)nickel(II) dimaleate dihydrate","","- C10 H24 N6 Ni O12 S2 -","- C10 H24 N6 Ni O12 S2 -","- C20 H48 N12 Ni2 O24 S4 -","2","0.5","OB1111","Sheng-Li Li; Anwar Usman; Ibrahim A. Razak; Hoong-Kun Fun; Jie-Ying Wu; Yu-Peng Tian; Min-Hua Jiang; Zu-Yao Chen","<i>trans</i>-Diaquabis(thiosemicarbazido-κ^2^<i>N</i>,<i>S</i>)nickel(II) dimaleate dihydrate","Acta Crystallographica Section C","2003","59","5","m181","m183","10.1107/S0108270103006425","","","0.71073","MoKα","","0.0532","0.0462","","","0.1074","0.1103","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013349","11.1794","0.0017","10.072","0.0016","19.591","0.003","90","","94.317","0.003","90","","2199.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-N-Methyl-t-3-isopropyl-r-2,c-6-diphenylpiperidone Thiosemicarbazone","","- C22 H28 N4 S -","- C22 H28 N4 S -","- C88 H112 N16 S4 -","4","1","OB1115","N. Sampath; S. M. Malathy Sony; M. N. Ponnuswamy; M. Nethaji","<i>t</i>-3-Isopropyl-1-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one thiosemicarbazone","Acta Crystallographica Section C","2003","59","6","o346","o348","10.1107/S010827010300917X","","","0.71073","MoKα","","0.0969","0.0636","","","0.1388","0.1536","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013350","6.8755","0.0007","14.5505","0.0002","7.852","0.0001","90","","96.898","0.006","90","","779.84","0.08","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N3 -","- C9 H7 N3 -","- C36 H28 N12 -","4","1","OB1116","Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta","2-Allenyl-2<i>H</i>-benzotriazole","Acta Crystallographica Section C","2003","59","6","o338","o339","10.1107/S0108270103007273","","","0.7107","MoKα","","","0.051","","","","0.087","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013351","9.221","0.002","14.457","0.002","19.897","0.002","76.39","0.01","84.2","0.01","88.06","0.01","2564.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-[N,N-bis(2-cyanoethyl)amino]pyridine silver(I) perchlorate","","- C22 H24 Ag Cl N8 O4 -","- C22 H24 Ag Cl N8 O4 -","- C88 H96 Ag4 Cl4 N32 O16 -","4","2","OB1118","Ni Jun; Li, Yi-Zhi; Xue Zheng; Chen, Hui-Lan; Wang, Zhi-Lin","Bis{4-[<i>N</i>,<i>N</i>-bis(2-cyanoethyl)amino]pyridine-κ<i>N</i>^1^}silver(I) perchlorate, with the perchlorate anion located in the cation cavity","Acta Crystallographica Section C","2003","59","6","m201","m203","10.1107/S0108270103007613","","","0.71073","MoKα","","0.0667","0.0439","","","0.098","0.103","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013352","6.0261","0.0005","12.0503","0.001","12.312","0.001","90","","100.274","0.001","90","","879.72","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-aminopyridine-κN^1^)(benzoato-κO)silver(I)","","- C17 H17 Ag N4 O2 -","- C17 H17 Ag N4 O2 -","- C34 H34 Ag2 N8 O4 -","2","1","OB1119","Hai-Liang Zhu; Anwar Usman; Hoong-Kun Fun; Xian-Jiang Wang","Bis(2-aminopyridine-κ<i>N</i>^1^)(benzoato-κ<i>O</i>)silver(I)","Acta Crystallographica Section C","2003","59","6","m218","m220","10.1107/S0108270103008916","","","0.71073","MoKα","","0.0397","0.0337","","","0.0831","0.0866","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013353","11.144","0.002","13.047","0.003","18.429","0.004","90","","98.19","0.03","90","","2652.2","1","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L^4^ is 3-[2,6-bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester","","- C24 H38 N4 O6 -","- C24 H38 N4 O6 -","- C96 H152 N16 O24 -","4","2","SK1603","Muller, Gilles; Schmidt, Boris; Jiřiček, Jan; Bünzli, Jean-Claude G.; Schenk, Kurt J.","3-[2,6-Bis(diethylcarbamoyl)pyridin-4-yl]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)alanine methyl ester: a chiral tridentate ligand that causes a diastereomeric excess of its lanthanide complexes in solution","Acta Crystallographica Section C","2003","59","6","o353","o356","10.1107/S0108270103006656","","","0.71073","MoKα","","0.0422","0.0354","","0.0576","","0.0573","","","","","","2.902","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013354","8.845","0.001","16.101","0.001","16.029","0.002","90","","103.97","0.01","90","","2215.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triphenylphosphine oxide-3-chlorobenzoic acid (1/1)","","- C25 H20 Cl O3 P -","- C25 H20 Cl O3 P -","- C100 H80 Cl4 O12 P4 -","4","1","SK1617","Al-Farhan, Khalid A.","Triphenylphosphine oxide‒3-chlorobenzoic acid (1/1)","Acta Crystallographica Section C","2003","59","4","o179","o180","10.1107/S0108270103003317","","","0.71073","MoKα","","0.05","0.043","","","0.11","0.118","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013355","11.6265","0.0013","14.5467","0.0009","10.0565","0.0011","90","","122.475","0.015","90","","1434.9","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","(N-carboxylatomethylaspartato)(ethylenediamine) cobalt(III) complex","[N-(Carboxylatomethyl)aspartato(3-)](ethylenediamine)cobalt(III) trihydrate","","- C8 H20 Co N3 O9 -","- C8 H20 Co N3 O9 -","- C32 H80 Co4 N12 O36 -","4","1","SK1619","Maderová, Jana; Marek, Jaromír; Pavelčík, František","[<i>N</i>-(Carboxylatomethyl)aspartato(3‒)](ethylenediamine)cobalt(III) trihydrate","Acta Crystallographica Section C","2003","59","5","m178","m180","10.1107/S0108270103006449","","","0.71073","MoKα","","0.022","0.0219","","","0.0573","0.0574","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013356","5.3026","0.0012","5.3026","0.0012","11.81","0.005","90","","90","","90","","332.07","0.18","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Ag O4 Tc -","- Ag O4 Tc -","- Ag4 O16 Tc4 -","4","0.25","SK1620","Sarsfield, Mark J.; Sutton, Andrew D.; Livens, Francis R.; May, Iain; Taylor, Robin J.","Raman spectroscopy of silver pertechnetate","Acta Crystallographica Section C","2003","59","6","i45","i46","10.1107/S0108270103006486","","","0.71073","MoKα","","0.0398","0.0391","","","0.0922","0.0926","","","","","","1.454","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013357","4.8448","0.0009","10.5043","0.0019","6.0634","0.0013","90","","90","","90","","308.57","0.1","293","2","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- In Li O4 Si -","- In Li O4 Si -","- In4 Li4 O16 Si4 -","4","0.5","","Redhammer, G. J.; Roth, G.","LiInSiO~4~: a new monovalent–trivalent olivine","Acta Crystallographica, Section C","2003","59","","i38","i40","10.1107/S0108270103006346","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2013358","3.8736","0.0003","3.8736","0.0003","12.72","0.007","90","","90","","90","","190.86","0.11","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","distrontium ruthenium titanium tetraoxide","","- O4 Ru0.93 Sr2 Ti0.07 -","- O4 Ru0.929 Sr2 Ti0.071 -","- O8 Ru1.858 Sr4 Ti0.142 -","2","0.0625","SK1623","Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava","Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~","Acta Crystallographica Section C","2003","59","5","i35","i37","10.1107/S0108270103006693","","","0.71073","MoKα","","0.0141","0.0141","","","0.0325","0.0325","","","","","","1.305","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013359","3.8767","0.0005","3.8767","0.0005","12.698","0.003","90","","90","","90","","190.84","0.06","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","distrontium ruthenium titanium tetraoxide","","- O4 Ru0.81 Sr2 Ti0.19 -","- O4 Ru0.81 Sr2 Ti0.19 -","- O8 Ru1.62 Sr4 Ti0.38 -","2","0.0625","SK1623","Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava","Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~","Acta Crystallographica Section C","2003","59","5","i35","i37","10.1107/S0108270103006693","","","0.71073","MoKα","","0.0195","0.0193","","","0.0446","0.0447","","","","","","1.41","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013360","5.6959","0.0007","30.061","0.003","7.2017","0.0008","90","","99.526","0.002","90","","1216.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis-(4-iodophenylaminomethyl)-azoxybenzene","","- C26 H22 I2 N4 O -","- C26 H22 I2 N4 O -","- C52 H44 I4 N8 O2 -","2","0.5","SK1624","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4,4'-Bis(4-iodophenylaminomethyl)azoxybenzene: hydrogen-bonded sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2003","59","4","o207","o209","10.1107/S0108270103005511","","","0.71073","MoKα","","0.0909","0.065","","","0.1434","0.1555","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013361","13.5867","0.0006","7.8621","0.0002","13.9932","0.0006","90","","90","","90","","1494.75","0.1","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-2,6-dimethoxypyrimidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C48 H72 N24 O16 -","8","1","SK1625","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(28) rings, reinforced by an aromatic π‒π-stacking interaction","Acta Crystallographica Section C","2003","59","4","o202","o204","10.1107/S010827010300547X","","","0.71073","MoKα","","0.0945","0.047","","","0.1094","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013362","19.4182","0.001","6.942","0.001","9.0534","0.001","90","","90","","90","","1220.4","0.2","120","2","120","0.2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H13 N5 O6 -","- C10 H13 N5 O6 -","- C40 H52 N20 O24 -","4","1","SK1626","Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-glutamic acid: a three-dimensional framework structure built from O—H···O, N—H···O and O—H···N hydrogen bonds","Acta Crystallographica Section C","2003","59","4","o210","o212","10.1107/S0108270103005754","","","0.71073","MoKα","","0.1357","0.0566","","","0.1235","0.1527","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013363","12.677","0.003","16.058","0.003","16.085","0.003","110.32","0.03","93.16","0.03","96.36","0.03","3036.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 P4 Ru Si2 -","- C66 H66 P4 Ru Si2 -","- C132 H132 P8 Ru2 Si4 -","2","1","SK1628","Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B.","<i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(buta-1,3-diynyl)ruthenium(II)","Acta Crystallographica Section C","2003","59","6","m215","m217","10.1107/S0108270103007716","","","0.71073","MoKα","","","0.046","","","","0.1216","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013364","11.9017","0.0002","13.2669","0.0003","17.1934","0.0004","79.416","0.001","76.195","0.001","64.499","0.002","2369.38","0.09","120","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 P4 Ru -","- C60 H50 P4 Ru -","- C120 H100 P8 Ru2 -","2","1","SK1628","Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B.","<i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(buta-1,3-diynyl)ruthenium(II)","Acta Crystallographica Section C","2003","59","6","m215","m217","10.1107/S0108270103007716","","","0.71073","MoKα","","","0.0378","","","","0.0914","","","","","","0.941","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013365","12.8488","0.001","7.4416","0.001","16.962","0.002","90","","113.728","0.008","90","","1484.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitroso-pyrimidin-4(3H)-one","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C56 H68 N20 O16 -","4","1","SK1629","Abonia, Rodrigo; Glidewell, Christopher; Low, John N.; Nogueras, Manuel; Quiroga, Jairo","6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one: hydrogen-bonded sheets form interdigitated bilayers","Acta Crystallographica Section C","2003","59","5","o237","o239","10.1107/S0108270103006231","","","0.71073","MoKα","","0.0668","0.0448","","","0.1067","0.1172","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013366","8.8183","0.0003","9.6999","0.0004","10.4089","0.0005","86.787","0.002","86.377","0.002","78.798","0.003","870.76","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","(R)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1H,3H)-dionate (R)-1-phenylethylamine hemisolvate","","- C32 H41 N11 O8 -","- C32 H41 N11 O8 -","- C32 H41 N11 O8 -","1","1","SK1630","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","(<i>R</i>)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate (<i>R</i>)-1-phenylethylamine hemisolvate: hydrogen-bonded sheets of ions with pendent solvent molecules","Acta Crystallographica Section C","2003","59","5","o240","o243","10.1107/S0108270103006383","","","0.71073","MoKα","","0.0482","0.0444","","","0.1118","0.1153","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013367","8.268","0.003","11.757","0.003","11.0253","0.0019","90","","93.721","0.018","90","","1069.5","0.5","228","2","228","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H30 Co N5 O4 -","- C19 H30 Co N5 O4 -","- C38 H60 Co2 N10 O8 -","2","1","SK1631","Pickin, Kerry A.; Day, Cynthia S.; Wright, Marcus W.; Welker, Mark E.","<i>trans</i>-Bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(1-hexenyl)(pyridine-κ<i>N</i>)cobalt(III): a cobaloxime-substituted terminal alkene that rapidly isomerizes to a cobaloxime-substituted internal alkenyl complex","Acta Crystallographica Section C","2003","59","5","m193","m195","10.1107/S0108270103006899","","","0.71073","MoKα","","0.0502","0.042","","","0.1007","0.1058","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013368","9.0267","0.0001","20.0965","0.0003","8.0592","0.0001","90","","116.033","0.0009","90","","1313.65","0.03","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-[1-(prop-2-enyl)]-1,8,10-trihydoxy-9(10H)-anthracenone","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","SK1634","Thamotharan, S.; Parthasarathi, V.; Kumar, Subodh; Kumar, Vijay; Linden, Anthony","Hydrogen-bonded dimers of 1,8,10-trihydroxy-10-(prop-2-enyl)anthracen-9(10<i>H</i>)-one: <i>S</i>(6), <i>R</i>^<b>1</b>_<b>2</b>(10) and <i>R</i>^<b>2</b>_<b>2</b>(14) motifs","Acta Crystallographica Section C","2003","59","6","o335","o337","10.1107/S0108270103009223","","","0.71073","MoKα","","0.065","0.047","","","0.1225","0.1352","","","","","","1.051","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013369","8.6559","0.0009","9.3275","0.0009","10.1044","0.0012","113.379","0.005","108.908","0.004","100.345","0.004","662.32","0.13","150","1","150","1","","","","","","","","4","P 1","P 1","1","","meso-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (S)-malate(2-) methanol disolvate","","- C22 H50 N4 O7 -","- C22 H50 N4 O7 -","- C22 H50 N4 O7 -","1","1","SK1635","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (<i>S</i>)-malate(2‒) methanol disolvate: a chain of rings generated by two pairs of N—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","6","o329","o331","10.1107/S010827010300920X","","","0.71073","MoKα","","0.1174","0.064","","","0.168","0.2015","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013370","7.2451","0.0001","7.3772","0.0002","11.1339","0.0003","88.416","0.001","78.695","0.001","70.527","0.001","549.71","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ammonium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate","","- C7 H14 N6 O5 -","- C7 H14 N6 O5 -","- C14 H28 N12 O10 -","2","1","SK1636","Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Glidewell, Christopher; Low, John N.","Ammonium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate forms hydrogen-bonded bilayers","Acta Crystallographica Section C","2003","59","6","o326","o328","10.1107/S0108270103009181","","","0.71073","MoKα","","0.042","0.0378","","","0.1111","0.1176","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013371","4.9634","0.0003","11.1829","0.0009","11.796","0.0008","90","","102.665","0.004","90","","638.81","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione","","- C5 H6 N4 O3 -","- C5 H6 N4 O3 -","- C20 H24 N16 O12 -","4","1","SK1637","Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione forms a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2003","59","6","o340","o342","10.1107/S0108270103009302","","","0.71073","MoKα","","0.0589","0.0447","","","0.1108","0.118","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013372","6.7594","0.0001","11.2513","0.0003","12.6048","0.0002","106.467","0.002","92.911","0.001","99.935","0.001","900.46","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Barium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionate trihydrate","","- C10 H16 Ba N8 O9 -","- C10 H16 Ba N8 O9 -","- C20 H32 Ba2 N16 O18 -","2","1","SK1638","López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher","Barium bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate] trihydrate: coordination polymer chains linked by hydrogen bonds","Acta Crystallographica Section C","2003","59","6","m255","m258","10.1107/S0108270103009703","","","0.71073","MoKα","","0.0279","0.0269","","","0.0724","0.0728","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013373","7.834","0.002","9.408","0.002","20.532","0.004","90","","97.75","0.02","90","","1499.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Mn N2 O6 -","- C13 H14 Mn N2 O6 -","- C52 H56 Mn4 N8 O24 -","4","1","SQ1008","Liang Shen","Diaqua(2,2'-bipyridine)malonatomanganese(II)","Acta Crystallographica Section C","2003","59","4","m128","m129","10.1107/S0108270103004244","","","0.71073","MoKα","","0.0389","0.0311","","","0.0772","0.0797","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013374","8.3288","0.0004","8.522","0.0004","9.3793","0.0005","81.387","0.002","69.135","0.002","64.589","0.002","561.88","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano- 2-ethoxypropenido-κ^4^N^1^:N^3^]","","- C18 H14 Mn N8 O4 -","- C18 H14 Mn N8 O4 -","- C18 H14 Mn N8 O4 -","1","0.5","SQ1009","Schlueter, John A.; Geiser, Urs","<i>catena</i>-Poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano-2-ethoxypropenido-κ^4^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2003","59","4","m146","m148","10.1107/S0108270103004360","","","0.71073","MoKα","","0.037","0.032","","","0.088","0.091","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013375","5.903","0.002","9.495","0.004","11.63","0.006","90","","96.09","0.02","90","","648.2","0.5","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","nootkatone","","","- C15 H22 O -","- C15 H22 O -","- C30 H44 O2 -","2","1","SQ1013","Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.","The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative","Acta Crystallographica Section C","2003","59","5","o254","o256","10.1107/S010827010300684X","","","0.71073","MoKα","","0.068","0.041","","","0.085","0.098","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013376","13.5","0.003","6.1403","0.001","18.909","0.005","90","","92.145","0.007","90","","1566.3","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 Br2 O -","- C15 H24 Br2 O -","- C60 H96 Br8 O4 -","4","2","SQ1013","Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.","The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative","Acta Crystallographica Section C","2003","59","5","o254","o256","10.1107/S010827010300684X","","","0.71073","MoKα","","0.081","0.053","","","0.086","0.095","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013377","9.8698","0.0002","11.7941","0.0003","7.6686","0.0001","90","","90","","90","","892.67","0.03","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- La2 Nb3 O8 S2 -","- La2 Nb3 O8 S2 -","- La8 Nb12 O32 S8 -","4","0.5","SQ1017","Cario, Laurent; Kabbour, Houria; Guillot-Deudon, Catherine; Meerschaut, Alain","A mixed-valent niobium oxysulfide, La~2~Nb~3~S~2~O~8~","Acta Crystallographica Section C","2003","59","6","i55","i56","10.1107/S0108270103009570","","","0.71073","MoKα","","0.0323","0.0247","","","0.05","0.0522","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013378","10.479","0.002","5.296","0.001","22.686","0.005","90","","91.96","0.03","90","","1258.3","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Diaqua bis(dimethylsulfoxide-O) bis(3,5-dinitrobenzoato-O)zinc(II)","Bisaquabis(dimethylsulfoxide)bis(3,5-dinitrobenzoato)zinc(II)","","- C18 H22 N4 O16 S2 Zn -","- C18 H22 N4 O16 S2 Zn -","- C36 H44 N8 O32 S4 Zn2 -","2","0.5","TA1404","Miminoshvili, Elguja B.; Sobolev, Alexandre N.; Sakvarelidze, Tamara N.; Miminoshvili, Ketevan E.; Kutelia, Elguja R.","Diaquabis(dimethyl sulfoxide)bis(3,5-dinitrobenzoato)zinc(II) and the synthesis of the Cu, Ni and Co analogs","Acta Crystallographica Section C","2003","59","4","m118","m120","10.1107/S0108270103003779","","","0.71073","MoKα","","0.0373","0.0266","","","0.0677","0.0707","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013379","11.9081","0.0018","6.4458","0.0007","13.996","0.003","90","","111.44","0.016","90","","1000","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Carbamoylguanidinium methylphosphonate hydrate","","- C3 H13 N4 O5 P -","- C3 H13 N4 O5 P -","- C12 H52 N16 O20 P4 -","4","1","TR1047","Brauer, David J.; Kottsieper, Konstantin W.","Hydrogen bonding in 1-carbamoylguanidinium methylphosphonate monohydrate","Acta Crystallographica Section C","2003","59","5","o244","o246","10.1107/S0108270103005857","","","0.71073","MoKα","","0.064","0.0369","","","0.0791","0.0851","","","","","","0.832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013380","15.154","0.004","10.499","0.003","36.743","0.008","90","","90","","90","","5846","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane","","- C28 H44 S6 -","- C28 H44 S6 -","- C224 H352 S48 -","8","1","TR1053","Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Vinković, Marijana; Mlinarić-Majerski, Kata","Dispiro[adamantane-2,2'-1',3',6',9',11',14'-hexathiacyclohexadecane-10',2''-adamantane]","Acta Crystallographica Section C","2003","59","6","o314","o316","10.1107/S0108270103008369","","","0.71069","MoKα","","","0.0629","","","","0.2043","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013381","9.862","0.006","16.541","0.005","10.21","0.012","90","","113.84","0.04","90","","1523","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate","","- C16 H31 Ag4 Cu2 N13 O2 -","- C16 H31 Ag4 Cu2 N13 O2 -","- C32 H62 Ag8 Cu4 N26 O4 -","2","0.5","TR1059","Potočňák, Ivan; Triščíková, Ľubica; Wagner, Christoph","Low-dimensional compounds containing cyano groups. VI. A unique two- and one-dimensional structure in amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate","Acta Crystallographica Section C","2003","59","6","m249","m251","10.1107/S0108270103010151","","","0.71073","MoKα","","0.058","0.0422","","","0.0998","0.1133","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013382","8.6026","0.0019","9.957","0.002","15.664","0.004","79.05","0.03","87.01","0.03","79.64","0.03","1295.6","0.5","220","1","220","1","","","","","","","","7","P -1","-P 1","2","","Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate","","- C27 H16 Cu F3 N7 O3 S -","- C27 H16 Cu F3 N7 O3 S -","- C54 H32 Cu2 F6 N14 O6 S2 -","2","1","TR1060","Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar","Low-dimensional compounds containing cyano groups. VII. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) trifluoromethanesulfonate","Acta Crystallographica Section C","2003","59","6","m252","m254","10.1107/S0108270103010187","","","0.71069","MoKα","","0.047","0.0354","","","0.0917","0.0999","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013383","12.097","0.003","7.021","0.002","15.425","0.004","90","","96.645","0.005","90","","1301.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","","- C10 H13 Cl2 N3 S2 -","- C10 H13 Cl2 N3 S2 -","- C40 H52 Cl8 N12 S8 -","4","1","TY1000","Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","Acta Crystallographica Section C","2003","59","6","o293","o297","10.1107/S0108270103007686","","","0.71073","MoKα","","0.0497","0.0333","","","0.0811","0.0886","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013384","8.0944","0.0008","13.9838","0.0014","30.482","0.003","90","","92.292","0.002","90","","3447.5","0.6","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","","- C16 H19 N7 S2 -","- C16 H19 N7 S2 -","- C128 H152 N56 S16 -","8","1","TY1000","Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","Acta Crystallographica Section C","2003","59","6","o293","o297","10.1107/S0108270103007686","","","0.71073","MoKα","","0.083","0.04","","","0.0967","0.119","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013385","7.8826","0.0004","8.0041","0.0004","8.2092","0.0005","65.505","0.0001","69.566","0.0001","69.037","0.0001","427.67","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(Hydroxymethyl)pyridinium dihydrogenphosphate","","- C6 H10 N O5 P -","- C6 H10 N O5 P -","- C12 H20 N2 O10 P2 -","2","1","AV1139","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","2-(Hydroxymethyl)pyridinium dihydrogenphosphate","Acta Crystallographica Section C","2003","59","7","o378","o380","10.1107/S0108270103011077","","","0.71073","MoKα","","0.0425","0.0386","","","0.1123","0.1152","","","","","","1.079","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013386","15.07","0.003","6.4292","0.0012","9.8694","0.0018","90","","90","","90","","956.2","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H13 N5 -","- C8 H13 N5 -","- C32 H52 N20 -","4","1","AV1140","Lyakhov, Alexander S.; Voitekhovich, Sergey V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","Non-linear optical crystals of 2,2,3-trimethyl-3-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)butanenitrile","Acta Crystallographica Section C","2003","59","7","o388","o389","10.1107/S0108270103011387","","","0.71073","MoKα","","0.0412","0.0367","","","0.1027","0.1076","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013387","14.316","0.002","7.7313","0.0011","17.678","0.003","90","","112.43","","90","","1808.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","17β-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","AV1142","Starova, Galina Leonidovna; Egorov, Maxim Sergeevitch; Vasiljeva, Evgenija Sergeevna; Shavva, Alexandr Grigorievitch","17β-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene","Acta Crystallographica Section C","2003","59","8","o451","o453","10.1107/S0108270103013775","","","0.71073","MoKα","","0.1961","0.0463","","","0.0728","0.0958","","","","","","0.759","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013388","32.2","0.004","15.993","0.002","18.415","0.002","90","","105.228","0.002","90","","9150.3","1.9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- As4 H95 N9 O95 W17 Zr2 -","- As4 N9 O95 W17 Zr2 -","- As16 N36 O380 W68 Zr8 -","4","0.5","BC1008","Gaunt, Andrew J.; May, Iain; Collison, David; Helliwell, Madeleine","A novel zirconium polyoxometalate compound: (NH~4~)~9~[Zr~2~(μ-OH)(H~2~O)~2~(AsOH)~2~(AsW~7~O~28~)(AsW~10~O~36~)]·26H~2~O","Acta Crystallographica Section C","2003","59","7","i65","i66","10.1107/S0108270103006358","","","0.71073","MoKα","","0.0512","0.0358","","","0.0788","0.0846","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013389","22.633","0.003","22.633","0.003","4.0252","0.0008","90","","90","","90","","2061.9","0.6","293","","","","","","","","","","","4","I 4/m","-I 4","87","Lanthanum titanium oxysulfide","hexadecalanthanum pentatitanium heptadecasulfide heptadecaoxide","","- La16 O17 S17.75 Ti5 -","- La16 O17 S17.75 Ti5 -","- La32 O34 S35.5 Ti10 -","2","0.125","BC1010","Meignen, Vincent; Lafond, Alain; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain","A new lanthanum titanium oxysulfide, La~16~Ti~5~S~17+<i>x~</i>O~17~, with <i>x</i>=0.75(9)","Acta Crystallographica Section C","2003","59","7","i63","i64","10.1107/S0108270103010552","","","0.71069","MoKα","","0.0298","0.0234","","","0.0314","0.0323","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013390","14.807","0.001","9.5404","0.0019","10.394","0.001","90","","134.12","0.02","90","","1054.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","gismondine-type lithium potassium aluminogermanate","lithium potassium dialuminum digermanium octaoxide dihydrate","","- Al Ge H2 K0.5 Li0.5 O5 -","- Al Ge K0.49 Li0.5 O5 -","- Al8 Ge8 K3.92 Li4 O40 -","8","1","BC1016","Celestian, Aaron J.; Parise, John B.; Tripathi, Akhilesh; Kvick, Åke; Vaughan, Gavin M.B.","(K~4~Li~4~)Al~8~Ge~8~O~32~·8H~2~O: an Li^±exchanged potassium aluminogermanate with the zeolite gismondine (GIS) topology","Acta Crystallographica Section C","2003","59","8","i74","i76","10.1107/S0108270103011739","","","0.51641","Synchrotron","","0.0337","0.0327","","","0.0758","0.0761","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013391","10.0308","0.0014","10.0308","0.0014","10.0308","0.0014","90","","90","","90","","1009.3","0.2","295","2","295","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","cesium magnesium phosphate hydrate","cesium hexaaquamagnesium phosphate","","- Cs H12 Mg O10 P -","- Cs H12 Mg O10 P -","- Cs4 H48 Mg4 O40 P4 -","4","0.0416667","BC1018","Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.","A new cubic form of caesium hexaaquamagnesium phosphate, Cs[Mg(H~2~O)~6~](PO~4~)","Acta Crystallographica Section C","2003","59","8","i83","i85","10.1107/S0108270103011417","","","0.71073","MoKα","","0.0186","0.017","","","0.0347","0.035","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013392","6.1903","0.0001","12.0733","0.0002","7.0741","0.0001","90","","115.67","0.0008","90","","476.519","0.013","250","1","250","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (I)","potassium dihydrogenphosphate - hydrofluoric acid adduct (I)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.71069","MoKα","","0.023","0.0218","","","0.0557","0.0565","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013393","6.1624","0.0001","12.0744","0.0002","7.0448","0.0001","90","","115.74","0.0009","90","","472.172","0.013","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (I)","potassium dihydrogenphosphate - hydrofluoric acid adduct (I)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.71069","MoKα","","0.021","0.0201","","","0.0589","0.0593","","","","","","1.225","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013394","6.5004","0.0002","7.6116","0.0002","9.5029","0.0002","90","","101.15","0.0016","90","","461.31","0.02","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (II)","potassium dihydrogenphosphate - hydrofluoric acid adduct (II)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.71069","MoKα","","0.0258","0.0249","","","0.0698","0.0705","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013395","6.448","0.0002","7.566","0.0002","9.476","0.0003","90","","101.237","0.0018","90","","453.43","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (II)","potassium dihydrogenphosphate - hydrofluoric acid adduct (II)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.7107","MoKα","","0.0245","0.0239","","","0.0591","0.0594","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013396","10.559","0.004","7.898","0.003","6.057","0.003","90","","90","","90","","505.1","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","sodium hexafluorophosphate monohydrate","sodium hexafluorophospate monohydrate","","- F6 H2 Na O P -","- F6 H2 Na O P -","- F24 H8 Na4 O4 P4 -","4","0.5","BC1021","Ilia A. Guzei; Joseph M. Langenhan","The correct space group of NaPF~6~·H~2~O","Acta Crystallographica Section C","2003","59","9","i95","i96","10.1107/S0108270103014446","","","0.71073","MoKα","","0.054","0.0452","","","0.0942","0.0976","","","","","","1.183","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013397","13.639","0.003","8.899","0.002","6.9254","0.0017","90","","97.13","0.02","90","","834.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis(3-cyanofurazan-4-yl) ether","","- C6 N6 O3 -","- C6 N6 O3 -","- C24 N24 O12 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.039","0.0341","","","0.0992","0.1014","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013398","7.853","0.002","8.791","0.002","12.229","0.003","90","","90","","90","","844.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-cyanofurazanyl 3-nitrofurazanyl ether","","- C5 N6 O5 -","- C5 N6 O5 -","- C20 N24 O20 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0559","0.0451","","","0.1173","0.1207","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013399","7.8295","0.0015","8.6273","0.0018","17.409","0.003","90","","90","","90","","1175.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-bis(3-cyanofurazan-4-yloxy)furazan","","- C8 N8 O5 -","- C8 N8 O5 -","- C32 N32 O20 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0495","0.0447","","","0.1248","0.1281","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013400","6.43","0.0013","13.709","0.003","17.134","0.003","90","","90","","90","","1510.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","bis[3-(3-cyanofurazan-4-yloxy)furazan-4-yl]diazene","","- C10 N12 O6 -","- C10 N12 O6 -","- C40 N48 O24 -","4","0.5","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0556","0.0404","","","0.1011","0.1107","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013401","11.4841","0.0002","13.5642","0.0003","17.5171","0.0004","87.147","0.001","88.062","0.001","81.073","0.001","2691.35","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","cis-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~ tetrahydrofuran solvate","tetracarbonyl-1κ^4^C-tris(triphenylphosphino)-1κP,2κP,3κP-triangulo- chromiumdisilver(Au—Au)(2 Cr—Au) tetrahydrofuran solvate","","- C62 H53 Au2 Cr O5 P3 -","- C62 H53 Au2 Cr O5 P3 -","- C124 H106 Au4 Cr2 O10 P6 -","2","1","BM1531","Esterhuysen, Matthias W.; Raubenheimer, Helgard G.","[<i>cis</i>-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~]·THF, featuring the shortest known separation between two Au metal centres in a heteronuclear Au~2~<i>M</i> cluster","Acta Crystallographica Section C","2003","59","7","m286","m288","10.1107/S0108270103010370","","","0.71073","MoKα","","0.0523","0.0306","","","0.0522","0.0574","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013402","16.3632","0.0005","5.3329","0.0002","8.4108","0.0003","90","","100.364","0.002","90","","721.98","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Bromo-2-hydroxybenzyl alcohol","4-Bromo-2-hydroxymethyl-phenol","","- C7 H7 Br O2 -","- C7 H7 Br O2 -","- C28 H28 Br4 O8 -","4","1","BM1532","Philip J. Cox","4-Bromo-2-(hydroxymethyl)phenol: helical hydrogen bonding, <i>R</i>_<b>2</b>^<b>2</b>(12) rings and C—H···π interactions","Acta Crystallographica Section C","2003","59","9","o512","o513","10.1107/S0108270103013635","","","0.71073","MoKα","","0.0471","0.0417","","","0.1098","0.1144","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013403","9.629","0.0019","12.459","0.003","13.867","0.003","82.91","0.03","81.28","0.03","83.65","0.03","1624.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4,6,7,8-tetra-tert-butyl-1,2,3-triphospha-5- phosphoniapentacyclo[3.2.1.0^2,4^.0^3,8^]oct-6-ene tetraiodogallate","","- C20 H37 Ga I4 P4 -","- C20 H37 Ga I4 P4 -","- C40 H74 Ga2 I8 P8 -","2","1","BM1533","Baker, Robert J.; Bettentrup, Helga; Jones, Cameron","The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane","Acta Crystallographica Section C","2003","59","9","m339","m341","10.1107/S0108270103014501","","","0.71073","MoKα","","0.0772","0.0571","","","0.137","0.151","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013404","12.082","0.002","17.522","0.004","14.615","0.003","90","","101.47","0.03","90","","3032.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","triiodo(3,5,7,8-tetra-tert-butyl-1,2,4λ^5^,6- tetraphosphatetracyclo[4.1.1.0^2,5^.0^7,8^]octan-4-one)gallium","","- C20 H38 Ga I3 O P4 -","- C20 H38 Ga I3 O P4 -","- C80 H152 Ga4 I12 O4 P16 -","4","1","BM1533","Baker, Robert J.; Bettentrup, Helga; Jones, Cameron","The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane","Acta Crystallographica Section C","2003","59","9","m339","m341","10.1107/S0108270103014501","","","0.71073","MoKα","","0.0406","0.0332","","","0.078","0.0814","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013405","11.0551","0.0004","11.7236","0.0004","11.8718","0.0005","64.1855","0.0018","89.6613","0.0016","83.484","0.002","1374.53","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","Imperatorin, Phellopterin","8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one 5-methoxy-8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one (0.93/0.07)","","- C16.08 H14.15 O4.08 -","- C16.074 H14.148 O4.074 -","- C64.296 H56.592 O16.296 -","4","2","BM1534","Philip J Cox; Marcel Jaspars; Yashodharan Kumarasamy; Lutfun Nahar; Satyajit D. Sarker; Mohammad Shoeb","A mixed crystal of imperatorin and phellopterin, with C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section C","2003","59","9","o520","o522","10.1107/S0108270103012459","","","0.71073","MoKα","","0.1638","0.0838","","","0.1535","0.1813","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013406","12.951","0.003","11.43","0.002","9.4079","0.0019","90","","109.51","0.03","90","","1312.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-chloro-m-cresol","2-chloro-methylphenol","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C56 H56 Cl8 O8 -","8","2","BM1535","Philip J Cox","Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol)","Acta Crystallographica Section C","2003","59","9","o533","o536","10.1107/S0108270103012447","","","0.71073","MoKα","","0.0646","0.0561","","","0.1339","0.1376","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013407","10.6998","0.0004","14.2926","0.0005","8.7105","0.0003","90","","91.152","0.002","90","","1331.81","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chloro-m-cresol","4-chloro-3-methylphenol","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C56 H56 Cl8 O8 -","8","2","BM1535","Philip J Cox","Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol)","Acta Crystallographica Section C","2003","59","9","o533","o536","10.1107/S0108270103012447","","","0.71073","MoKα","","0.0861","0.0457","","","0.0988","0.1132","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013408","17.5017","0.0017","17.5017","0.0017","7.7186","0.0008","90","","90","","90","","2364.3","0.4","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","BM1538","Tunc̨, Tuncay; Tezcan, Habibe; Sarı, Musa; Büyükgüngör, Orhan; Yaǵbasan, Rahmi","<i>N</i>-(4-Nitrobenzylidene)-<i>N</i>'-phenylhydrazine","Acta Crystallographica Section C","2003","59","9","o528","o529","10.1107/S0108270103016019","","","0.71073","MoKα","","0.0655","0.0323","","","0.0679","0.0702","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013409","10.471","0.001","13.1323","0.0011","14.0516","0.0012","90","","102.19","0.01","90","","1888.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrazolo[3,4-d]pyrimidine","4,6-Bis(methylsulfanyl)-1-phthalimidopropyl-1H-pyrazolo[3,4-d]pyrimidine","","- C18 H17 N5 O2 S2 -","- C18 H17 N5 O2 S2 -","- C72 H68 N20 O8 S8 -","4","1","DE1208","Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R.","Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties","Acta Crystallographica Section C","2003","59","8","o409","o412","10.1107/S0108270103011442","","","0.71073","MoKα","","0.0548","0.0372","","","0.083","0.092","","","","","","1.019","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013410","7.5993","0.0006","9.3968","0.0007","15.376","0.002","80.684","0.008","82.48","0.01","72.685","0.006","1030.41","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Parazolo[3,4-d]pyrimidine","6-Methylsulfanyl-1-phthalimidopropyl-4-pyrrolidino-1H- pyrazolo[3,4-d]pyrimidine","","- C21 H22 N6 O2 S -","- C21 H22 N6 O2 S -","- C42 H44 N12 O4 S2 -","2","1","DE1208","Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R.","Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties","Acta Crystallographica Section C","2003","59","8","o409","o412","10.1107/S0108270103011442","","","0.71073","MoKα","","0.0919","0.0569","","","0.1403","0.1707","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013411","9.157","0.001","9.768","0.001","11.366","0.002","98.95","0.01","97.14","0.01","94.03","0.01","992.3","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Ca F6 N8 O12 S2 -","- C28 H36 Ca F6 N8 O12 S2 -","- C28 H36 Ca F6 N8 O12 S2 -","1","0.5","DE1212","M. Barboiu; A. van der Lee","Hydrogen bonding in calcium‒trifluoromethanesulfonate‒1,3-di-4-pyridylurea‒methanol (1/2/2/4)","Acta Crystallographica Section C","2003","59","9","m366","m368","10.1107/S0108270103011454","","","0.71073","MoKα","","0.0748","0.035","","","0.0602","0.0663","","","","","","0.695","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013412","8.152","0.002","15.622","0.004","18.08","0.005","86.6","0.01","86.93","0.01","75.57","0.01","2224.1","1","174","2","174","2","","","","","","","","3","P -1","-P 1","2","diiododurene","1,4-Diiodo-2,3,5,6-tetramethylbenzene","","- C10 H12 I2 -","- C10 H12 I2 -","- C80 H96 I16 -","8","4","DE1213","Britton, Doyle; Gleason, William B.","Diiododurene: four centrosymmetric molecules in general positions","Acta Crystallographica Section C","2003","59","8","o439","o442","10.1107/S0108270103012769","","","0.71073","MoKα","","0.047","0.027","","","0.06","0.061","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013413","21.044","0.002","8.814","0.001","18.953","0.002","90","","118.07","0.01","90","","3101.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyrazolo[3,4-d]pyrimidine","1,3-bis(4,6-diisopropylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane","","- C25 H36 N8 S4 -","- C25 H36 N8 S4 -","- C100 H144 N32 S16 -","4","0.5","DE1217","Avasthi, Kamlakar; Farooq, Sheikh M.; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R.","A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect on stacking of a bulky isopropyl group in comparison with a methyl/ethyl group","Acta Crystallographica Section C","2003","59","9","o523","o524","10.1107/S0108270103016676","","","0.71073","MoKα","","0.0415","0.0345","","","0.089","0.0936","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013414","11.817","0.003","11.817","0.003","36.608","0.004","90","","90","","90","","5112","1.9","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C63 H44 F6 N4 Ru -","- C63 H44 F6 N4 Ru -","- C252 H176 F24 N16 Ru4 -","4","0.5","DE1218","Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken","A five-coordinate ruthenium(II)‒porphyrin‒carbene complex: [bis(3-trifluoromethylphenyl)methylene-κ<i>C</i>](5,10,15,20-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2003","59","9","m369","m370","10.1107/S010827010301669X","","","0.71069","MoKα","","0.088","0.05","","","0.124","0.142","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013415","10.824","0.005","24.12","0.01","13.18","0.003","90","","95.42","0.03","90","","3426","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[1-(p-chlorophenyl)-5-isopropylbiguanide] nickel(II) dichloride dimethylformamide solvate.","","- C25 H39 Cl4 N11 Ni O -","- C25 H39 Cl4 N11 Ni O -","- C100 H156 Cl16 N44 Ni4 O4 -","4","1","DN1020","F. Bentefrit; P. Lemoine; D. Nguyen-Huy; G. Morgant; B. Viossat","Bis[1-(<i>p</i>-chlorophenyl)-5-isopropylbiguanide-κ^2^<i>N</i>^2^,<i>N</i>^4^]nickel(II) dichloride dimethylformamide solvate","Acta Crystallographica Section C","2003","59","8","m331","m333","10.1107/S0108270103013519","","","0.71069","MoKα","","0.1238","0.0399","","","0.0896","0.1098","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013416","11.546","0.002","10.321","0.003","11.594","0.004","90","","118.031","0.005","90","","1219.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'R,3'R,5'R,2S,3S)-3-bromomethyl-3-hydroxy-2-[(2'-hydroxy-2',6',6'- trimethylbicyclo[3.1.1]hept-3'-ylidene)amino]succinic acid","","- C21 H34 Br N O6 -","- C21 H34 Br N O6 -","- C42 H68 Br2 N2 O12 -","2","1","DN1023","Johny Wehbe; Valérie Rolland; Jean Martinez; Marc Rolland","An intermediate in a new synthesis approach to β-substituted β-hydroxyaspartame","Acta Crystallographica Section C","2003","59","8","o473","o475","10.1107/S0108270103014057","","","0.71073","MoKα","","0.0598","0.0458","","","0.1087","0.1194","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013417","13.4356","0.0006","7.2183","0.0002","16.0421","0.0006","90","","118.51","0.002","90","","1367.13","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Cu N4 -","- C12 H12 Cl2 Cu N4 -","- C48 H48 Cl8 Cu4 N16 -","4","1","DN1026","Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.","Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium","Acta Crystallographica Section C","2003","59","8","m334","m336","10.1107/S0108270103013945","","","0.71073","MoKα","","0.0359","0.0311","","","0.0746","0.0775","","","","","","1.066","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013418","7.8306","0.0002","9.7979","0.0003","10.1976","0.0004","92.861","0.001","112.014","0.001","105.493","0.001","689.07","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cd2 Cl4 N8 -","- C24 H24 Cd2 Cl4 N8 -","- C24 H24 Cd2 Cl4 N8 -","1","0.5","DN1026","Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.","Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium","Acta Crystallographica Section C","2003","59","8","m334","m336","10.1107/S0108270103013945","","","0.71073","MoKα","","0.0236","0.0215","","","0.0495","0.0511","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013419","7.691","0.013","14.41","0.02","8.909","0.011","90","","113.13","0.02","90","","908","2","14","1","14","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DBM","1,3-dibromo-2,4,6-trimethylbenzene","","- C9 H10 Br2 -","- C9 H10 Br2 -","- C36 H40 Br8 -","4","1","FA1013","Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean","The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K","Acta Crystallographica Section C","2003","59","8","o445","o450","10.1107/S0108270103012666","","neutron","0.8308","Neutron","","","0.0261","","","","0.0233","","","","","","1.1552","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013420","7.721","0.014","14.46","0.03","8.924","0.017","90","","112.87","0.02","90","","918","3","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DBM","1,3-dibromo-2,4,6-trimethylbenzene","","- C9 H10 Br2 -","- C9 H10 Br2 -","- C36 H40 Br8 -","4","1","FA1013","Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean","The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K","Acta Crystallographica Section C","2003","59","8","o445","o450","10.1107/S0108270103012666","","neutron","0.8308","Neutron","","","0.0324","","","","0.0235","","","","","","1.0624","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013421","7.1797","0.0015","8.954","0.003","14.301","0.004","90","","99.401","0.007","90","","907","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","uranyl dinitrate trihydrate","diaquadinitratouranyl(VI) hydrate","","- H6 N2 O11 U -","- H6 N2 O11 U -","- H24 N8 O44 U4 -","4","1","FA1015","Shuvalov, Robert R.; Burns, Peter C.","A monoclinic polymorph of uranyl dinitrate trihydrate, [UO~2~(NO~3~)~2~(H~2~O)~2~]·H~2~O","Acta Crystallographica Section C","2003","59","8","i71","i73","10.1107/S0108270103012113","","","0.71073","MoKα","","","0.0303","","","","0.059","","","","","","0.996","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2013422","7.517","0.0015","12.733","0.003","12.956","0.003","90","","94.96","0.03","90","","1235.4","0.5","293","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(3,5-diaza-1-azonia-7-phosphaadamantane- κP)bis(thiocyanato-κS)palladium(II) bis(thiocyanate)","","- C16 H26 N10 P2 Pd S4 -","- C16 H26 N10 P2 Pd S4 -","- C32 H52 N20 P4 Pd2 S8 -","2","0.5","FA1019","Meij, Anna M. M.; Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Bis(3,5-diaza-1-azonia-7-phosphaadamantane-κ<i>P</i>)bis(thiocyanato-κ<i>S</i>)palladium(II) bis(thiocyanate)","Acta Crystallographica Section C","2003","59","9","m352","m354","10.1107/S010827010301521X","","","0.71073","MoKα","","0.0468","0.0289","","","0.052","0.0569","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013423","6.08","0.003","6.815","0.003","14.314","0.005","96.86","0.04","91.28","0.04","101.4","0.05","576.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamide","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C24 H30 N6 O2 -","2","1","FA1020","Viktor Kettmann; Jan Světlík","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1<i>H</i>-pyrazole-1-carboxamide","Acta Crystallographica Section C","2003","59","8","o419","o421","10.1107/S0108270103012241","","","0.71073","MoKα","","0.0852","0.0516","","","0.1275","0.1456","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013424","10.8567","0.0005","11.1494","0.0005","13.2873","0.001","66.672","0.005","73.054","0.005","80.19","0.005","1410","0.15","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","chloro[1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium-1-yl)-3- quinolinecarboxylate-κ^2^O^3^,O^4^](1,10-phenanthroline-κ^2^N,N')copper chloride dihydrate","","- C29 H30 Cl2 Cu F N5 O5 -","- C29 H30 Cl2 Cu F N5 O5 -","- C58 H60 Cl4 Cu2 F2 N10 O10 -","2","1","FA1021","Drevenšek, Petra; Leban, Ivan; Turel, Iztok; Giester, Gerald; Tillmanns, Ekkehart","A novel copper(II) complex with 1,10-phenanthroline and ciprofloxacin","Acta Crystallographica Section C","2003","59","9","m376","m378","10.1107/S0108270103016330","","","0.71073","MoKα","","0.036","0.029","","","0.071","0.074","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013425","18.831","0.005","16.423","0.004","14.65","0.004","90","","98.107","0.006","90","","4485","2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N12 Ru S2 -","- C46 H38 N12 Ru S2 -","- C184 H152 N48 Ru4 S8 -","4","0.5","FG1686","Seamans, Gary; Walsh, Jerry L.; Krawiec, Mariusz; Pennington, William T.","A ruthenium complex with 1,5-diphenyl-3-thiocarbazone (dithizone) as monodentate ligands: bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(dithizonato-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section C","2003","59","7","m268","m270","10.1107/S0108270103009338","","","0.7107","MoKα","","0.1056","0.0708","","","0.1254","0.1387","","","","","","1.08","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013426","7.1159","0.0006","10.7627","0.0011","12.1055","0.001","90","","90","","90","","927.12","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η^6^-Chlorobenzene)tricarbonylchromium","","- C9 H5 Cl Cr O3 -","- C9 H5 Cl Cr O3 -","- C36 H20 Cl4 Cr4 O12 -","4","1","FG1692","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Warren, John E.","Tricarbonyl(η^6^-chlorobenzene)chromium","Acta Crystallographica Section C","2003","59","8","m322","m324","10.1107/S0108270103013787","","","0.71073","MoKα","","0.1311","0.056","","","0.0823","0.0972","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013427","13.452","0.001","13.671","0.002","7.034","0.002","90","","93.442","0.011","90","","1291.2","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N5 O4 -","- C12 H9 N5 O4 -","- C48 H36 N20 O16 -","4","1","FG1694","Hörner, Manfredo; Bresolin, Leandro.; Bordinhao, Jairo; Hartmann, Edmund.; Strähle, Joachim.","1,3-Bis(4-nitrophenyl)triazene","Acta Crystallographica Section C","2003","59","8","o426","o427","10.1107/S0108270103012125","","","0.71073","MoKα","","","0.0384","","","","0.1238","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013428","4.66","0.001","7.288","0.002","14.868","0.004","95.28","0.01","91.97","0.01","97.21","0.01","498.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Thioamide hydrazide of 4-N-methylamino-3-carbonic acid","Thioamide hydrazide of 4-N-methylamino-3-carbonic acid","","- C5 H8 N6 O S2 -","- C5 H8 N6 O S2 -","- C10 H16 N12 O2 S4 -","2","1","FG1695","Fonari, Marina S.; Simonov, Yurii A.; Lipkowski, Janusz; Yavolovskii, Arkadii A.","1-(4-Methylamino-1,2,5-thiadiazole-3-carbonyl)thiosemicarbazide","Acta Crystallographica Section C","2003","59","9","o491","o493","10.1107/S0108270103014136","","","0.7107","MoKα","","0.0651","0.0436","","","0.1005","0.1091","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013429","11.7971","0.0006","11.5539","0.0007","15.313","0.001","90","","106.956","0.002","90","","1996.5","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 Mg2 N4 Na2 O -","- C36 H72 Mg2 N4 Na2 O -","- C72 H144 Mg4 N8 Na4 O2 -","2","0.5","FG1696","Kennedy, Alan R.; MacLellan, Jonathan G.; Mulvey, Robert E.","A new Na/Mg inverse crown ether","Acta Crystallographica Section C","2003","59","8","m302","m303","10.1107/S0108270103011727","","","0.71073","MoKα","","0.0902","0.0538","","","0.1223","0.141","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013430","10.48","0.002","13.783","0.002","9.758","0.002","90","","90","","90","","1409.5","0.4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Sn -","- C6 H9 Cl4 N3 Sn -","- C24 H36 Cl16 N12 Sn4 -","4","0.5","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.021","0.019","","0.023","","0.022","","","1.183","","","1.161","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013431","11.274","0.002","13.822","0.002","21.606","0.003","90","","90","","90","","3366.8","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Cl4 N3 Sn -","- C9 H15 Cl4 N3 Sn -","- C72 H120 Cl32 N24 Sn8 -","8","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.049","0.027","","0.038","","0.034","","","1.07","","","1.108","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013432","15.912","0.003","12.316","0.003","16.638","0.004","90","","107.478","0.003","90","","3110.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N2 Sn -","- C8 H14 Cl4 N2 Sn -","- C64 H112 Cl32 N16 Sn8 -","8","2","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.055","0.033","","0.043","","0.04","","","1.142","","","1.231","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013433","10.099","0.0015","15.772","0.002","12.51","0.0019","90","","104.719","0.003","90","","1927.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl4 N2 Sn -","- C14 H22 Cl4 N2 Sn -","- C56 H88 Cl16 N8 Sn4 -","4","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.026","0.021","","0.031","","0.03","","","1.084","","","1.104","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013434","15.355","0.001","7.381","0.0006","18.083","0.002","90","","104.977","0.002","90","","1979.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl4 N2 Sn -","- C16 H14 Cl4 N2 Sn -","- C64 H56 Cl16 N8 Sn4 -","4","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.036","0.027","","0.037","","0.034","","","0.976","","","0.986","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013435","17.966","0.001","10.089","0.001","10.055","0.001","90","","104.97","0.01","90","","1760.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pyrazolo[3,4-d]pyrimidine","4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1H-pyrazolo[3,4-d]pyrimidine","","- C17 H20 N4 O S2 -","- C17 H20 N4 O S2 -","- C68 H80 N16 O4 S8 -","4","1","FG1701","Avasthi, Kamlakar; Bal, Chandralata; Sharon, Ashoke.; Maulik, Prakas R.","4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section C","2003","59","9","o494","o495","10.1107/S0108270103015324","","","0.71073","MoKα","","0.0797","0.0411","","","0.0857","0.1045","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013436","22.454","0.01","13.341","0.006","27.271","0.013","90","","113.701","0.014","90","","7480","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di-μ-pivalamidato-bis[(1,10-phenanthroline)platinum(II)] dinitrate dihydrate","","- C34 H40 N8 O10 Pt2 -","- C34 H36 N8 O10 Pt2 -","- C272 H288 N64 O80 Pt16 -","8","1","FG1705","Sakai, Ken; Kurashima, Mai; Akiyama, Norinobu; Satoh, Naoki; Kajiwara, Takashi; Ito, Tasuku","A head-to-head isomer of di-μ-pivalamidato-κ^4^<i>N</i>,<i>O</i>-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II)] dinitrate dihydrate","Acta Crystallographica Section C","2003","59","9","m345","m349","10.1107/S0108270103015920","","","0.71073","MoKα","","0.1416","0.0671","","","0.1039","0.1219","","","","","","0.8","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013437","9.931","0.002","9.178","0.0018","15.97","0.003","90","","96.71","0.03","90","","1445.6","0.5","298.4","0.2","298.4","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel(II) 2,2'-bipryidine-3,3'-dicarboxylate tetrahydrate","catena-Poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'- dicarboxylato-κ^3^N,N':O)] monohydrate]","","- C12 H14 N2 Ni O8 -","- C12 H14 N2 Ni O8 -","- C48 H56 N8 Ni4 O32 -","4","1","FR1420","Zhang, Hong-Tao; Shao, Ting; Wang, Hua-Qin; You, Xiao-Zeng","A single-strand helical coordination polymer: <i>catena</i>-poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate]","Acta Crystallographica Section C","2003","59","7","m259","m261","10.1107/S0108270103010163","","","0.71073","MoKα","","0.073","0.0371","","","0.0782","0.0895","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013438","14.158","0.003","15.486","0.003","17.548","0.003","90","","90","","90","","3847.4","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Tetrahydrofuran)potassium Mer-[tris(carbazolyl)-trans-dichloro- (tetrahydrofurano)zirconate].","","- C44 H40 Cl2 K N3 O2 Zr -","- C44 H40 Cl2 K N3 O2 Zr -","- C176 H160 Cl8 K4 N12 O8 Zr4 -","4","1","FR1422","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","(Tetrahydrofuran)potassium <i>mer</i>-<i>trans</i>-tris(carbazolyl)dichloro(tetrahydrofuran)zirconate","Acta Crystallographica Section C","2003","59","7","m275","m276","10.1107/S0108270103010321","","","0.71073","MoKα","","0.033","0.0283","","","0.0744","0.0779","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013439","9.688","0.004","9.72","0.004","9.831","0.004","68.64","0.03","62.33","0.03","71.74","0.03","751.8","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cu N4 O6 S2 -","- C10 H12 Cu N4 O6 S2 -","- C20 H24 Cu2 N8 O12 S4 -","2","1","FR1428","Zhi-Yong Wu; Duan-Jun Xu; Yue Luo; Jing-Yun Wu; Michael Y. Chiang","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II) monohydrate","Acta Crystallographica Section C","2003","59","8","m307","m309","10.1107/S0108270103013581","","","0.71073","MoKα","","0.059","0.032","","","0.083","0.093","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013440","10.7189","0.0005","12.2191","0.0005","16.4816","0.0007","90","","102.795","0.002","90","","2105.08","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Potassium 18-crown-6 dicyanoargentate(I)","Potassium 1,4,7,10,13,16-hexaoxacyclooctadecane dicyanoargentate(I)","","- C14 H24 Ag K N2 O6 -","- C14 H24 Ag K N2 O6 -","- C56 H96 Ag4 K4 N8 O24 -","4","1","FR1429","Schlueter, John A.; Geiser, Urs","Potassium dicyanoargentate(I) 1,4,7,10,13,16-hexaoxacyclooctadecane","Acta Crystallographica Section C","2003","59","8","m325","m327","10.1107/S0108270103014318","","","0.71073","MoKα","","0.0665","0.0255","","","0.0661","0.0857","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013441","5.7339","0.0007","14.8229","0.0015","23.469","0.002","90","","90","","90","","1994.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methyl-4(4-bromophenyl)-thiazole","","- C10 H8 Br N S -","- C10 H8 Br N S -","- C80 H64 Br8 N8 S8 -","8","2","GA1014","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Sánchez-Viesca, Francisco; Berros, Martha","4-(4-Bromophenyl)-2-methyl-1,3-thiazole","Acta Crystallographica Section C","2003","59","7","o360","o362","10.1107/S0108270103009740","","","0.71073","MoKα","","0.1583","0.0649","","","0.1269","0.1664","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013442","10.252","0.001","12.131","0.0007","14.2226","0.0008","90","","109.15","0.005","90","","1670.9","0.2","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cu2 N4 O12 -","- C32 H40 Cu2 N4 O12 -","- C64 H80 Cu4 N8 O24 -","2","0.5","GA1016","Gupta, Akhilesh Kumar; Kim, Jinkwon","Bis{μ-[6-(hydroxymethyl)-2-pyridyl]methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>}bis{[2,6-bis(hydroxymethyl)pyridine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)} diacetate","Acta Crystallographica Section C","2003","59","7","m262","m264","10.1107/S0108270103009326","","","0.71073","MoKα","","0.0485","0.0328","","","0.084","0.0961","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013443","9.178","0.001","19.566","0.002","19.705","0.002","90","","98.44","0.01","90","","3500.2","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Cis-{[1,4-(diphenylphosphine-P,P')butane] [μ-(tetrathiotungstate-S,S')]}Pd(II)0.5N,N'-dimethylformamide 0.5hydrate","","- C29.5 H32.5 N0.5 O P2 Pd S4 W -","- C29.5 H32.5 N0.5 O P2 Pd S4 W -","- C118 H130 N2 O4 P8 Pd4 S16 W4 -","4","1","GA1018","Liang, Kai; Li, Yi-Zhi; Zheng, He-Gen; Xin, Xin-Quan","<i>cis</i>-[1,4-Bis(diphenylphosphino)butane](μ-tetrathiotungstato)palladium(II) <i>N</i>,<i>N</i>'-dimethylformamide hemisolvate hemihydrate","Acta Crystallographica Section C","2003","59","8","m310","m312","10.1107/S0108270103013507","","","0.71073","MoKα","","0.0635","0.0377","","","0.1018","0.1084","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013444","9.7411","0.0008","9.7411","0.0008","17.108","0.002","90","","90","","90","","1623.4","0.3","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","bis(2,6-bis(Benzimidazol-2-yl)pyridine)-zinc(ii)","","- C38 H24 N10 Zn -","- C38 H24 N10 Zn -","- C76 H48 N20 Zn2 -","2","0.25","GA1020","Miguel Angel Harvey; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinato-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2003","59","7","m283","m285","10.1107/S0108270103011752","","","0.71073","MoKα","","0.1159","0.0376","","","0.0688","0.078","","","","","","0.862","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013445","10.4","0.002","12.81","0.003","16","0.003","90","","90","","90","","2131.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,3S)-1-monoamidocamphoric acid","(1S,3R)-3-Carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylic acid","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","GA1021","Huang, Wei; Qian, Hui-Fen; Chen, Yi-Hu; Gou, Shao-Hua; Li, Yi-Zhi","(1<i>R</i>,3<i>S</i>)-1-Monoamidocamphoric acid","Acta Crystallographica Section C","2003","59","8","o479","o480","10.1107/S0108270103013349","","","0.71073","MoKα","","0.0891","0.0461","","","0.0862","0.0957","","","","","","0.867","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013446","7.0626","0.0011","17.355","0.003","13.674","0.002","90","","95.958","0.004","90","","1667","0.5","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,8-dimethoxy-2,3-bis(2-pyridyl)quinoxaline","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","GA1023","Xiao-Jun Zhao; Miao Du","5,8-Dimethoxy-2,3-bis(2-pyridyl)quinoxaline","Acta Crystallographica Section C","2003","59","9","o496","o498","10.1107/S0108270103015750","","","0.71073","MoKα","","0.0586","0.0383","","","0.0964","0.1075","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013447","26.77","0.008","4.02","0.001","16.344","0.005","90","","114.077","0.005","90","","1605.8","0.8","203","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","7-Bromo-8-hydroxyquinoline","7-Bromo-8-hydroxyquinoline","","- C9 H6 Br N O -","- C9 H6 Br N O -","- C72 H48 Br8 N8 O8 -","8","1","GA1024","Collis, Gavin E.; Burrell, Anthony K.; John, Kevin D.; Plieger, Paul G.","7-Bromoquinolin-8-ol","Acta Crystallographica Section C","2003","59","8","o443","o444","10.1107/S0108270103013714","","","0.71073","MoKα","","0.0576","0.0492","","","0.122","0.127","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013448","13.6532","0.0003","13.6532","0.0003","52.696","0.002","90","","90","","90","","9823.1","0.5","120","1","120","1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H52 Cd4 Fe3 N27 -","- C34 H52 Cd4 Fe3 N27 -","- C272 H416 Cd32 Fe24 N216 -","8","0.25","GD1248","Miroslava Maľarová; Juraj Kuchár; Juraj Černák; Werner Massa","The three-dimensional coordination polymer tetraethylammonium (ethylenediamine)cadmium(II) hexacyanoferrate(III), (Et~4~N){[Cd(en)]~4~[Fe(CN)~6~]~3~}","Acta Crystallographica Section C","2003","59","7","m280","m282","10.1107/S0108270103010497","","","0.71073","MoKα","","0.027","0.0232","","","0.0622","0.0635","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013449","11.5053","0.0002","18.5095","0.0003","7.1941","0.0001","90","","106.933","0.001","90","","1465.62","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Ferrocenylisochromane","1-Ferrocenylisochroman","","- C19 H18 Fe O -","- C19 H18 Fe O -","- C76 H72 Fe4 O4 -","4","1","GD1251","Cetina, Mario; Đaković, Senka; Rapić, Vladimir; Golobič, Amalija","Ferrocene compounds. XXXIX. 1-Ferrocenylisochromane","Acta Crystallographica Section C","2003","59","8","m328","m330","10.1107/S0108270103011703","","","0.71073","MoKα","","0.0453","0.03","","","0.0698","0.076","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013450","12.264","0.0004","14.4674","0.0004","15.1532","0.0005","82.108","0.001","89.206","0.001","66.264","0.001","2435.32","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","gossypol‒cyclododecanone (1/2)","1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'- binaphthalene-8,8'-dicarboxaldehyde‒cyclododecanone (1/2)","","- C54 H74 O10 -","- C54 H74 O10 -","- C108 H148 O20 -","2","1","GD1253","Michael K. Dowd; Edwin D. Stevens","The gossypol‒cyclododecanone (1<b>/</b>2) inclusion complex","Acta Crystallographica Section C","2003","59","7","o397","o399","10.1107/S0108270103011089","","","0.71073","MoKα","","0.0781","0.0547","","","0.1492","0.1626","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013451","9.1517","0.0009","5.7886","0.0006","7.4034","0.0008","90","","90","","90","","392.2","0.07","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","hydronium perchlorate","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","GD1256","Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","Redetermination of hydronium perchlorate at 193 and 293K","Acta Crystallographica Section C","2003","59","9","i92","i94","10.1107/S0108270103010461","","","0.71073","MoKα","","0.0479","0.0448","","","0.1148","0.1169","","","","","","1.114","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013452","9.2343","0.0015","5.8178","0.0009","7.4606","0.0012","90","","90","","90","","400.81","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","hydronium perchlorate","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","GD1256","Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","Redetermination of hydronium perchlorate at 193 and 293K","Acta Crystallographica Section C","2003","59","9","i92","i94","10.1107/S0108270103010461","","","0.71073","MoKα","","0.0518","0.0467","","","0.1261","0.13","","","","","","1.161","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013453","7.72","0.0015","15.62","0.003","7.81","0.0016","90","","113.95","0.03","90","","860.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diaaqua-pyridine-2,3-dicarboxylate cobalt (II)","catena- [diaqua(pyridine-2,3-dicarboxylato-κ^4^N:O,O',O')cobalt(II)]","","- C7 H7 Co N O6 -","- C7 H7 Co N O6 -","- C28 H28 Co4 N4 O24 -","4","1","GD1261","Zhang, Hong-Tao; Xiao-Zeng You","A one-dimensional zigzag coordination polymer of diaqua(pyridine-2,3-dicarboxylato)cobalt(II)","Acta Crystallographica Section C","2003","59","8","m313","m314","10.1107/S0108270103012551","","","0.71073","MoKα","","0.0368","0.0227","","","0.057","0.0619","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013454","7.8435","0.0001","9.7218","0.0002","39.5921","0.0009","90","","90","","90","","3019.01","0.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","morphine di-(naphthalene-1-carboxylate)","","","- C39 H31 N O5 -","- C39 H31 N O5 -","- C156 H124 N4 O20 -","4","1","GD1262","Gathergood, Nicholas; Scammells, Peter J.; Fallon, Gary D.","Inter- and intramolecular C—H···π interactions in morphine bis(1-naphthoate)","Acta Crystallographica Section C","2003","59","9","o485","o487","10.1107/S0108270103015622","","","0.71073","MoKα","","0.1157","0.0506","","","0.0895","0.1117","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013455","6.941","0.003","7.277","0.003","26.418","0.01","90","","90","","90","","1334.4","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","GD1263","Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole","Acta Crystallographica Section C","2003","59","9","o516","o519","10.1107/S0108270103015713","","","0.71069","MoKα","","0.0386","0.0321","","","0.0806","0.0821","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013456","12.027","0.013","10.706","0.014","31.76","0.03","90","","102.11","0.08","90","","3998","8","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","3-phenylanthranil","3-Phenyl-2,1-benzoxazole","","- C13 H9 N O -","- C13 H9 N O -","- C208 H144 N16 O16 -","16","2","GD1263","Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole","Acta Crystallographica Section C","2003","59","9","o516","o519","10.1107/S0108270103015713","","","0.71073","MoKα","","0.1526","0.0535","","","0.0909","0.1234","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013457","21.627","0.004","3.804","0.001","11.605","0.002","90","","90","","90","","954.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(3-pyridyl)-1,3,8-triazanaphthalene","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","GD1264","Jan Janczak; Ryszard Kubiak","2-(3-Pyridyl)-1,3,8-triazanaphthalene, a product of the catalytic transformation of 3-cyanopyridine","Acta Crystallographica Section C","2003","59","9","o506","o508","10.1107/S0108270103015701","","","0.71073","MoKα","","0.0945","0.0505","","","0.0681","0.075","","","","","","0.991","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013458","6.8603","0.001","11.248","0.002","12.804","0.003","90","","100.29","0.013","90","","972.1","0.3","146","2","146","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ferricenyltrifluoroborate","","- C10 H9 B F3 Fe -","- C10 H9 B F3 Fe -","- C40 H36 B4 F12 Fe4 -","4","1","GD1265","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","The twinned structure of ferricenyltrifluoroborate","Acta Crystallographica Section C","2003","59","9","m355","m357","10.1107/S0108270103016895","","","0.71073","MoKα","","0.0872","0.0663","","","0.1189","0.1273","","","","","","1.296","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013459","6.341","0.002","8.6092","0.001","13.083","0.002","76.011","0.01","84.03","0.02","78.26","0.02","677.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N4 O2 -","- C13 H13 Cl N4 O2 -","- C26 H26 Cl2 N8 O4 -","2","1","GG1165","Çoruh, Ufuk; Kahveci, Bahittin; Şaşmaz, Selami; Ag̃ar, Erbil; Youngme Kim; Erdönmez, Ahmet","C—H···O and C—H···π interactions in 1-acetyl-4-(<i>p</i>-chlorobenzylideneamino)-3-ethyl-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","Acta Crystallographica Section C","2003","59","8","o476","o478","10.1107/S010827010301326X","","","0.71073","MoKα","","0.0905","0.0487","","","0.1332","0.1442","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013460","10.942","0.004","11.63","0.004","12.906","0.004","104.615","0.006","93.419","0.006","93.292","0.006","1581.9","0.9","293","2","","","","","","","","","","4","P -1","-P 1","2","","2,3-Bis(2-pyridyl)-5-nitroquinoxaline","","- C18 H11 N5 O2 -","- C18 H11 N5 O2 -","- C72 H44 N20 O8 -","4","2","GG1166","Miao Du; Xiao-Jun Zhao","5-Nitro-2,3-bis(2-pyridyl)quinoxaline","Acta Crystallographica Section C","2003","59","7","o403","o405","10.1107/S0108270103012022","","","0.71073","MoKα","","0.099","0.046","","","0.0935","0.1083","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013461","7.4986","0.0001","13.0997","0.0002","29.5866","0.0006","90","","90","","90","","2906.27","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Potassium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)-(S)-aspartate N-(6-amino-3,4-dihydro-3-methyl- 5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartic acid 4.88(hydrate)","","- C18 H30.76 K N10 O16.88 -","- C18 H30.532 K N10 O16.883 -","- C72 H122.128 K4 N40 O67.532 -","4","1","GG1168","Cuesta, Rafael; Glidewell, Christopher; López, Rafael; Low, John N.","Potassium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartate <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartic acid 4.88-hydrate: a two-dimensional coordination polymer","Acta Crystallographica Section C","2003","59","8","m315","m318","10.1107/S0108270103013106","","","0.71073","MoKα","","0.0726","0.0518","","","0.1036","0.1144","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013462","10.7611","0.0004","8.0306","0.0003","34.9826","0.0017","90","","98.574","0.0015","90","","2989.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylamino-6-benzyloxypyrimidin-4(3H)-one","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","2","GG1169","Quesada, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","2-Benzylamino-6-benzyloxypyrimidin-4(3<i>H</i>)-one: hydrogen-bonded chains of rings linked into sheets by a π‒π-stacking interaction","Acta Crystallographica Section C","2003","59","7","o400","o402","10.1107/S0108270103011132","","","0.71073","MoKα","","0.106","0.0615","","","0.1268","0.1463","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013463","11.3625","0.0002","9.5848","0.0002","8.0433","0.0002","102.241","0.0008","94.2412","0.0011","97.7735","0.0011","843.41","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]diaquazinc(II) dihydrate","","- C10 H18 N8 O10 Zn -","- C10 H18 N8 O10 Zn -","- C20 H36 N16 O20 Zn2 -","2","1","GG1171","López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher","Bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato]diaquazinc(II) dihydrate, redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2003","59","7","m291","m293","10.1107/S0108270103011168","","","0.71073","MoKα","","0.0332","0.0276","","","0.0822","0.1016","","","","","","1.212","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013464","9.7139","0.0002","9.5846","0.0002","12.6431","0.0002","90","","103.447","0.0013","90","","1144.85","0.04","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 1","","- C12 H13 N3 O S -","- C12 H13 N3 O S -","- C48 H52 N12 O4 S4 -","4","1","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0431","0.0348","","","0.0867","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013465","11.4629","0.0002","10.2603","0.0002","20.9303","0.0004","90","","107.092","0.0014","90","","2352.95","0.08","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 2 'C12 H13 N3 O S'","","- C24 H25.95 N6.05 O2.05 S2 -","- C24 H25.95 N6.05 O2.05 S2 -","- C96 H103.8 N24.2 O8.2 S8 -","4","1","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0608","0.0465","","","0.1116","0.1193","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013466","10.5035","0.0003","10.8741","0.0003","11.8261","0.0004","109.651","0.0013","96.4203","0.0014","93.7181","0.0014","1256.49","0.07","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","4-Amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1H)-one","","- C12 H12 N4 O2 S -","- C12 H12 N4 O2 S -","- C48 H48 N16 O8 S4 -","4","2","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0609","0.0437","","","0.0986","0.1071","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013467","15.747","0.002","5.1044","0.0007","15.501","0.003","90","","105.286","0.005","90","","1201.9","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine","","- C12 H13 N3 O S -","- C12 H13 N3 O S -","- C48 H52 N12 O4 S4 -","4","1","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0926","0.0768","","","0.1481","0.1545","","","","","","1.217","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013468","5.4199","0.0001","5.5479","0.0001","7.7147","0.0002","90","","90.092","0.002","90","","231.972","0.008","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ca2 Mg O6 W -","- Ca2 Mg O6 W -","- Ca4 Mg2 O12 W2 -","2","0.5","","Yang, Jae Ho; Choo, Woong Kil; Lee, Chang Hee","Ca~2~MgWO~6~ from neutron and X-ray powder data","Acta Crystallographica, Section C","2003","59","","i86","i88","10.1107/S0108270103011934","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013470","13.319","0.003","4.0359","0.0008","10.105","0.002","90","","91.27","0.03","90","","543.1","0.2","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","manganese antimony diselenide iodide","manganese antimony diselenide iodide","","- I Mn Sb Se2 -","- I Mn Sb Se2 -","- I4 Mn4 Sb4 Se8 -","4","0.5","IZ1033","Tougait, Olivier; Ibers, James A.; Mar, Arthur","Manganese antimony diselenide iodide, MnSbSe~2~I","Acta Crystallographica Section C","2003","59","8","i77","i78","10.1107/S0108270103014082","","","0.71073","MoKα","","0.0275","0.0264","","","0.07","0.0705","","","","","","1.373","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013471","12.002","0.0004","14.563","0.0009","18.526","0.002","90","","92.882","0.005","90","","3234","0.4","122","1","122","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","mer-trichloronitridobis(triphenylarsine)ruthenium(VI)","mer-trichloronitridobis(triphenylarsine)ruthenium(VI)","","- C36 H30 As2 Cl3 N Ru -","- C36 H30 As2 Cl3 N Ru -","- C144 H120 As8 Cl12 N4 Ru4 -","4","0.5","JZ1564","Magnus Magnussen; Jesper Bendix","The <i>trans</i> influence in <i>mer</i>-trichloronitridobis(triphenylarsine)ruthenium(VI)","Acta Crystallographica Section C","2003","59","9","m342","m344","10.1107/S0108270103015014","","","0.71073","MoKα","","0.028","0.0216","","","0.049","0.052","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013472","11.138","0.002","13.57","0.003","14.57","0.003","90","","90","","90","","2202.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,7-dibromo-2-hydroxy-6-isopropyl-2,4,6-cycloheptatrien-1-one","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C80 H80 Br16 O16 -","8","1","JZ1565","Steyl, Gideon; Roodt, Andreas","3,7-Dibromohinokitiol: a redetermination","Acta Crystallographica Section C","2003","59","9","o525","o527","10.1107/S0108270103016548","","","0.71073","MoKα","","0.07","0.037","","","0.093","0.106","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013473","26.483","0.005","34.102","0.007","10.483","0.002","90","","90","","90","","9467","3","100","1","100","1","","","","","","","","4","F d d 2","F 2 -2d","43","1,1,1-tris(4-hydroxyphenyl)methane‒bipyridine (1/1)","4,4',4''-methanetriyltriphenol‒bipyridine (1/1)","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C464 H384 N32 O48 -","16","1","JZ1567","Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski","Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine","Acta Crystallographica Section C","2003","59","8","o481","o484","10.1107/S0108270103014288","","","0.71073","MoKα","","0.0516","0.0428","","","0.0912","0.0948","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013474","12.326","0.003","18.573","0.004","7.4961","0.0015","90","","114.36","0.03","90","","1563.3","0.7","100","1","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","tris(4-hydroxyphenyl)methane","4,4',4''-methanetriyltriphenol","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","JZ1567","Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski","Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine","Acta Crystallographica Section C","2003","59","8","o481","o484","10.1107/S0108270103014288","","","0.71073","MoKα","","0.0442","0.0387","","","0.097","0.1007","","","","","","1.215","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013475","10.8449","0.001","7.3649","0.0009","11.1537","0.0017","90","","90.182","0.008","90","","890.86","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-Bromo-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-4H- pyrazolo[3,4-d]pyrimidin-4-one","","- C13 H19 Br F N5 O6 -","- C13 H19 Br F N5 O6 -","- C26 H38 Br2 F2 N10 O12 -","2","1","LN1167","He, Junlin; Eickmeier, Henning; Seela, Frank","6-Amino-3-bromo-1-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)-1,5-dihydro-4<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4-one‒acetone‒water (1/1/1): a fluorinated 2'-deoxyguanosine analogue with the sugar conformation of a ribonucleoside","Acta Crystallographica Section C","2003","59","7","o406","o408","10.1107/S0108270103011430","","","0.71073","MoKα","","0.0458","0.0417","","","0.1166","0.1242","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013476","3.8798","0.0003","8.9183","0.0006","12.6224","0.0011","69.426","0.003","83.093","0.004","79.189","0.004","400.93","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,7-dimethoxyimidazo[1,2-c]pyrimidine","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C16 H18 N6 O4 -","2","1","LN1168","Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson","The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-<i>c</i>]pyrimidine and 7-methoxy-1-methylimidazo[1,2-<i>a</i>]pyrimidin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2003","59","7","o363","o366","10.1107/S0108270103010266","","","0.71073","MoKα","","0.0891","0.0525","","","0.1188","0.1336","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013477","8.5917","0.0006","6.7484","0.0005","14.3054","0.0014","90","","91.648","0.003","90","","829.09","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-methoxy-1-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","1","LN1168","Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson","The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-<i>c</i>]pyrimidine and 7-methoxy-1-methylimidazo[1,2-<i>a</i>]pyrimidin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2003","59","7","o363","o366","10.1107/S0108270103010266","","","0.71073","MoKα","","0.1351","0.0519","","","0.0999","0.1219","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013478","8.9402","0.0002","17.2777","0.0005","11.3437","0.0004","90","","90","","90","","1752.22","0.09","100","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H15 N O4 S2 -","- C18 H15 N O4 S2 -","- C72 H60 N4 O16 S8 -","4","1","LN1169","Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.","1,1-Bis(phenylsulfonyl)-1-(pyridinio)methanide","Acta Crystallographica Section C","2003","59","7","o376","o377","10.1107/S0108270103010655","","","0.71073","MoKα","","","0.0556","","","","0.1162","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013479","10.342","0.004","13.328","0.007","11.956","0.009","90","","90","","90","","1648","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Samaderine-B","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","LN1170","Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan","Samaderin B and C from <i>Samadera indica</i>","Acta Crystallographica Section C","2003","59","8","o416","o418","10.1107/S0108270103011983","","","1.54178","CuKα","","0.112","0.0741","","","0.1783","0.2075","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013480","7.5278","0.0016","12.418","0.003","18.037","0.004","90","","90","","90","","1686.1","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Samaderine-C","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","LN1170","Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan","Samaderin B and C from <i>Samadera indica</i>","Acta Crystallographica Section C","2003","59","8","o416","o418","10.1107/S0108270103011983","","","1.54178","CuKα","","0.038","0.0326","","","0.0994","0.1033","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013481","13.3375","0.0005","8.9992","0.0003","15.5637","0.0004","90","","90","","90","","1868.06","0.11","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(2,6-dioxo-1,4,7,11,14-pentaazacycloheptadecanato)copper(II) tetrahydrate","","- C12 H31 Cu N5 O6 -","- C12 H31 Cu N5 O6 -","- C48 H124 Cu4 N20 O24 -","4","1","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","1.54178","CuKα","","0.0406","0.0401","","","0.1031","0.1038","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013482","12.098","0.009","20.337","0.014","8.134","0.005","90","","103.68","0.05","90","","1944","2","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(3,16-dioxo-1-oxa-4,8,11,15-tetraazacycloheptadecanato)copper(II) pentahydrate","","- C12 H32 Cu N4 O8 -","- C12 H32 Cu N4 O8 -","- C48 H128 Cu4 N16 O32 -","4","1","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","0.71073","MoKα","","0.0652","0.0428","","","0.0942","0.1011","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013483","7.4905","0.0006","16.116","0.0009","7.6404","0.0004","90","","107.553","0.005","90","","879.38","0.1","293","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(3,16-dioxo-1-thia-4,8,11,15-tetraazacycloheptadecanato)copper(II) trihydrate","","- C12 H28 Cu N4 O5 S -","- C12 H28 Cu N4 O5 S -","- C24 H56 Cu2 N8 O10 S2 -","2","0.5","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","1.54178","CuKα","","0.0502","0.047","","","0.1297","0.1328","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013484","7.5846","0.0003","22.4477","0.001","7.5989","0.0003","90","","106.306","0.001","90","","1241.72","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-3-dimethylamino-N-(4-methylphenyl) acrylamide","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","1","NA1594","M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun","Supramolecular structures of 2-cyano-3-dimethylamino-<i>N</i>-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-<i>N</i>-(2-methoxyphenyl)acrylamide","Acta Crystallographica Section C","2003","59","7","o394","o396","10.1107/S0108270103009764","","","0.71073","MoKα","","0.0779","0.057","","","0.1523","0.1691","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013485","7.5141","0.0003","12.758","0.0006","13.9381","0.0006","90","","92.795","0.001","90","","1334.58","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-3-dimethylamino-N-(2-methoxyphenyl) acrylamide","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","NA1594","M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun","Supramolecular structures of 2-cyano-3-dimethylamino-<i>N</i>-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-<i>N</i>-(2-methoxyphenyl)acrylamide","Acta Crystallographica Section C","2003","59","7","o394","o396","10.1107/S0108270103009764","","","0.71073","MoKα","","0.0639","0.0479","","","0.1402","0.1516","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013486","7.085","0.003","12.064","0.005","19.583","0.005","90","","91.54","0.03","90","","1673.2","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2R,2''S,3'bS,4'aR,7'bS,8'aR)-perhydrodispiro[furan-2,3'- dicyclopenta[a,e]pentalene-7',2''-furan]-5,5''-dione","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","NA1610","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha","Precursors to dodecahedrane","Acta Crystallographica Section C","2003","59","7","o373","o375","10.1107/S0108270103010825","","","1.5418","CuKα","","0.1159","0.0512","","","0.1192","0.143","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013487","9.415","0.008","10.739","0.002","15.332","0.003","90","","92.58","0.04","90","","1548.6","1.4","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(3aR,3bR,4aR,4bS,5aS,8aR,8bR,9aR,9bS,10aS)- perhydrodipentaleno[2,1-a:2',1'-e]pentalene-1,6-dione","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","0.5","NA1610","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha","Precursors to dodecahedrane","Acta Crystallographica Section C","2003","59","7","o373","o375","10.1107/S0108270103010825","","","1.5418","CuKα","","0.0524","0.0404","","","0.0979","0.1086","","","","","","1.055","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013488","26.3","0.004","9.469","0.002","17.44","0.002","90","","117.69","0.01","90","","3845.8","1.1","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(4-Dimethylamino-benzylidene)-(3,5-bis(2-Pyridyl)-1,2,4-triazol-4-yl)amine","","- C21 H19 N7 -","- C21 H19 N7 -","- C168 H152 N56 -","8","1","NA1615","Bruno, Giuseppe; Nicoló, Francesco; Puntoriero, Fausto; Giuffrida, Gaetano; Ricevuto, Vittorio; Rosace, Giuseppe","4-[4-(Dimethylamino)benzylideneamino]-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2003","59","7","o390","o391","10.1107/S0108270103011697","","","0.71073","MoKα","","0.0612","0.0323","","","0.0713","0.0761","","","","","","0.793","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013489","9.3815","0.0008","9.4096","0.0008","15.1968","0.0013","72.124","0.002","83.169","0.002","67.423","0.002","1178.91","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 N6 Ni O5 S2 -","- C22 H22 N6 Ni O5 S2 -","- C44 H44 N12 Ni2 O10 S4 -","2","1","OB1117","Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","[2,6-Bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>](dimethylformamide-κ<i>O</i>)(thiosulfato-κ^2^<i>O</i>,<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","2003","59","8","m299","m301","10.1107/S0108270103008667","","","0.71073","MoKα","","0.0549","0.0389","","","0.0822","0.109","","","","","","0.87","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013490","15.355","0.004","8.321","0.002","8.264","0.002","90","","92.12","0.01","90","","1055.2","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4-[N,N-bis(2-cyanoethyl)amino]pyridine","3,3'-(4-pyridylimino)dipropanenitrile","","- C11 H12 N4 -","- C11 H12 N4 -","- C44 H48 N16 -","4","0.5","OB1120","Ni Jun; Li, Yi-Zhi; Qi, Wen-Bin; Liu, Yong-Jiang; Chen, Hui-Lan; Wang, Zhi-Lin","4-[<i>N,N</i>-Bis(2-cyanoethyl)amino]pyridine","Acta Crystallographica Section C","2003","59","8","o470","o472","10.1107/S0108270103012630","","","0.71073","MoKα","","0.0473","0.044","","","0.0925","0.0937","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013491","5.9425","0.0018","12.436","0.002","14.999","0.002","90","","90","","90","","1108.4","0.4","298","2","298","2","","","","","","","","3","P b c m","-P 2c 2b","57","","cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic acid","","- C10 H12 O8 -","- C10 H12 O8 -","- C40 H48 O32 -","4","0.5","OB1124","Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami","<i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride","Acta Crystallographica Section C","2003","59","8","o435","o438","10.1107/S0108270103013362","","","1.54178","CuKα","","0.047","0.0407","","","0.1087","0.113","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013492","13.591","0.002","9.306","0.002","7.711","0.003","90","","90","","90","","975.3","0.5","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic dianhydride","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","1","OB1124","Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami","<i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride","Acta Crystallographica Section C","2003","59","8","o435","o438","10.1107/S0108270103013362","","","1.54178","CuKα","","0.0433","0.0385","","","0.1052","0.1095","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013493","25.248","0.002","7.1136","0.0007","13.1993","0.0009","90","","90","","90","","2370.6","0.3","293","1","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H20 Fe N6 O22 -","- C12 H20 Fe N6 O22 -","- C48 H80 Fe4 N24 O88 -","4","0.5","OB1127","Kazumasa Honda; Hiroshi Yamawaki; Makoto Matsukawa; Midori Goto; Takehiro Matsunaga; Katsutoshi Aoki; Masatake Yoshida; Shuzo Fujiwara","Hexaaquairon(II) dipicrate dihydrate","Acta Crystallographica Section C","2003","59","8","m319","m321","10.1107/S0108270103013301","","","0.7107","MoKα","","","0.0332","","","","0.0746","","","","","","1.272","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013494","11.733","0.002","12.212","0.003","11.501","0.003","103.79","0.02","96.89","0.02","70.82","0.01","1510","0.6","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium 2,2,6,6-Tetramethylpiperidinyloxy-4-hydroxy-4-sulfonate","","- C33 H37 N O5 P S -","- C33 H37 N O5 P S -","- C66 H74 N2 O10 P2 S2 -","2","1","OB1128","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi","Tetraphenylphosphonium 4-hydroxy-2,2,6,6-tetramethylpiperidinyloxy-4-sulfonate","Acta Crystallographica Section C","2003","59","8","o433","o434","10.1107/S0108270103012824","","","0.7107","MoKα","","0.099","0.0583","","0.056","","0.0512","","","","","","1.1898","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013495","13.283","0.002","14.153","0.002","13.452","0.002","90","","105.252","0.002","90","","2439.8","0.6","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","ChaASC","Ascidiacyclamide analogue (Ile1 was replaced with Cha) cyclo(-Cha-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz-) Cha=cyclohexylalanine from dimethylacetamide solution","","- C43 H69 N9 O9 S2 -","- C43 H69 N9 O9 S2 -","- C86 H138 N18 O18 S4 -","2","1","OB1130","Akiko Asano; Takeshi Yamada; Atsushi Numata; Mitsunobu Doi","cyclo(-Cha‒Oxz‒<small>D</small>-Val‒Thz‒Ile‒Oxz‒<small>D</small>-Val‒Thz-) <i>N,N</i>-dimethylacetamide dihydrate: a square form of cyclohexylalanine-incorporated ascidiacyclamide having the strongest cytotoxicity","Acta Crystallographica Section C","2003","59","9","o488","o490","10.1107/S0108270103014495","","","0.71073","MoKα","","0.0568","0.0506","","","0.1316","0.1371","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013496","10.98","0.002","16.575","0.003","11.64","0.002","90","","95.51","0.01","90","","2108.6","0.7","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H51 Cd N11 O18 -","- C34 H51 Cd N11 O18 -","- C68 H102 Cd2 N22 O36 -","2","1","OB1131","Smith, Christopher B.; Lincoln, Stephen F.; Taylor, Max R.; Wainwright, Kevin P.","Λ-{1,4,7,10-Tetrakis[(<i>S</i>)-2-hydroxypropyl-κ<i>O</i>]-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>}cadmium(II) bis(2,4,6-trinitrophenolate) acetonitrile solvate","Acta Crystallographica Section C","2003","59","9","m358","m360","10.1107/S0108270103016007","","","0.71073","MoKα","","0.024","0.023","","0.057","","0.057","","","1.234","","","1.236","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013497","21.6815","0.0003","8.6127","0.0001","19.7231","0.0002","90","","101.626","0.0005","90","","3607.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(o-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde","N-(2-chlorphenyl)-2,5-dimethylpyrrole-3-carbaldehyde","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C156 H144 Cl12 N12 O12 -","12","3","SK1632","Jukić, Marijana; Cetina, Mario; Vorkapić-Furač, Jasna; Golobič, Amalija; Nagl, Ante","<i>N</i>-(<i>o</i>-Chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde","Acta Crystallographica Section C","2003","59","7","o357","o359","10.1107/S0108270103009272","","","0.71073","MoKα","","0.0873","0.0555","","","0.1391","0.1586","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013498","6.1283","0.0003","17.2964","0.0007","22.4659","0.0006","90","","90","","90","","2381.33","0.16","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-{2-[(2R,4R)-4-hydroxy-6-oxo-3,4,5,6- tetrahydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydronaphthalin-1-yl 2,2-dimethylbutanoate","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","SK1633","Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr","Simvastatin","Acta Crystallographica Section C","2003","59","8","o428","o430","10.1107/S0108270103012514","","","0.71073","MoKα","","0.0804","0.0715","","0.09","0.0844","0.0844","","","","","","1.1183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013499","11.392","0.002","13.97","0.0018","9.2771","0.0013","97.705","0.011","109.95","0.012","109.492","0.011","1256","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","1","SK1639","Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi","<i>rac</i>- and <i>meso</i>-3,3'-Bis(3,5-dimethylphenyl)-3<i>H</i>,3'<i>H</i>-2,2'-biindenylidene-1,1'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2003","59","7","o370","o372","10.1107/S0108270103010308","","","0.7107","MoKα","","","0.0495","","","","0.1542","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013500","19.23","0.002","8.0506","0.001","8.4461","0.0011","90","","98.802","0.01","90","","1292.2","0.3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","0.5","SK1639","Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi","<i>rac</i>- and <i>meso</i>-3,3'-Bis(3,5-dimethylphenyl)-3<i>H</i>,3'<i>H</i>-2,2'-biindenylidene-1,1'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2003","59","7","o370","o372","10.1107/S0108270103010308","","","0.7107","MoKα","","","0.0543","","","","0.1945","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013501","7.5558","0.0002","13.4054","0.0001","20.0304","0.0003","90","","90","","90","","2028.85","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,6'-Dimethoxy-2,2'-[(1R,2R)-cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","SK1640","Mohamed, E. Mothi; Muralidharan, Samraj; Panchanatheswaran, Krishnaswamy; Ramesh, Rengan; Low, John N.; Glidewell, Christopher","6,6'-Dimethoxy-2,2'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol: three C—H···O hydrogen bonds generate a three-dimensional framework","Acta Crystallographica Section C","2003","59","7","o367","o369","10.1107/S0108270103010205","","","0.71073","MoKα","","0.0387","0.0352","","","0.082","0.0841","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013502","9.9496","0.0008","36.295","0.003","7.0643","0.0006","90","","90","","90","","2551.1","0.4","150","1","150","1","","","","","","","","5","F m m 2","F 2 -2","42","","Hexamethylenetetramine‒ferrocenecarboxylic acid (1/2)","","- C28 H32 Fe2 N4 O4 -","- C28 H32 Fe2 N4 O4 -","- C112 H128 Fe8 N16 O16 -","4","0.25","SK1641","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups <i>Fmm</i>2 and <i>Cmcm</i>","Acta Crystallographica Section C","2003","59","7","m271","m274","10.1107/S010827010301031X","","","0.71073","MoKα","","0.054","0.0442","","","0.0948","0.0994","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013503","10.0096","0.0004","7.1396","0.0002","24.2841","0.0008","90","","90","","90","","1735.45","0.1","150","1","150","1","","","","","","","","5","C m c m","-C 2c 2","63","","Hexamethylenetetramine‒ferrocene-1,1'-dicarboxylic acid (1/1)","","- C18 H22 Fe N4 O4 -","- C18 H22 Fe N4 O4 -","- C72 H88 Fe4 N16 O16 -","4","0.25","SK1641","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups <i>Fmm</i>2 and <i>Cmcm</i>","Acta Crystallographica Section C","2003","59","7","m271","m274","10.1107/S010827010301031X","","","0.71073","MoKα","","0.0454","0.0316","","","0.0663","0.0729","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013504","6.9572","0.0005","8.1499","0.0007","10.4564","0.001","99.8","0.002","101.05","0.002","99.54","0.002","561.21","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4(5H)-one","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C22 H24 N4 O6 S2 -","2","1","SK1642","Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka","2-Aminothiazole and 2-aminothiazolinone derivatives","Acta Crystallographica Section C","2003","59","9","o502","o505","10.1107/S0108270103015580","","","0.71073","MoKα","","0.0316","0.0293","","","0.0752","0.0777","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013505","8.174","0.0005","22.8266","0.0012","9.03","0.0005","90","","116.444","0.001","90","","1508.57","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethyl 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxylate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","2","SK1642","Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka","2-Aminothiazole and 2-aminothiazolinone derivatives","Acta Crystallographica Section C","2003","59","9","o502","o505","10.1107/S0108270103015580","","","0.71073","MoKα","","0.0646","0.0527","","","0.129","0.1389","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013506","13.0678","0.0003","8.7475","0.0002","17.6106","0.0005","90","","90.513","0.0011","90","","2013","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,8,11-Tetraazoniacyclotetradecane tetrakis-phenylphosphonate dihydrate","","- C34 H56 N4 O14 P4 -","- C34 H56 N4 O14 P4 -","- C68 H112 N8 O28 P8 -","2","0.5","SK1643","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","1,4,8,11-Tetraazoniacyclotetradecane tetrakis(phenylphosphonate) dihydrate forms hydrogen-bonded sheets","Acta Crystallographica Section C","2003","59","8","o461","o463","10.1107/S010827010301182X","","","0.71073","MoKα","","0.0415","0.0328","","","0.0802","0.0852","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013507","27.366","0.002","32.347","0.002","4.8818","0.0003","90","","90","","90","","4321.4","0.5","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","","4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1-)]","","- C17 H24 N2 O10 P2 -","- C17 H24 N2 O10 P2 -","- C136 H192 N16 O80 P16 -","8","0.5","SK1644","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1‒)]: a three-dimensional framework structure built from O—H···O, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","8","o464","o466","10.1107/S0108270103011818","","","0.71073","MoKα","","0.0715","0.0441","","","0.0905","0.1027","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013508","8.501","0.004","8.369","0.004","15.403","0.006","90","","92.463","0.006","90","","1094.8","0.8","193.15","","193.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-poly[[bis(dicyanamido)zinc(II)]-di-μ-bis(1,2,4-triazol-1-yl)ethane- κ~4~N4:N4']","","- C16 H16 N18 Zn -","- C16 H16 N18 Zn -","- C32 H32 N36 Zn2 -","2","0.5","SK1645","Baolong Li; Baozong Li; Xia Zhu; Liming Zhu; Yong Zhang","The infinite double-stranded chain polymer <i>catena</i>-poly[[bis(dicyanamido)zinc(II)]-di-μ-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^4^<i>N</i>^4^:<i>N</i>^4'^]","Acta Crystallographica Section C","2003","59","9","m350","m351","10.1107/S0108270103012435","","","0.7107","MoKα","","0.0302","0.0275","","","0.0614","0.0627","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013509","9.8769","0.0001","24.8789","0.0003","5.7335","0.0001","90","","90","","90","","1408.87","0.03","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-naphthyloxymethylcarbonyl)piperidine","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","SK1646","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o422","o425","10.1107/S0108270103012332","","","0.71073","MoKα","","0.0474","0.0352","","","0.0838","0.0898","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013510","20.9438","0.0004","20.9438","0.0004","13.9169","0.0002","90","","90","","90","","6104.55","0.19","160","2","160","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","3-Methyl-N-(2-naphthyloxymethylcarbonyl)piperidine","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C288 H336 N16 O32 -","16","1","SK1646","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o422","o425","10.1107/S0108270103012332","","","0.71073","MoKα","","0.0361","0.031","","","0.0809","0.0845","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013511","10.5594","0.0002","9.2956","0.0002","14.1012","0.0003","90","","109.092","0.0009","90","","1307.99","0.05","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2-Naphthyloxymethylcarbonyl)morpholine","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","SK1649","Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o467","o469","10.1107/S0108270103013258","","","0.71073","MoKα","","0.0833","0.0509","","","0.1289","0.1475","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013512","13.756","0.0003","12.7389","0.0002","8.5031","0.0002","90","","90","","90","","1490.05","0.05","160","2","160","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(2-Naphthyloxymethylcarbonyl)-4-methylpiperazine","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","SK1649","Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o467","o469","10.1107/S0108270103013258","","","0.71073","MoKα","","0.0532","0.0393","","","0.0885","0.0951","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013513","7.7235","0.0005","19.0625","0.0009","13.8907","0.0013","90","","90","","90","","2045.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Teuctosin","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","SK1651","S.Soundarya Devi; R.Malathi; S.S.Rajan; S.Arvind; G.N.Krishnakumari; K.Ravikumar","A new clerodane diterpene with antifeedant activity from <i>Teucrium tomentosum</i>","Acta Crystallographica Section C","2003","59","9","o530","o532","10.1107/S0108270103017050","","","0.71073","MoKα","","0.0451","0.0407","","","0.1107","0.1152","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013514","14.7434","0.0005","8.1274","0.0002","13.2487","0.0004","90","","106.712","0.0012","90","","1520.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Iodoanilinium 3-nitrophthalate(1-)","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C56 H44 I4 N8 O24 -","4","1","SK1653","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Iodoanilinium 3-nitrophthalate(1‒): tripartite sheets built from O—H···O and N—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","9","o509","o511","10.1107/S0108270103014434","","","0.71073","MoKα","","0.0405","0.0294","","","0.0633","0.0677","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013515","8.0029","0.001","5.4952","0.0005","10.928","0.0015","90","","96.84","0.005","90","","477.17","0.1","293","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-aminopyridinium hydrogen maleate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","SK1655","Lah, Nina; Leban, Ivan","4-Aminopyridinium hydrogen maleate","Acta Crystallographica Section C","2003","59","9","o537","o538","10.1107/S010827010301727X","","","0.71073","MoKα","","0.029","0.026","","","0.056","0.058","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013516","5.2813","0.0001","8.7367","0.0002","12.9843","0.0003","80.4656","0.0014","81.4302","0.0012","83.883","0.001","582.17","0.02","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","SK1656","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D.P.; Piplani, P.; Linden, Anthony","1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one: an antiamnesic agent","Acta Crystallographica Section C","2003","59","9","o514","o515","10.1107/S0108270103014823","","","0.71073","MoKα","","0.0558","0.0427","","","0.116","0.1262","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013517","11.825","0.011","8.195","0.008","20.097","0.011","90","","95.16","0.003","90","","1940","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[hexa(nicotinato)tricadmium(II) tetrahydrate]","","- C36 H32 Cd3 N6 O16 -","- C36 H32 Cd3 N6 O16 -","- C72 H64 Cd6 N12 O32 -","2","0.5","SK1659","Chen Hong-Ji","Polymeric hexa-μ-nicotinato-tricadmium(II) tetrahydrate","Acta Crystallographica Section C","2003","59","9","m371","m372","10.1107/S0108270103016731","","","0.71073","MoKα","","0.0531","0.0486","","","0.1309","0.1349","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013518","12.897","0.001","12.897","0.001","8.0078","0.0008","90","","90","","90","","1332","0.2","293","2","293","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","2-Nitrimino-1-nitroimidazolidine","","- C3 H5 N5 O4 -","- C3 H5 N5 O4 -","- C24 H40 N40 O32 -","8","1","SK1660","Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","2-Nitrimino-1-nitroimidazolidine","Acta Crystallographica Section C","2003","59","9","o499","o501","10.1107/S0108270103015671","","","1.5418","CuKα","","0.033","0.0285","","","0.076","0.0786","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013519","9.3994","0.001","14.4249","0.0015","14.8129","0.0015","90","","90","","90","","2008.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Rotenone α-oxime","1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)- [1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6H)-one oxime","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","SQ1014","Yang, Shi-Ping; Yu, Xi-Bin; Huang, Ji-Guang; Xu, Han-Hong","Rotenone α-oxime","Acta Crystallographica Section C","2003","59","7","o392","o393","10.1107/S010827010301117X","","","0.71073","MoKα","","0.1001","0.0643","","","0.1585","0.176","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013520","19.01","0.09","7.694","0.016","8.72","0.02","90.04","0.003","90.003","0.005","89.994","0.005","1275","7","105","2","105","2","","","","","","","","6","P 1","P 1","1","baryum nitroprusside trihydrate","","","- C5 H6 Ba Fe N6 O4 -","- C5 H6 Ba Fe N6 O4 -","- C20 H24 Ba4 Fe4 N24 O16 -","4","4","SQ1015","G. Chevrier; J.M. Kiat; J. Guida; A. Navaza","An ordered low-temperature phase of barium nitroprusside trihydrate studied by neutron diffraction","Acta Crystallographica Section C","2003","59","7","i59","i62","10.1107/S0108270103010199","","neutron","1.548","neutron","","0.0843","0.0782","","","0.087","0.0874","","","","","","3.748","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013521","11.6693","0.0015","7.979","0.0008","17.5818","0.0013","90","","90.673","0.009","90","","1636.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","SQ1018","Jianxing Zhang; Shou-Feng Chen; Kevin K. Klausmeyer; Robert R. Kane","(<i>E</i>)-1-(2-Hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene","Acta Crystallographica Section C","2003","59","7","o381","o382","10.1107/S0108270103010667","","","0.71073","MoKα","","0.0574","0.0502","","0.1335","","0.1281","","","1.103","","","1.159","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013522","12.502","0.0002","17.204","0.0003","21.34","0.0003","90","","93.094","0.0011","90","","4583.21","0.13","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Co^II^~3~(DADIT)~3~](Cl)(PF~6~)~2~","","","- C30 H63 Cl Co3 F12 N6 P2 S3 -","- C30 H63 Cl Co3 F12 N6 P2 S3 -","- C120 H252 Cl4 Co12 F48 N24 P8 S12 -","4","1","SQ1019","Shearer, Jason; Kaminsky, Werner; Kovacs, Julie, A.","A chloride ion contained in a cobalt `claw': [Co~3~(DADIT)~3~]Cl(PF~6~)~2~","Acta Crystallographica Section C","2003","59","9","m379","m380","10.1107/S0108270103013593","","","0.7107","MoKα","","0.0569","0.0386","","","0.0955","0.1036","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013523","10.3816","0.0003","18.6749","0.0006","14.8264","0.0004","90","","94.517","0.002","90","","2865.55","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Zn~3~(H~2~O)~2~(C~9~H~4~O~6~)~2~(C~10~H~8~N~2~)]","","","- C28 H18 N2 O14 Zn3 -","- C28 H18 N2 O14 Zn3 -","- C112 H72 N8 O56 Zn12 -","4","0.5","SQ1022","Shi, Zhan; Hou, Ying; Hua, Jia; Li, Guanghua; Feng, Shouhua","Polymeric diaquabis[μ~4~-1,3,5-benzenetricarboxylato(3‒)](μ-4,4'-bipyridine)trizinc(II)","Acta Crystallographica Section C","2003","59","8","m337","m338","10.1107/S0108270103014252","","","0.71073","MoKα","","0.0451","0.0281","","","0.0667","0.0684","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013524","8.4499","0.0001","9.2595","0.0002","16.2911","0.0004","90","","100.339","0.0008","90","","1253.95","0.04","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","erbium mellitate","catena-Poly[[bis[pentaaquaerbium(III)]-μ-benzenehexacarboxylato] tetrahydrate]","","- C12 H28 Er2 O26 -","- C12 Er2 O26 -","- C24 Er4 O52 -","2","0.5","TA1398","Deluzet, André; Guillou, Olivier","<i>catena</i>-Poly[[bis[pentaaquaerbium(III)]-μ-benzenehexacarboxylato] tetrahydrate]","Acta Crystallographica Section C","2003","59","7","m277","m279","10.1107/S010827010300341X","","","0.71073","MoKα","","0.053","0.037","","","0.085","0.093","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013525","5.062","0.0002","5.223","0.0003","16.006","0.0009","90","","90","","90","","423.18","0.04","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","caesium lithium sulfate","","- Cs1.15 Li2.85 O8 S2 -","- Cs1.15 Li2.85 O8 S2 -","- Cs2.3 Li5.7 O16 S4 -","2","0.5","TA1399","Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli","New crystals in the lithium sulfate family","Acta Crystallographica Section C","2003","59","7","i67","i70","10.1107/S0108270103004785","","","0.71073","MoKα","","0.0445","0.0444","","","0.1324","0.1325","","","","","","1.069","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013526","5.053","0.0002","5.199","0.0004","15.984","0.0008","90","","90.297","0.003","90","","419.9","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","caesium lithium rubidium sulfate","","- Cs0.9 Li2.88 O8 Rb0.22 S2 -","- Cs0.9 Li2.88 O8 Rb0.22 S2 -","- Cs1.8 Li5.76 O16 Rb0.44 S4 -","2","1","TA1399","Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli","New crystals in the lithium sulfate family","Acta Crystallographica Section C","2003","59","7","i67","i70","10.1107/S0108270103004785","","","0.71073","MoKα","","0.0264","0.025","","","0.0673","0.0825","","","","","","1.216","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013527","7.4019","0.0011","12.762","0.003","14.2535","0.0011","90","","90","","90","","1346.4","0.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H4 Ho K N6 O2 Ru -","- C6 H8 Ho K N6 O4 Ru -","- C24 H32 Ho4 K4 N24 O16 Ru4 -","4","0.25","TA1406","Kautz, Jason A.; Symes, R. Cameron","Polymeric potassium diaquahexa-μ-cyano-holmium(III)ruthenium(II) dihydrate","Acta Crystallographica Section C","2003","59","9","i89","i91","10.1107/S0108270103013350","","","0.71073","MoKα","","0.0215","0.018","","","0.0401","0.041","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013528","12.264","0.003","10.111","0.002","22.65","0.005","90","","96.89","0.03","90","","2788.3","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","di-μ-fumatato-bis(o-phenanthroline)dicobalt(II)","","- C32 H20 Co2 N4 O8 -","- C32 H20 Co2 N4 O8 -","- C128 H80 Co8 N16 O32 -","4","1","TA1410","Jian-Fang Ma; Jin Yang; Jing-Fu Liu","A novel cobalt(II) coordination polymer containing the fumarate anion and <i>o</i>-phenanthroline","Acta Crystallographica Section C","2003","59","8","m304","m306","10.1107/S0108270103012101","","","0.71073","MoKα","","0.0336","0.0275","","","0.0769","0.0858","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013529","10.406","0.001","14.479","0.002","21.421","0.003","90","","90","","90","","3227.5","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al3 Br9 N6 -","- C12 H18 Al3 Br9 N6 -","- C48 H72 Al12 Br36 N24 -","4","1","TA1411","Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Pentaacetonitrilebromoaluminium(III) bis[tetrabromoaluminium(III)] acetonitrile solvate","Acta Crystallographica Section C","2003","59","7","m289","m290","10.1107/S0108270103011429","","","0.71073","MoKα","","0.058","0.029","","0.032","","0.027","","","0.966","","","0.986","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013530","13.774","0.002","11.233","0.002","24.595","0.004","90","","99.792","0.002","90","","3750","1.1","153","2","153","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","2","TA1412","Rozek, Tomas; Bowie, John H.; Skelton, Brian W.; White, Allan H.","11-Hydroxy-3,3-dimethyl-7,12-dioxo-3,4,6,6a,7,12,12a,12b-octahydrobenz[<i>a</i>]anthracen-1-yl acetate","Acta Crystallographica Section C","2003","59","8","o431","o432","10.1107/S0108270103013374","","","0.71073","MoKα","","0.053","0.044","","0.047","","0.046","","","1.069","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013531","9.882","0.011","10.705","0.006","41.553","0.017","90","","90","","90","","4396","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N-benzhydrylamino)carbonylmethyl N-benzyloxycarbonyl-α-aminoisobutyrylprolylvalinate monohydrate","","- C43 H57 N5 O9 -","- C43 H57 N5 O9 -","- C172 H228 N20 O36 -","4","1","TR1055","Geßmann,Renate; Norbert Schiemann; Brückner,Hans; Petratos, Kyriacos","The tetrapeptide Z-Leu-Aib-Pro-Val-OBg monohydrate","Acta Crystallographica Section C","2003","59","8","o413","o415","10.1107/S0108270103010291","","","1.54178","CuKα","","0.1055","0.0613","","","0.1566","0.184","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013532","12.6929","0.0012","6.1566","0.0006","7.8385","0.0007","90","","104.419","0.002","90","","593.25","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","silver xanthate","(O-ethyl dithiocarbonato)silver(I)","","- C3 H5 Ag O S2 -","- C3 H5 Ag O S2 -","- C12 H20 Ag4 O4 S8 -","4","1","TR1062","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed","Polymeric (<i>O</i>-ethyl dithiocarbonato)silver(I)","Acta Crystallographica Section C","2003","59","7","m265","m267","10.1107/S0108270103010175","","","0.71073","MoKα","","0.0442","0.0386","","","0.0892","0.0917","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013533","15.24","0.003","11.424","0.002","7.667","0.0015","90","","96.79","0.03","90","","1325.5","0.4","298.4","0.2","298.4","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[diaquapyridinenickel(II)]- μ-pyridine-2,3-dicarboxylato-κ^3^N,O^2^:O^3^]","","- C12 H12 N2 Ni O6 -","- C12 H12 N2 Ni O6 -","- C48 H48 N8 Ni4 O24 -","4","1","TR1063","Zhang, Hong-Tao; Chen, Ya-Qing; Xu, Li; You, Xiao-Zeng","A one-dimensional zigzag coordination polymer: <i>catena</i>-poly[[diaquapyridinenickel(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^]","Acta Crystallographica Section C","2003","59","9","m373","m375","10.1107/S0108270103014422","","","0.71073","MoKα","","0.121","0.0447","","","0.0841","0.1029","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013534","8.75","0.002","18.39","0.004","30.485","0.006","90","","91.49","0.03","90","","4903.8","1.8","293","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co N9 S3 -","- C18 H24 Co N9 S3 -","- C144 H192 Co8 N72 S24 -","8","2","AV1141","Jaćimović, Željko K.; Tomić, Zoran D.; Gerald Giester; Leovac, Vukadin M","Tris(3,5-dimethyl-1<i>H</i>-pyrazole-1-thiocarboxamidato-κ^2^<i>N</i>^2^,<i>N</i>)cobalt(III)","Acta Crystallographica Section C","2003","59","10","m381","m383","10.1107/S0108270103016755","","","0.71073","MoKα","","","0.0512","","","","0.1414","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013535","8.3027","0.0017","24.083","0.005","8.5884","0.0017","90","","103.92","0.03","90","","1666.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorotris(dimethyl sulfide-κS)platinum(II) hexafluorophosphate","","- C6 H18 Cl F6 P Pt S3 -","- C6 H18 Cl F6 P Pt S3 -","- C24 H72 Cl4 F24 P4 Pt4 S12 -","4","1","AV1144","Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke","Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II)","Acta Crystallographica Section C","2003","59","11","m432","m434","10.1107/S0108270103020225","","","0.71073","MoKα","","0.0552","0.0323","","","0.0758","0.0807","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013536","8.5981","0.0004","23.9384","0.001","8.3852","0.0003","90","","104.235","0.001","90","","1672.89","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bromotris(dimethyl sulfide-κS)platinum(II) hexafluorophosphate","","- C6 H18 Br F6 P Pt S3 -","- C6 H18 Br F6 P Pt S3 -","- C24 H72 Br4 F24 P4 Pt4 S12 -","4","1","AV1144","Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke","Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II)","Acta Crystallographica Section C","2003","59","11","m432","m434","10.1107/S0108270103020225","","","0.71073","MoKα","","0.0909","0.0449","","","0.0866","0.0959","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013537","8.4717","0.0006","17.0289","0.001","8.5571","0.0007","90","","112.784","0.006","90","","1138.15","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dichlorobis(imidazolidin-2-one-κO)zinc(II)","Zinc(II) dichloro bis(2-imidazolidinone)","","- C6 H12 Cl2 N4 O2 Zn -","- C6 H12 Cl2 N4 O2 Zn -","- C24 H48 Cl8 N16 O8 Zn4 -","4","1","AV1145","Larry R. Falvello; Eva M. Miqueleiz; Tatiana Soler; Milagros Tomás","Dichlorobis(imidazolidin-2-one-κ<i>O</i>)zinc(II) at 150K","Acta Crystallographica Section C","2003","59","11","m442","m445","10.1107/S0108270103020195","","","0.71073","MoKα","","0.0387","0.0291","","","0.063","0.0668","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013538","13.069","0.003","25.602","0.005","22.991","0.005","90","","92.66","0.03","90","","7684","3","293","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","Tris(μ~2~-chloro)-bis(tripod)-diruthenium(II) hexafluorophosphate ethanol solvate","Tri-μ-chloro-bis{[1,1,1-tris(diphenylphosphinomethyl)ethane- κ^3^P,P',P'']ruthenium(II)} hexafluorophosphate ethanol solvate","","- C84 H84 Cl3 F6 O P7 Ru2 -","- C84 H84 Cl3 F6 O P7 Ru2 -","- C336 H336 Cl12 F24 O4 P28 Ru8 -","4","1","AV1146","Seok, Won K.; Zhang, Li J.; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Mayer, Peter","A trichloro-bridged binuclear ruthenium complex with 1,1,1-tris(diphenylphosphinomethyl)ethane","Acta Crystallographica Section C","2003","59","11","m439","m441","10.1107/S0108270103020432","","","0.71073","MoKα","","0.046","0.033","","","0.055","0.057","","","","","","0.887","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013539","16.4","0.003","10.174","0.002","17.016","0.003","90","","95.5","0.03","90","","2826.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetrakis(5-methyl-1H-imidazole-κN^3^)copper(II) trifluoromethanesulfonate","","- C18 H24 Cu F6 N8 O6 S2 -","- C18 H24 Cu F6 N8 O6 S2 -","- C72 H96 Cu4 F24 N32 O24 S8 -","4","1","AV1148","Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng","The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates","Acta Crystallographica Section C","2003","59","12","m512","m515","10.1107/S0108270103021061","","","0.71073","MoKα","","0.1068","0.0411","","","0.0862","0.1027","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013540","15.408","0.003","12.627","0.003","20.38","0.004","90","","104.37","0.03","90","","3841","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","aquatetrakis(2-ethyl-5-methyl-1H-imidazole-κN^3^)copper(II) trifluoromethanesulfonate","","- C26 H42 Cu F6 N8 O7 S2 -","- C26 H42 Cu F6 N8 O7 S2 -","- C104 H168 Cu4 F24 N32 O28 S8 -","4","1","AV1148","Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng","The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates","Acta Crystallographica Section C","2003","59","12","m512","m515","10.1107/S0108270103021061","","","0.71073","MoKα","","0.1777","0.0635","","","0.1229","0.155","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013541","7.6488","0.0015","18.732","0.004","8.6668","0.0017","90","","112.11","0.03","90","","1150.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[dichlorocadmium(II)]-di-μ-1,1'-(1,4-butanediyl)diimidazole]","","- C20 H28 Cd Cl2 N8 -","- C20 H28 Cd Cl2 N8 -","- C40 H56 Cd2 Cl4 N16 -","2","0.5","AV1149","Ma, Jian-Fang; Yang, Jin; Liu, Jing-Fu","A novel Cd^II^ coordination polymer with 1,1'-(1,4-butanediyl)diimidazole","Acta Crystallographica Section C","2003","59","11","m482","m483","10.1107/S0108270103022443","","","0.71073","MoKα","","0.031","0.022","","","0.064","0.066","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013542","6.6855","0.0002","13.2221","0.0003","9.9254","0.0003","90","","102.543","0.0008","90","","856.43","0.04","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Cu N4 O6 -","- C12 H12 Cl2 Cu N4 O6 -","- C24 H24 Cl4 Cu2 N8 O12 -","2","0.5","AV1150","Xuan, Richeng; Li, Meichao; Wan, Yuehua","Bis(2-chloro-5-methylpyridine-κ<i>N</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2003","59","11","m462","m464","10.1107/S010827010302198X","","","0.71073","MoKα","","","0.028","","","","0.072","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013543","7.743","0.001","14.94","0.003","6.523","0.001","90","","90","","90","","754.6","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","2-Chloro-4,6-dimethoxy-1,3,5-triazine","","- C5 H6 Cl N3 O2 -","- C5 H6 Cl N3 O2 -","- C20 H24 Cl4 N12 O8 -","4","0.5","AV1154","Natalya Fridman; Moshe Kapon; Menahem Kaftory","2-Chloro-4,6-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o685","o686","10.1107/S0108270103024569","","","0.71073","MoKα","","0.0526","0.0305","","","0.0712","0.0748","","","","","","0.894","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013544","10.244","0.002","9.208","0.003","11.615","0.003","90","","99.7","0.03","90","","1079.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","AV1155","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Derivatives of 2,4-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o687","o689","10.1107/S0108270103024570","","","0.71073","MoKα","","0.148","0.0632","","","0.1351","0.1588","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013545","7.386","0.002","9.718","0.002","9.868","0.002","108.73","0.02","93.36","0.02","109.67","0.02","620.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(4,6-dimethoxy-1,3,5-triazin-2-yloxy)-2-methylphenol","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C24 H26 N6 O8 -","2","1","AV1155","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Derivatives of 2,4-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o687","o689","10.1107/S0108270103024570","","","0.7107","MoKα","","0.0669","0.0418","","","0.1189","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013546","32.61","0.006","13.757","0.003","15.904","0.003","90","","111.56","0.02","90","","6636","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)phenyl phenyl ketone","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C288 H240 N48 O64 -","16","2","AV1155","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Derivatives of 2,4-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o687","o689","10.1107/S0108270103024570","","","0.71073","MoKα","","0.081","0.0385","","","0.0928","0.1","","","","","","0.854","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013547","9.4424","0.00005","9.4424","0.00005","110.079","0.0007","90","","90","","120","","8499.63","0.08","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cs6 Mo27 S31 -","- Cs6 Mo27 S31 -","- Cs36 Mo162 S186 -","6","0.166667","BC1009","Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.","Cs~6~Mo~27~S~31~: a novel ternary reduced molybdenum sulfide containing Mo~9~ and Mo~18~ clusters","Acta Crystallographica Section C","2003","59","11","i112","i114","10.1107/S0108270103006243","","","0.71069","MoKα","","0.0421","0.0266","","","0.0447","0.0479","","","","","","1.122","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013548","12.2692","0.0012","20.057","0.002","12.282","0.0013","90","","113.803","0.011","90","","2765.3","0.5","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cd3 Cl9 H30 O15 Yb -","- Cd3 Cl9 H30 O15 Yb -","- Cd12 Cl36 H120 O60 Yb4 -","4","1","BC1020","Yahyaoui, Samia; Ben Hassen, Rached; Donnadieu, Bruno; Daran, Jean Claude; Ben Salah, Abdelhamid","[Yb(H~2~O)~8~][Cd~3~Cl~9~(H~2~O)]·6H~2~O","Acta Crystallographica Section C","2003","59","11","i109","i111","10.1107/S0108270103015877","","","0.71073","MoKα","","0.027","0.0268","","","0.064","0.0641","","","","","","1.292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013549","6.8691","0.0016","8.96","0.002","4.7168","0.0011","90","","101.73","0.018","90","","284.24","0.11","280","1","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","diyttrium disilicate","","- O7 Si2 Y2 -","- O7 Si2 Y2 -","- O14 Si4 Y4 -","2","0.25","BC1023","Redhammer, Günther J.; Roth, Georg; .","β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K","Acta Crystallographica Section C","2003","59","10","i103","i106","10.1107/S0108270103018869","","","0.71073","MoKα","","","0.019","","","","0.045","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013550","6.8667","0.0016","8.959","0.002","4.7167","0.0011","90","","101.724","0.018","90","","284.11","0.11","100","1","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O7 Si2 Y2 -","- O7 Si2 Y2 -","- O14 Si4 Y4 -","2","0.25","BC1023","Redhammer, Günther J.; Roth, Georg; .","β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K","Acta Crystallographica Section C","2003","59","10","i103","i106","10.1107/S0108270103018869","","","0.71073","MoKα","","","0.021","","","","0.048","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013551","4.1537","0.0007","4.1537","0.0007","6.862","0.002","90","","90","","120","","102.53","0.04","150","2","150","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Mg -","- I2 Mg -","- I2 Mg -","1","0.0833333","BC1028","Brogan, Michael A.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","Magnesium diiodide, MgI~2~","Acta Crystallographica Section C","2003","59","12","i136","i138","10.1107/S0108270103025769","","","0.71073","MoKα","","0.0209","0.0208","","","0.0627","0.0628","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013552","15.3857","0.0003","5.8668","0.0001","11.954","0.0003","90","","104.985","0.002","90","","1042.33","0.04","120","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","BM1540","Cox, Philip J.; MacManus, Stephen M.","5-Chloro-2-hydroxybenzophenone, featuring O—H···O, C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section C","2003","59","10","o603","o604","10.1107/S0108270103019656","","","0.71073","MoKα","","","0.034","","","","0.092","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013553","11.3902","0.0002","13.9774","0.0001","18.0502","0.0002","90","","104.134","0.001","90","","2786.69","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 Cl6 N2 O6 Zr -","- C56 H64 Cl6 N2 O6 Zr -","- C112 H128 Cl12 N4 O12 Zr2 -","2","0.5","BM1541","Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.","A zirconium zwitterion containing a caged amine H atom","Acta Crystallographica Section C","2003","59","11","m494","m496","10.1107/S0108270103022595","","","0.71073","MoKα","","0.055","0.041","","","0.105","0.115","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013554","7.6066","0.0009","8.7846","0.0009","9.3316","0.0011","99.918","0.004","95.556","0.004","101.534","0.005","596.23","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl6 N4 O4 -","- C20 H16 Cl6 N4 O4 -","- C20 H16 Cl6 N4 O4 -","1","0.5","BM1542","Kennedy, Alan R.; Waterson, Fraser R. N.","4,4'-(Azinodimethylene)dipyridinium chloranilate dichloromethane disolvate","Acta Crystallographica Section C","2003","59","11","o613","o615","10.1107/S010827010302050X","","","0.71073","MoKα","","0.136","0.0582","","","0.121","0.151","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013555","31.548","0.002","11.8574","0.0009","15.6654","0.0011","90","","112.364","0.002","90","","5419.3","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H20.8 N3 O5.9 S -","- C16 H16.3 N3 O5.90533 S -","- C192 H195.6 N36 O70.864 S12 -","12","3","BM1543","Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Teat, Simon J.; Vrcelj, Ranko M.","Cephalexin: a channel hydrate","Acta Crystallographica Section C","2003","59","11","o650","o652","10.1107/S0108270103022649","","","0.6891","Synchrotron","","0.0984","0.074","","","0.1825","0.1929","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013556","3.6204","0.0011","5.7446","0.0017","8.775","0.003","90.271","0.005","91.97","0.005","105.776","0.005","175.5","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Poly[sodium(I)-μ~6~-hydrogen benzene-1,4-dicarboxylato]","","- C8 H5 Na O4 -","- C8 H5 Na O4 -","- C8 H5 Na O4 -","1","0.5","BM1544","Dale, Sophie H.; Elsegood, Mark R. J.","Poly[sodium(I)-μ~6~-hydrogen benzene-1,4-dicarboxylato]","Acta Crystallographica Section C","2003","59","11","m475","m477","10.1107/S0108270103022509","","","0.71073","MoKα","","0.031","0.028","","","0.083","0.085","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013557","36.706","0.003","4.913","0.0004","12.364","0.005","90","","98.808","0.004","90","","2203.4","0.9","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H18 N4 O6 S -","- C26 H18 N4 O6 S -","- C104 H72 N16 O24 S4 -","4","1","BM1545","Cox, Philip J.; Wardell, James L.","4,4'-Sulfonylbis[<i>N</i>-(4-nitrophenylmethylene)benzenamine]: whole-molecule disorder","Acta Crystallographica Section C","2003","59","12","o706","o708","10.1107/S0108270103025149","","","0.6934","synchrotron","","","0.0416","","","","0.1066","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013558","11.619","0.003","7.342","0.002","18.124","0.003","90","","92.202","0.019","90","","1545","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-amino-1-phenyltetrazole","","- C7 H7 N5 -","- C7 H7 N5 -","- C56 H56 N40 -","8","2","BM1546","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A.","Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole","Acta Crystallographica Section C","2003","59","12","o690","o693","10.1107/S0108270103024442","","","0.71073","MoKα","","0.0634","0.0465","","","0.1272","0.1447","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013559","12.176","0.005","7.3611","0.0018","11.699","0.003","90","","93.85","0.03","90","","1046.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-amino-1-(1-naphthyl)tetrazole","","- C11 H9 N5 -","- C11 H9 N5 -","- C44 H36 N20 -","4","1","BM1546","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A.","Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole","Acta Crystallographica Section C","2003","59","12","o690","o693","10.1107/S0108270103024442","","","0.71073","MoKα","","0.0812","0.0617","","","0.1785","0.2069","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013560","21.203","0.004","7.468","0.002","22.123","0.005","90","","108.947","0.015","90","","3313.2","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(μ-di-2-pyridylamine 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate","Bis(μ-di-2-pyridylamine 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate","","- C28 H22 Cu2 F6 N8 O6 -","- C28 H22 Cu2 F6 N8 O6 -","- C112 H88 Cu8 F24 N32 O24 -","4","0.5","DE1219","Zeng, Xi-Rui; Fang, Xiao-Niu; Peng, Shie-Ming; Lin, Hsiu-Mei","Bis(μ-di-2-pyridylaminato 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate","Acta Crystallographica Section C","2003","59","11","m497","m498","10.1107/S010827010302064X","","","0.71073","MoKα","","0.0605","0.0327","","","0.084","0.0951","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013561","5.909","0.002","9.706","0.003","13.184","0.005","102.02","0.03","94.39","0.03","106.39","0.03","702.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,6-Diphenylthiapyran-4-one","2,6-Diphenylthiapyran-4-one","","- C17 H16 O S -","- C17 H16 O S -","- C34 H32 O2 S2 -","2","1","DE1222","Narasimhamurthy, T.; Benny, J. C. N.; Pandiarajan, K.; Rathore, Ravindranath S.","Herring-bone π‒π interactions in <i>trans</i>-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one","Acta Crystallographica Section C","2003","59","11","o620","o621","10.1107/S0108270103019577","","","1.5418","CuKα","","0.059","0.057","","","0.16","0.16","","","","","","1.234","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013562","22.826","0.007","6.971","0.002","16.593","0.005","90","","90","","90","","2640.3","1.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Chlorobis[N'-ethoxycarbonyl-N-(4-methylphenyl)thiourea-κS]copper(I)","","- C22 H28 Cl Cu N4 O4 S2 -","- C22 H28 Cl Cu N4 O4 S2 -","- C88 H112 Cl4 Cu4 N16 O16 S8 -","4","0.5","DE1224","Zhang, You-Ming; Xian, Liang; Wei, Tai-Bao","Chlorobis[<i>N</i>'-ethoxycarbonyl-<i>N</i>-(4-methylphenyl)thiourea-κ<i>S</i>]copper(I)","Acta Crystallographica Section C","2003","59","11","m473","m474","10.1107/S0108270103022285","","","0.71073","MoKα","","0.116","0.059","","","0.131","0.161","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013563","6.6915","0.0017","7.1211","0.0012","18.551","0.004","90","","90","","90","","884","0.3","203","2","203","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté","","- C4 H6 Cl2 Cu N6 O -","- C4 H6 Cl2 Cu N6 O -","- C16 H24 Cl8 Cu4 N24 O4 -","4","0.5","DN1028","Guédira, Fouzia; Saidi Idrissi, Malika; Krautscheid, Harald; El Ammari, Lahcen","μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté","Acta Crystallographica Section C","2003","59","12","m530","m532","10.1107/S0108270103021516","","","0.71073","MoKα","","0.02","0.0184","","","0.0465","0.0472","","","","","","1.094","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013564","6.5737","0.0001","12.0671","0.0002","21.5206","0.0005","90","","90.0815","0.0007","90","","1707.13","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aluminium piperazinium sulfate decahydrate","Hexaaquaaluminium hemi(piperidin-1,4-diium) bis(sulfate) tetrahydrate","","- C4 H32 Al2 N2 O36 S4 -","- C4 H52 Al2 N2 O36 S4 -","- C8 H104 Al4 N4 O72 S8 -","2","0.5","DN1030","Bataille, Thierry","Hemi(piperazinediium) hexaaquaaluminium(III) bis(sulfate) tetrahydrate: a new double aluminium sulfate salt","Acta Crystallographica Section C","2003","59","11","m459","m461","10.1107/S0108270103021243","","","0.71073","MoKα","","0.0578","0.0384","","","0.0944","0.1045","","","","","","1.066","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2013565","9.1673","0.0003","9.0698","0.0002","9.8939","0.0003","90","","93.8823","0.0017","90","","820.75","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","dichloroneophylphenylstannane","Dichloro(2-methyl-2-phenylpropyl)phenylstannane","","- C16 H18 Cl2 Sn -","- C16 H18 Cl2 Sn -","- C32 H36 Cl4 Sn2 -","2","1","DN1033","Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K","Acta Crystallographica Section C","2003","59","12","m526","m529","10.1107/S0108270103024272","","","0.71073","MoKα","","0.0284","0.026","","","0.0615","0.0627","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013566","9.2966","0.0003","9.3763","0.0003","9.6898","0.0003","90","","93.01","0.002","90","","843.47","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","dibromoneophylphenylstannane","Dibromo(2-methyl-2-phenylpropyl)phenylstannane","","- C16 H18 Br2 Sn -","- C16 H18 Br2 Sn -","- C32 H36 Br4 Sn2 -","2","1","DN1033","Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K","Acta Crystallographica Section C","2003","59","12","m526","m529","10.1107/S0108270103024272","","","0.71073","MoKα","","0.0275","0.0257","","","0.0604","0.0612","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013567","4.1614","0.001","9.391","0.002","21.571","0.003","90","","95.02","0.01","90","","839.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C8 H K N4 O2 -","- C8 H K N4 O2 -","- C32 H4 K4 N16 O8 -","4","1","FA1025","Tafeenko, Viktor A.; Kaukova, Olga V.; Peschar, Rene; Petrov, Aleksandr V.; Aslanov, Leonid A.","Potassium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2003","59","10","m421","m423","10.1107/S0108270103020158","","","0.71073","MoKα","","0.051","0.037","","","0.089","0.095","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013568","5.5322","0.0006","9.1505","0.0013","9.8235","0.0008","90","","108.189","0.007","90","","472.44","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-dioxopiperazine-1,4-diacetic acid","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C16 H20 N4 O12 -","2","0.5","FA1026","Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Cabral, Lucia M. L.; Rocha Gonsalves, A. M. dA.","<i>R</i>_<b>4</b>^<b>4</b>(30) rectangular rings in 2,5-dioxopiperazine-1,4-diacetic acid","Acta Crystallographica Section C","2003","59","10","o562","o563","10.1107/S0108270103017803","","","0.71073","MoKα","","0.0729","0.0421","","","0.1034","0.1168","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013569","11.627","0.003","14.7157","0.0019","21.081","0.003","90","","90","","90","","3606.9","1.2","291","0.5","291","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","10,13,16,17-tetrahydroxy-9-methyl-15-oxo-20-nor-kauran-18-oic acid-γ-lactone","","- C40 H58 O13 -","- C40 H58 O13 -","- C160 H232 O52 -","4","1","FA1027","Mattia, Carlo Andrea; Braca, Alessandra; De Tommasi, Nunziatina; Puliti, Raffaella","A new norkaurane-γ-lactone from <i>Parinari sprucei</i>","Acta Crystallographica Section C","2003","59","11","o644","o646","10.1107/S0108270103019814","","","1.54178","CuKα","","0.0391","0.0322","","","0.0956","0.0984","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013570","26.717","0.004","7.4853","0.001","20.601","0.003","90","","117.906","0.009","90","","3640.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[[acetato(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ- dicyanamido-κ^2^N^1^:N^5^] trihydrate]","","- C16 H17 Cu N5 O5 -","- C16 H17 Cu N5 O5 -","- C128 H136 Cu8 N40 O40 -","8","1","FA1028","Wu, A.-Qing; Cai, Li-Zhen; Chen, Wen-Tong; Guo, Guo-Cong; Huang, Jin-Shun","A one-dimensional copper coordination polymer containing both dicyanamide and 1,10-phenanthroline ligands","Acta Crystallographica Section C","2003","59","11","m491","m493","10.1107/S0108270103023114","","","0.71073","MoKα","","0.077","0.055","","","0.123","0.138","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013571","6.7333","0.0009","12.6195","0.0016","19.827","0.003","90","","90","","90","","1684.7","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-Bi(2-methylphenylimino)-1,4-dithiacyclohexane","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C72 H72 N8 S8 -","4","0.5","FA1032","Li, Yi-Zhi; Liu, Wei-Wei; Li, Yan-Jie; Pan, Guo-Jun; Hu, Hong-Wen","2,3-Bis(2-methylphenylimino)-1,4-dithiacyclohexane","Acta Crystallographica Section C","2003","59","11","o611","o612","10.1107/S0108270103021000","","","0.71073","MoKα","","0.0839","0.058","","","0.1367","0.1465","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013572","4.6572","0.0013","10.9765","0.0014","18.1026","0.0017","90","","90.147","0.011","90","","925.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 S5 -","- C6 H6 S5 -","- C24 H24 S20 -","4","1","FA1033","Xue, Gang; Fang, Qi; Yu, Wentao","4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one","Acta Crystallographica Section C","2003","59","11","o653","o655","10.1107/S0108270103022662","","","0.71073","MoKα","","0.0684","0.0364","","","0.0733","0.0931","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013573","16.358","0.004","4.5009","0.0011","13.066","0.003","90","","108.736","0.015","90","","911","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H6 O S4 -","- C6 H6 O S4 -","- C24 H24 O4 S16 -","4","1","FA1033","Xue, Gang; Fang, Qi; Yu, Wentao","4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one","Acta Crystallographica Section C","2003","59","11","o653","o655","10.1107/S0108270103022662","","","0.71073","MoKα","","0.0594","0.044","","","0.0985","0.1067","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013574","10.3902","0.0016","16.751","0.003","18.96","0.003","90","","98.046","0.004","90","","3267.4","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-trifluoroacetato-μ~3~-oxo-bis[(2,2'-bipyridine- κ^2^N,N')(trifluoroacetato-κO)iron(III)]","","- C28 H16 F12 Fe2 N4 O9 -","- C28 H16 F12 Fe2 N4 O9 -","- C112 H64 F48 Fe8 N16 O36 -","4","1","FA1034","Bacsa, John; Zhao, Hanhua; Kim R. Dunbar","Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H","Acta Crystallographica Section C","2003","59","12","m561","m564","10.1107/S0108270103025691","","","0.71073","MoKα","","0.0651","0.0431","","","0.1069","0.1179","","","","","","1.035","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013575","12.733","0.003","19.015","0.004","22.222","0.004","90","","91.63","0.03","90","","5378","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(2,2'-bipyridine)di-μ~3~-oxo-hexa-μ-trifluoroacetato- bis(trifluoroacetato)tetrairon(III) trifluoroacetic acid solvate","","- C38 H17 F27 Fe4 N4 O20 -","- C38 H17 F27 Fe4 N4 O20 -","- C152 H68 F108 Fe16 N16 O80 -","4","1","FA1034","Bacsa, John; Zhao, Hanhua; Kim R. Dunbar","Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H","Acta Crystallographica Section C","2003","59","12","m561","m564","10.1107/S0108270103025691","","","0.71073","MoKα","","0.0868","0.0603","","","0.1244","0.1356","","","","","","1.069","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013576","8.2493","0.0007","9.4564","0.0007","9.705","0.0008","93.221","0.005","105.342","0.005","106.191","0.006","694.2","0.1","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)- 1,3,5-triazine","","- C13 H18 N8 -","- C13 H18 N8 -","- C26 H36 N16 -","2","1","FA1035","Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski","2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate","Acta Crystallographica Section C","2003","59","12","o696","o699","10.1107/S0108270103025058","","","0.71073","MoKα","","0.0392","0.0365","","","0.093","0.0961","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013577","22.503","0.0014","8.3217","0.0006","18.4269","0.0012","90","","94.667","0.005","90","","3439.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)- 1,3,5-triazine hemihydrate","","- C17 H21 N8 O0.5 -","- C17 H21 N8 O0.5 -","- C136 H168 N64 O4 -","8","1","FA1035","Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski","2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate","Acta Crystallographica Section C","2003","59","12","o696","o699","10.1107/S0108270103025058","","","0.71073","MoKα","","0.0968","0.0449","","","0.0777","0.0928","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013578","6.4917","0.0008","12.327","0.001","15.844","0.001","90","","90","","90","","1267.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine","","- C11 H15 B Br N O2 -","- C11 H15 B Br N O2 -","- C44 H60 B4 Br4 N4 O8 -","4","1","FG1698","Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain","2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, a new unexpected bifunctional building block for combinatorial chemistry","Acta Crystallographica Section C","2003","59","10","o596","o597","10.1107/S0108270103016767","","","0.71069","MoKα","","0.154","0.062","","","0.133","0.166","","","","","","0.966","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013579","37.6488","0.0015","37.6488","0.0015","9.6613","0.0008","90","","90","","120","","11859.6","1.2","105","2","105","2","","","","","","","","5","P 61","P 61","169","","L-Methionyl-L-alanine","","- C8 H16 N2 O3 S -","- C7.99157 H15.9759 N2 O3 S0.999714 -","- C335.646 H670.986 N84 O126 S41.988 -","42","7","FG1702","Görbitz, Carl Henrik","<small>L</small>-Methionyl-<small>L</small>-alanine: a dipeptide with hexagonal symmetry and <i>Z</i>' = 7","Acta Crystallographica Section C","2003","59","10","o589","o592","10.1107/S0108270103019280","","","0.71073","MoKα","","0.154","0.058","","","0.108","0.145","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013580","9.36","0.002","9.109","0.002","21.242","0.004","90","","98.78","0.03","90","","1789.9","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","2","FG1703","Itzia I. Padilla-Martínez; Efrén V. García-Báez; Herbert Höpfl; Francisco J. I. Martínez-Martínez","2-Amino-1,3-benzothiazole‒ethyl coumarin-3-carboxylate (1/1)","Acta Crystallographica Section C","2003","59","10","o544","o546","10.1107/S0108270103017207","","","0.71073","MoKα","","0.0763","0.0497","","","0.1174","0.1311","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013581","15.469","0.003","20.644","0.004","7.997","0.004","90","","90","","90","","2553.8","1.5","120","2","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","N,N'-bis(pyrrol-2-ylmethylene)propane-1,2-diamine","","- C13 H16 N4 -","- C13 H16 N4 -","- C104 H128 N32 -","8","1","FG1708","Munro, Orde Q.; Camp, Greville L.","Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer","Acta Crystallographica Section C","2003","59","12","o672","o675","10.1107/S0108270103023230","","","0.71073","MoKα","","","0.046","","","","0.123","","","","","","1.101","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013582","5.055","0.0003","22.9305","0.0007","6.5918","0.0004","90","","111.596","0.002","90","","710.44","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Diaquabis(imidazole-4,5-dicarboxylate-κ^2^N^3^,O)manganese(II)","","- C10 H10 Mn N4 O10 -","- C10 H10 Mn N4 O10 -","- C20 H20 Mn2 N8 O20 -","2","0.5","FG1711","Ma, Chengbing; Chen, Feng; Chen,Changneng; Liu, Qiutian","<i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4,5-dicarboxylate-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)","Acta Crystallographica Section C","2003","59","12","m516","m518","10.1107/S0108270103024338","","","0.71073","MoKα","","","0.0599","","","0.1403","0.1556","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013583","7.991","0.003","14.211","0.003","13.3274","0.0019","90","","105.501","0.017","90","","1458.4","0.7","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ap-9-(o-Methylphenyl)-9-fluorenol","","- C20 H16 O -","- C20 H16 O -","- C80 H64 O4 -","4","1","FG1712","Meyers, Cal Y.; Robinson, Paul D.; McLean, Aaron W.","<i>ap</i>-9-(<i>o</i>-Methylphenyl)-9-fluorenol, a structure exhibiting several aryl-H···π(arene) intermolecular interactions","Acta Crystallographica Section C","2003","59","12","o712","o714","10.1107/S0108270103023503","","","0.71069","MoKα","","0.077","0.035","","","0.088","0.104","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013584","6.7093","0.0009","15.336","0.003","20.21","0.003","90","","90","","90","","2079.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[(1,10-phenanthroline-κ^2^N,N')manganese(II)]-μ-L-tartrato- κ^2^O^1^:O^4^] hexahydrate]","","- C16 H24 Mn N2 O12 -","- C16 H24 Mn N2 O12 -","- C64 H96 Mn4 N8 O48 -","4","1","FR1417","Zhang, Xiaofeng; Huang Deguang; Chen Feng; Chen,Changneng; Liu, Qiutian; Sun, Licheng","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^] hexahydrate]","Acta Crystallographica Section C","2003","59","10","m402","m404","10.1107/S010827010301761X","","","0.71073","MoKα","","0.032","0.0282","","","0.0699","0.0737","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013585","10.136","0.003","14.867","0.004","10.238","0.003","90","","111.36","0.02","90","","1436.8","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-2-(1,2,3,4,4a,5,6,7,8,8aα-decahydro-4aβ,8α-dimethyl- 7-oxo-2β-naphthyl)propionic acid","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","FR1424","Thompson, Hugh W.; Lalancette, Roger A.","(‒)-2-(1,2,3,4,4a,5,6,7,8,8aα-Decahydro-4aβ,8α-dimethyl-7-oxo-2β-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid ζ-keto acid","Acta Crystallographica Section C","2003","59","10","o580","o582","10.1107/S0108270103018997","","","0.71073","MoKα","","0.117","0.055","","","0.097","0.12","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013586","6.1191","0.0018","7.168","0.002","33.449","0.01","90","","91.408","0.009","90","","1466.7","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","FR1427","Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R.","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and <i>N</i>,<i>N</i>-dimethyl-4-[(1<i>E</i>,3<i>E</i>)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine","Acta Crystallographica Section C","2003","59","11","o625","o628","10.1107/S0108270103020985","","","0.71073","MoKα","","0.081","0.0585","","","0.1332","0.1452","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013587","6.7383","0.001","10.3948","0.0016","12.8735","0.0019","79.933","0.008","81.754","0.008","84.103","0.008","875.8","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","1","FR1427","Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R.","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and <i>N</i>,<i>N</i>-dimethyl-4-[(1<i>E</i>,3<i>E</i>)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine","Acta Crystallographica Section C","2003","59","11","o625","o628","10.1107/S0108270103020985","","","0.71073","MoKα","","0.0874","0.0685","","","0.1706","0.187","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013588","11.9528","0.0013","8.091","0.0005","12.4205","0.0014","90","","108.268","0.009","90","","1140.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-Hydroxy-4-Nitrophenyl)aminomethylene]cyclohexa-3,5-dien-1(2H)-one","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","FR1431","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Erdönmez, Ahmet","2-[(2-Hydroxy-4-nitrophenyl)aminomethylene]cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2003","59","10","o601","o602","10.1107/S0108270103018456","","","0.71073","MoKα","","0.0472","0.0383","","","0.1048","0.1083","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013589","9.6807","0.0017","11.793","0.002","9.8373","0.0018","90","","106.11","0.003","90","","1079","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.047","0.04","","","0.098","0.103","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013590","10.6464","0.0007","10.7749","0.0007","20.854","0.0013","90","","90","","90","","2392.2","0.3","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.06","0.046","","","0.099","0.105","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013591","10.4437","0.0009","8.7029","0.0007","12.6147","0.0011","90","","101.801","0.002","90","","1122.32","0.16","208","2","208","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.057","0.044","","","0.104","0.111","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013592","9.2667","0.0017","12.1242","0.0015","21.099","0.019","90","","90","","90","","2371","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[tris(1H-benzimidazole-κN^3^)cobalt(II)]-μ-maleato-κ^3^O,O':O'']","","- C25 H20 Co N6 O4 -","- C25 H20 Co N6 O4 -","- C100 H80 Co4 N24 O16 -","4","1","FR1433","Xue, Yu-Hong; Xu, Duan-Jun; Gu, Jian-Ming","Helical <i>catena</i>-poly[[tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-maleato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2003","59","10","m387","m389","10.1107/S0108270103017785","","","0.71069","MoKα","","0.057","0.041","","","0.099","0.114","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013593","10.859","0.001","9.523","0.001","13.91","0.001","90","","93.18","0.01","90","","1436.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(μ-1,2-benzenethiolato)-1:2κ^3^S,S':S';2:1κ^3^S,S':S'- bis[(2,2'-bipyridine-κ^2^N,N')zinc(II)]","","- C32 H24 N4 S4 Zn2 -","- C32 H24 N4 S4 Zn2 -","- C64 H48 N8 S8 Zn4 -","2","0.5","FR1434","Hatch, Dana M.; Wacholtz, William F.; Mague, Joel T.","A dimeric heteroleptic five-coordinate zinc(II) complex containing a non-motionally restricted <i>N</i>,<i>N</i>'-heterocyclic ligand","Acta Crystallographica Section C","2003","59","11","m452","m453","10.1107/S0108270103017633","","","0.71073","MoKα","","0.027","0.0253","","","0.0641","0.0651","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013594","10.069","0.003","14.981","0.003","11.714","0.003","90","","100.17","0.02","90","","1739.2","0.8","296","","296","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","ap-9-(meta-tert-Butylphenyl)fluorene","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","FR1435","Robinson, Paul D.; McLean, Aaron W.; Meyers, Cal Y.","<i>ap</i>-9-(<i>meta</i>-<i>tert</i>-Butylphenyl)fluorene","Acta Crystallographica Section C","2003","59","10","o539","o540","10.1107/S0108270103017797","","","0.71069","MoKα","","0.071","0.037","","","0.095","0.109","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013595","6.754","0.001","5.725","0.001","21.078","0.004","90","","97.46","0.02","90","","808.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-cis-2-Methyl-4-oxocyclohexanecarboxylic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","FR1436","Lalancette, Roger A.; Thompson, Hugh W.","(±)-<i>cis</i>-2-Methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a δ-keto acid derived from Hagemann's ester","Acta Crystallographica Section C","2003","59","12","o679","o681","10.1107/S0108270103024545","","","0.71073","MoKα","","0.105","0.064","","","0.148","0.172","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013596","5.4302","0.0009","13.37","0.002","14.075","0.002","63.198","0.011","86.956","0.012","85.297","0.014","908.9","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(±)-2-Oxocyclohexanepropionic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","2","FR1439","Lalancette, Roger A.; Thompson, Hugh W.","(±)-2-Oxocyclohexanepropionic acid: dual conformational selection and hydrogen bonding in a δ-keto acid, and a two-phase technique for crystallizing acids by contact with aqueous solutions of their salts","Acta Crystallographica Section C","2003","59","11","o638","o640","10.1107/S0108270103020638","","","0.71073","MoKα","","0.089","0.052","","","0.126","0.145","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013597","16.6252","0.001","10.6287","0.0005","23.831","0.002","90","","95.484","0.005","90","","4191.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis[N,N'-bis(2-isopropylphenyl)pentane-2,4-diiminato]magnesium(II)","","- C46 H58 Mg N4 -","- C46 H58 Mg N4 -","- C184 H232 Mg4 N16 -","4","1","FR1440","Kennedy, Alan R.; Mair, Francis S.","A magnesium‒bis(diaryldiketiminate) complex","Acta Crystallographica Section C","2003","59","12","m549","m551","10.1107/S010827010302376X","","","0.71073","MoKα","","0.1124","0.0478","","","0.1018","0.1191","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013598","12.174","0.002","12.174","0.002","6.885","0.002","90","","90","","90","","1020.4","0.4","294","","","","","","","","","","","4","I -4","I -4","82","","tetraphenylarsonium iodide","","- C24 H20 As I -","- C24 H20 As I -","- C48 H40 As2 I2 -","2","0.25","GA1032","Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.","Tetraphenylarsonium iodide, a new determination","Acta Crystallographica Section C","2003","59","11","m484","m486","10.1107/S0108270103022650","","","0.71073","MoKα","","","0.022","","","","0.03","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013599","10.5565","0.0014","10.9994","0.0015","11.4194","0.0015","78.966","0.002","71.685","0.002","77.256","0.003","1217.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-crotonato-1:2κ^2^O:O')bis[(crotonato-κ^2^O,O')(1,10- phenanthroline-κ^2^N,N')yttrium(III)] dihydrate","","- C48 H50 N4 O14 Y2 -","- C48 H46 N4 O14 Y2 -","- C48 H46 N4 O14 Y2 -","1","0.5","GA1033","Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo","Three yttrium crotonate complexes with diimines","Acta Crystallographica Section C","2003","59","10","m416","m420","10.1107/S0108270103019073","","","0.71073","MoKα","","0.16","0.057","","","0.104","0.115","","","","","","0.864","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013600","10.6924","0.0014","10.906","0.0015","11.8528","0.0016","77.832","0.002","72.329","0.002","77.81","0.002","1271.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-crotonato-1:2κ^2^O:O')bis[(crotonato-κ^2^O,O')(4-methyl-1,10- phenanthroline-κ^2^N,N')yttrium(III)] dihydrate","","- C50 H54 N4 O14 Y2 -","- C50 H50 N4 O14 Y2 -","- C50 H50 N4 O14 Y2 -","1","0.5","GA1033","Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo","Three yttrium crotonate complexes with diimines","Acta Crystallographica Section C","2003","59","10","m416","m420","10.1107/S0108270103019073","","","0.71073","MoKα","","0.132","0.047","","","0.077","0.084","","","","","","0.83","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013601","38.108","0.004","8.851","0.001","25.539","0.003","90","","126.26","0.01","90","","6945.9","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(μ-crotonato-1:2κ^2^O:O')bis[bis(aqua-κO)(crotonato- κ^2^O,O')(yttrium(III)] 2,2'-bipyridylamine tetrasolvate","","- C64 H74 N12 O16 Y2 -","- C64 H74 N12 O16 Y2 -","- C256 H296 N48 O64 Y8 -","4","0.5","GA1033","Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo","Three yttrium crotonate complexes with diimines","Acta Crystallographica Section C","2003","59","10","m416","m420","10.1107/S0108270103019073","","","0.71073","MoKα","","0.076","0.042","","","0.088","0.094","","","","","","0.878","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013602","9.5032","0.0005","21.4599","0.001","11.7601","0.0007","90","","113.791","0.001","90","","2194.5","0.2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","O-(2-tert-butyl-6-dimethylcarbonothioyl-4-methyl-phenyl) dimethylthiocarbamoate dichloromethane solvate.","","- C18 H28 Cl2 N2 O S2 -","- C18 H28 Cl2 N2 O S2 -","- C72 H112 Cl8 N8 O4 S8 -","4","1","GD1269","Castillo, Ivan; Flores-Figueroa, Aarón; Hernández-Ortega, Simón","<i>O</i>-(2-<i>tert</i>-Butyl-6-dimethylthiocarbamoyl-4-methylphenyl) <i>N</i>,<i>N</i>-dimethylthiocarbamate dichloromethane solvate","Acta Crystallographica Section C","2003","59","10","o577","o579","10.1107/S010827010301905X","","","0.71073","MoKα","","0.0873","0.0607","","","0.1533","0.1667","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013603","12.814","0.001","10.4199","0.0008","20.072","0.002","90","","106.937","0.001","90","","2563.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Piperidinylpyridinium hexafluorophosphate","","- C10 H15 F6 N2 P -","- C10 H15 F6 N2 P -","- C80 H120 F48 N16 P8 -","8","2","GD1273","James, Bruce D.; Mutrofin, Siti; Skelton, Brian W.; White, Allan H.","4-(Piperidin-1-yl)pyridinium hexafluorophosphate at 150K","Acta Crystallographica Section C","2003","59","11","o622","o624","10.1107/S0108270103019358","","","0.71073","MoKα","","0.059","0.042","","0.052","","0.048","","","0.982","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013604","9.359","0.002","9.406","0.002","9.509","0.002","68.05","0.02","64.17","0.02","62.58","0.01","652.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 O7 S -","- C15 H8 O7 S -","- C30 H16 O14 S2 -","2","1","GD1278","Skelton, Brian W.; White, Allan H.","7-Methoxyanthra[1,9-<i>de</i>]-1,3,2-dioxathiine-8,11-dione 2,2-dioxide","Acta Crystallographica Section C","2003","59","11","o609","o610","10.1107/S0108270103020420","","","0.71073","MoKα","","0.059","0.046","","0.063","","0.058","","","1.007","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013605","12.5103","0.0007","8.4276","0.0006","24.401","0.002","90","","90","","90","","2572.6","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[dipotassium [bis[μ-N-salicylidene-β-alaninato(2-)]-κ^4^O,N,O':O'';κ^4^O'':O,N,O'- dicopper(II)]-di-μ-isothiocyanato-k^2^N:S;κ^2^S:N]","","- C11 H9 Cu K N2 O3 S -","- C11 H9 Cu K N2 O3 S -","- C88 H72 Cu8 K8 N16 O24 S8 -","8","1","GD1279","Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga","<i>catena</i>-Poly[potassium [copper(II)-μ-isothiocyanato-μ-<i>N</i>-salicylidene-β-alaninato(2‒)]]","Acta Crystallographica Section C","2003","59","12","m509","m511","10.1107/S0108270103023151","","","0.71073","MoKα","","0.04","0.033","","","0.077","0.08","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013606","9.0791","0.0014","11.0455","0.0015","11.358","0.0011","93.592","0.01","102.316","0.011","112.167","0.014","1017.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[N,N'-bis(3-aminopropyl)ethylenediamine-κ^4^N,N',N'',N'''][1,3,5-triazine- 2,4,6(1H,3H,5H)-trithioneκ^2^N,S]zinc(II) ethanol solvate","","- C13 H29 N7 O S3 Zn -","- C13 H29 N7 O S3 Zn -","- C26 H58 N14 O2 S6 Zn2 -","2","1","GD1284","Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk","[<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)ethylenediamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''](trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II) ethanol solvate","Acta Crystallographica Section C","2003","59","12","m558","m560","10.1107/S0108270103025836","","","0.71073","MoKα","","0.037","0.036","","","0.097","0.097","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013607","9.5904","0.0003","13.4903","0.0005","15.8568","0.0005","90","","106.603","0.002","90","","1965.98","0.12","294","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(ferrocenylmethyl)anthracene-9-carboxamide","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C104 H84 Fe4 N4 O4 -","4","1","GD1288","Gallagher, John F.; Kelly, Paula N.; Kenny, Peter T. M.; Lough, Alan J.","Intermolecular interactions in <i>N</i>-(ferrocenylmethyl)anthracene-9-carboxamide","Acta Crystallographica Section C","2003","59","12","m552","m554","10.1107/S010827010302585X","","","0.71073","MoKα","","0.0674","0.0395","","","0.0854","0.0974","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013608","12.133","0.005","12.658","0.005","19.104","0.005","76.39","0.005","73.26","0.005","76.62","0.005","2688.2","1.7","160","","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-Dicarboxy-1,2-dicarba-closo-dodecaborane(12)","","- C5 H15 B10 O4.5 -","- C5 H15 B10 O4.5 -","- C40 H120 B80 O36 -","8","4","GG1173","Ulaganathan Venkatasubramanian; David Ellis; Georgina M. Rosair; Alan J. Welch","Crystal engineering with heteroboranes. II. 1,2-Dicarboxy-1,2-dicarba-<i>closo</i>-dodecaborane(12) ethanol hemisolvate","Acta Crystallographica Section C","2003","59","10","o559","o561","10.1107/S0108270103017608","","","0.71069","MoKα","","0.0638","0.0523","","","0.1343","0.1437","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013609","22.4411","0.0004","22.4411","0.0004","13.3749","0.0002","90","","90","","90","","6735.6","0.2","293","2","293","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","Benzyltripropylammonium bromide","","- C16 H28 Br N -","- C16 H28 Br N -","- C256 H448 Br16 N16 -","16","2","GG1174","Hodorowicz, Maciej A.; Czapkiewicz, Jan; Stadnicka, Katarzyna","Benzyltripropylammonium bromide: a structure in polar space group <i>P</i>4~2~<i>bc</i>","Acta Crystallographica Section C","2003","59","10","o547","o549","10.1107/S0108270103018651","","","0.71073","MoKα","","0.062","0.038","","","0.069","0.076","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013610","11.1273","0.0009","23.8687","0.0015","12.9417","0.0007","90","","94.584","0.006","90","","3426.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(1,10-phenanthroline)sodium 2,4,6-trimercapto-1,3,5-triazin-1-ide","","- C39 H26 N9 Na S3 -","- C39 H26 N9 Na S3 -","- C156 H104 N36 Na4 S12 -","4","1","GG1175","Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk","Tris(1,10-phenanthroline)sodium 2,4,6-trimercapto-1,3,5-triazin-1-ide","Acta Crystallographica Section C","2003","59","10","m399","m401","10.1107/S0108270103017773","","","0.71073","MoKα","","0.057","0.049","","","0.127","0.13","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013611","7.9973","0.0008","12.4449","0.0009","12.6115","0.0012","63.753","0.008","81.41","0.008","84.866","0.007","1112.74","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Berberine formate-succinic acid clathrate","9,10-dimethoxy-2,3-methylendioxy-5,6-dihydrodibenzo[a,g]quinolizinium formate-succinic acid (1/1)","","- C25 H25 N O10 -","- C25 H25 N O10 -","- C50 H50 N2 O20 -","2","1","GG1177","Marek, Jaromír; Hulová, Dagmar; Dostál, Jiří; Marek, Radek","Berberine formate‒succinic acid (1/1)","Acta Crystallographica Section C","2003","59","10","o583","o585","10.1107/S010827010301789X","","","0.71073","MoKα","","0.039","0.034","","","0.1","0.115","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013612","7.8033","0.0005","10.6424","0.0007","13.2432","0.0009","108.491","0.001","96.081","0.001","110.165","0.001","950.03","0.11","100","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl N-phenyloxamate","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","2","GG1178","Efrén V. García-Báez; Carlos Z. Gómez-Castro; Herbert Höpfl; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez","Ethyl <i>N</i>-phenyloxamate","Acta Crystallographica Section C","2003","59","10","o541","o543","10.1107/S0108270103017554","","","0.71073","MoKα","","0.0499","0.0439","","","0.1095","0.1137","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013613","26.608","0.008","7.0551","0.0006","18.918","0.005","90","","129.71","0.01","90","","2732","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(4-ethylthiosemicarbazono)methyl]-2-naphthol","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C112 H120 N24 O8 S8 -","8","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.058","0.04","","","0.109","0.122","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013614","19.243","0.004","6.7948","0.0006","24.471","0.006","90","","95.48","0.01","90","","3185","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(4-phenylthiosemicarbazono)methyl]-2-naphthol","","- C18 H15 N3 O S -","- C18 H15 N3 O S -","- C144 H120 N24 O8 S8 -","8","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.108","0.04","","","0.099","0.126","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013615","12.012","0.002","7.8776","0.0009","18.631","0.003","90","","95.78","0.01","90","","1754","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(4,4-dimethylthiosemicarbazono)methyl]-2-naphthol dimethyl sulfoxide solvate","","- C16 H21 N3 O2 S2 -","- C16 H21 N3 O2 S2 -","- C64 H84 N12 O8 S8 -","4","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.087","0.04","","","0.099","0.12","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013616","9.293","0.001","5.1612","0.0003","12.563","0.001","90","","91.31","0.02","90","","602.4","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(4-methylthiosemicarbazono)methyl]-2-naphthol","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.048","0.03","","","0.073","0.08","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013617","6.8439","0.0006","8.5266","0.0009","9.4154","0.0008","78.634","0.008","74.531","0.007","73.96","0.009","504.38","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","1-allyl-2-aminopyridinium di-μ-chloro-bis[chlorocopper(II)]","","- C16 H22 Cl4 Cu2 N4 -","- C16 H22 Cl4 Cu2 N4 -","- C16 H22 Cl4 Cu2 N4 -","1","0.5","GG1181","Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian","Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation","Acta Crystallographica Section C","2003","59","11","m478","m481","10.1107/S0108270103021978","","","1.54178","CuKα","","0.0436","0.0434","","","0.1247","0.1248","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013618","6.8847","0.0005","8.6835","0.0012","9.6042","0.0014","78.096","0.012","74.172","0.009","73.642","0.009","524.8","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-allyl-2-aminopyridinium di-μ-(chloro/bromo)-bis[(chloro/bromo)copper(II)]","","- C16 H22 Br2.2 Cl1.8 Cu2 N4 -","- C16 H22 Br2.202 Cl1.798 Cu2 N4 -","- C16 H22 Br2.202 Cl1.798 Cu2 N4 -","1","0.5","GG1181","Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian","Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation","Acta Crystallographica Section C","2003","59","11","m478","m481","10.1107/S0108270103021978","","","1.54178","CuKα","","0.0362","0.0359","","","0.0971","0.0973","","","","","","1.178","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013619","15.0347","0.0007","15.987","0.0007","16.4562","0.0008","83.501","0.004","66.004","0.005","61.981","0.005","3175.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Diaqua-bis(1,10-phenanthroline-N,N')manganese(II)] [bis(1,10-phenanthroline-N,N')(thiodiglycolato-O,O')manganese(II)] thiodiglycolate tridecahydrate","","- C56 H66 Mn2 N8 O23 S2 -","- C56 H66 Mn2 N8 O23 S2 -","- C112 H132 Mn4 N16 O46 S4 -","2","1","GG1182","Marek, Jaromír; Trávníček, Zdeněk; Kopel, Pavel","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) thiodiglycolate bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiodiglycolato-κ^2^<i>O</i>,<i>O</i>')manganese(II) tridecahydrate","Acta Crystallographica Section C","2003","59","11","m429","m431","10.1107/S0108270103020249","","","0.71073","MoKα","","0.0431","0.0391","","","0.0962","0.0986","","","","","","1.047","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013620","7.656","0.002","8.613","0.002","9.671","0.002","78.893","0.003","71.433","0.003","77.984","0.003","585.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine- κ^2^N,N')copper(II)]","","- C16 H32 Cu2 N8 O4 -","- C16 H32 Cu2 N8 O4 -","- C16 H32 Cu2 N8 O4 -","1","0.5","GG1183","Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng","Di-μ-cyanato-bis[(cyanato-κ<i>N</i>)(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)] and <i>catena</i>-poly[[μ~3~-cyanato-κ^3^<i>O</i>:<i>N</i>:<i>N</i>-bis[(cyanato-κ<i>N</i>)(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')copper(II)]]-μ~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2003","59","12","m519","m522","10.1107/S010827010302403X","","","0.71073","MoKα","","0.032","0.03","","","0.081","0.082","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013621","6.711","0.002","6.636","0.002","19.23","0.006","90","","100.049","0.003","90","","843.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[[μ~2~-cyanato-κ^2^N:N-bis[(cyanato-κN)(1,3-diaminopropane- κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^N:N:O]","","- C5 H10 Cu N4 O2 -","- C5 H10 Cu N4 O2 -","- C20 H40 Cu4 N16 O8 -","4","1","GG1183","Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng","Di-μ-cyanato-bis[(cyanato-κ<i>N</i>)(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)] and <i>catena</i>-poly[[μ~3~-cyanato-κ^3^<i>O</i>:<i>N</i>:<i>N</i>-bis[(cyanato-κ<i>N</i>)(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')copper(II)]]-μ~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2003","59","12","m519","m522","10.1107/S010827010302403X","","","0.71073","MoKα","","0.045","0.035","","","0.087","0.09","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013622","6.1652","0.0003","10.2718","0.0005","26.1962","0.0017","90","","90","","90","","1658.95","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylmalonpiperadide","2-phenyl-1,3-bis(piperidin-1-yl)propane-1,3-dione","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","GG1184","Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian","2-Phenylmalonpiperadide and 2-phenylmalonmorpholide","Acta Crystallographica Section C","2003","59","12","o715","o718","10.1107/S0108270103021310","","","0.71073","MoKα","","0.2065","0.0689","","","0.125","0.1774","","","","","","0.936","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013623","8.39","0.0001","10.8464","0.0002","17.0838","0.0004","90","","90","","90","","1554.65","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylmalonmorpholide","1,3-dimorpholino-2-phenylpropane-1,3-dione","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","GG1184","Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian","2-Phenylmalonpiperadide and 2-phenylmalonmorpholide","Acta Crystallographica Section C","2003","59","12","o715","o718","10.1107/S0108270103021310","","","0.71073","MoKα","","0.0438","0.0391","","","0.1012","0.1034","","","","","","1.118","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013624","7.802","0.001","8.622","0.001","9.441","0.001","113.84","0.01","91.18","0.01","109.04","0.01","540.52","0.13","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate","","- C8 H11 N O3 S2 -","- C8 H11 N O3 S2 -","- C16 H22 N2 O6 S4 -","2","1","GG1186","Hartung, Jens; Schwarz, Michaela; Svoboda, Ingrid; Fuess, Hartmut","Uncovering stereochemical relations in a compound with a stereogenic N—O axis: methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate","Acta Crystallographica Section C","2003","59","12","o682","o684","10.1107/S0108270103024077","","","0.71073","MoKα","","0.0407","0.0373","","","0.0987","0.1026","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013625","7.1953","0.0014","8.4763","0.0017","11.811","0.002","84.35","0.03","88.05","0.03","70.06","0.03","673.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","1-(4-chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene","","- C13 H7 Cl F3 N O2 S -","- C13 H7 Cl F3 N O2 S -","- C26 H14 Cl2 F6 N2 O4 S2 -","2","1","GG1187","Daniel E. Lynch; Ian M^c^Clenaghan","1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene","Acta Crystallographica Section C","2003","59","11","o641","o643","10.1107/S0108270103021309","","","0.71073","MoKα","","0.094","0.0588","","","0.171","0.2023","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013626","12.335","0.003","9.2477","0.0018","12.929","0.003","90","","108.32","0.03","90","","1400.1","0.6","568","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene","","- C13 H7 Cl F3 N O2 S -","- C13 H7 Cl F3 N O2 S -","- C52 H28 Cl4 F12 N4 O8 S4 -","4","1","GG1187","Daniel E. Lynch; Ian M^c^Clenaghan","1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene","Acta Crystallographica Section C","2003","59","11","o641","o643","10.1107/S0108270103021309","","","0.71073","MoKα","","0.1971","0.0833","","","0.1996","0.2576","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013627","6.18","0.001","7.545","0.002","12.425","0.002","91.23","0.03","102.27","0.03","108.8","0.03","533.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Anilinium malate","anilinium monohydrogen (DL)-malate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C20 H26 N2 O10 -","2","1","GG1192","Genivaldo Julio Perpétuo; Jan Janczak","Anilinium monohydrogen <small>DL</small>-malate","Acta Crystallographica Section C","2003","59","12","o709","o711","10.1107/S0108270103023837","","","0.71073","MoKα","","0.0702","0.039","","","0.0939","0.1074","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013628","23.282","0.005","7.728","0.0015","9.674","0.0019","90","","100.1","0.03","90","","1713.6","0.6","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(2,5-dimethoxy-4-methylphenyl)methane","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","0.5","GG1194","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R.","Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane","Acta Crystallographica Section C","2003","59","12","o700","o702","10.1107/S0108270103024673","","","0.71073","MoKα","","0.088","0.048","","","0.137","0.16","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013629","24.321","0.005","6.141","0.0012","15.042","0.003","90","","112.21","0.03","90","","2079.9","0.8","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","0.5","GG1194","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R.","Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane","Acta Crystallographica Section C","2003","59","12","o700","o702","10.1107/S0108270103024673","","","0.71073","MoKα","","0.058","0.047","","","0.136","0.148","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013630","13.2377","0.0015","5.3623","0.0004","11.5142","0.0016","90","","109.822","0.01","90","","768.9","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dinicotinamidium squarate","","- C16 H14 N4 O6 -","- C16 H14 N4 O6 -","- C32 H28 N8 O12 -","2","0.5","GG1196","Bulut, Ahmet; Yesilel, Okan Zafer; Dege, Necmi; Icbudak, Hasan; Olmez, Halis; Buyukgungor, Orhan","Dinicotinamidium squarate","Acta Crystallographica Section C","2003","59","12","o727","o729","10.1107/S0108270103025903","","","0.71073","MoKα","","0.054","0.04","","","0.104","0.109","","","","","","0.901","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013631","4.9163","0.0009","10.34","0.002","14.136","0.003","90","","90","","90","","718.6","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs H O7 Si3 -","- Cs O7 Si3 -","- Cs4 O28 Si12 -","4","1","IZ1030","Bull, Ivor; Parise, John B.","Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates","Acta Crystallographica Section C","2003","59","10","i100","i102","10.1107/S0108270103014586","","","0.71073","MoKα","","","0.0326","","","","0.0816","","","","","","0.925","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013632","4.8147","0.0013","8.267","0.002","12.814","0.003","90","","90","","90","","510","0.2","293","2","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","","","- H O5 Rb Si2 -","- O5 Rb Si2 -","- O20 Rb4 Si8 -","4","0.5","IZ1030","Bull, Ivor; Parise, John B.","Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates","Acta Crystallographica Section C","2003","59","10","i100","i102","10.1107/S0108270103014586","","","0.71073","MoKα","","","0.0274","","","","0.0795","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013633","10.825","0.006","18.351","0.01","6.435","0.003","90","","90","","90","","1278.3","1.2","293","2","293","2","","","","","","","Synthetic","3","C m c 21","C 2c -2","36","potassium nitrate","","Niter","- K N O3 -","- K N O3 -","- K16 N16 O48 -","16","2","","Adiwidjaja, Gunadi; Pohl, Dieter","Superstructure of α-phase potassium nitrate","Acta Crystallographica, Section C","2003","59","","i139","i140","10.1107/S0108270103025277","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2013634","7.6207","0.0015","9.2328","0.0018","11.926","0.002","99.46","0.03","105.89","0.03","91.54","0.03","793.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","diammonium tetrahydroxodecaborate monohydrate","","- B10 H14 N2 O19 -","- B10 H14 N2 O19 -","- B20 H28 N4 O38 -","2","1","IZ1036","Lin-Yan Li; Guo-Bao Li; Ming Xiong; Ying-Xia Wang; Jian-Hua Lin","A new hydrated ammonium hydroxyborate, (NH~4~)~2~[B~10~O~14~(OH)~4~]·H~2~O","Acta Crystallographica Section C","2003","59","11","i115","i116","10.1107/S0108270103021152","","","0.71073","MoKα","","0.0525","0.0442","","","0.113","0.1182","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013635","11.034","0.004","11.582","0.009","24.149","0.007","90","","90","","90","","3086","3","100","1","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 B K N O6 S -","- C31 H39 B K N O6 S -","- C124 H156 B4 K4 N4 O24 S4 -","4","1","JZ1569","Munro, Orde Q.; Pearson, Nicole","The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution","Acta Crystallographica Section C","2003","59","10","m407","m412","10.1107/S0108270103018262","","","0.71073","MoKα","","","0.0466","","","","0.0953","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013636","11.0652","0.0015","11.7696","0.0019","24.424","0.004","90","","90","","90","","3180.8","0.8","293","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 B K N O6 S -","- C31 H39 B K N O6 S -","- C124 H156 B4 K4 N4 O24 S4 -","4","1","JZ1569","Munro, Orde Q.; Pearson, Nicole","The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution","Acta Crystallographica Section C","2003","59","10","m407","m412","10.1107/S0108270103018262","","","0.71073","MoKα","","","0.0321","","","","0.0941","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013637","17.6868","0.0007","20.6923","0.0008","20.7567","0.0008","90","","90","","90","","7596.5","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(perchlorato-κ^2^O,O')[28,31,36,39-tetraoxa-1,9,17,25,42- pentaazahexacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane- κ^8^N^1^,N^9^,N^17^,N^42^,O^28^,O^31^,O^36^,O^39^]barium(II) perchlorate","","- C33 H41 Ba Cl2 N5 O12 -","- C33 H41 Ba Cl2 N5 O12 -","- C264 H328 Ba8 Cl16 N40 O96 -","8","1","JZ1570","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa","A barium perchlorate complex with a lateral macrobicycle derived from 4,13-diaza-18-crown-6 containing a pyridine Schiff base spacer","Acta Crystallographica Section C","2003","59","11","m450","m451","10.1107/S0108270103016901","","","0.71073","MoKα","","0.093","0.048","","","0.078","0.092","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013638","7.631","0.003","10.153","0.004","12.682","0.004","90","","90","","90","","982.6","0.6","96","0.1","96","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-methanesulfonyl-N-methyl-2-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","JZ1571","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek","Rearrangement products of 3-methanesulfonyl-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2003","59","10","o564","o566","10.1107/S0108270103017888","","","0.71073","MoKα","","0.0276","0.0234","","","0.0542","0.0563","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013639","8.567","0.002","12.33","0.003","18.343","0.004","90","","90","","90","","1937.6","0.8","96","0.1","96","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methanesulfonyl-N-methyl-2-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C64 H80 N16 O32 S8 -","8","1","JZ1571","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek","Rearrangement products of 3-methanesulfonyl-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2003","59","10","o564","o566","10.1107/S0108270103017888","","","0.71073","MoKα","","0.0459","0.0311","","","0.0857","0.1141","","","","","","1.164","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013640","4.8653","0.001","8.873","0.002","18.739","0.003","90","","90","","90","","809","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.084","0.054","","","0.116","0.128","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013641","5.5381","0.001","8.58","0.002","16.795","0.005","90","","90","","90","","798","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.046","0.036","","","0.092","0.095","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013642","4.899","0.002","18.268","0.006","5.043","0.002","90","","118.39","0.02","90","","397","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C12 H28 O12 -","2","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.033","0.031","","","0.078","0.079","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013643","9.1894","0.001","7.9653","0.0009","15.6683","0.0017","90","","90","","90","","1146.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)cobalt(II)","","- C6 H12 Cl2 Co N4 O2 -","- C6 H12 Cl2 Co N4 O2 -","- C24 H48 Cl8 Co4 N16 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0246","","","0.0562","0.0606","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013644","9.1185","0.0007","7.9344","0.0006","15.5636","0.0012","90","","90","","90","","1126.02","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)nickel(II)","","- C6 H12 Cl2 N4 Ni O2 -","- C6 H12 Cl2 N4 Ni O2 -","- C24 H48 Cl8 N16 Ni4 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0283","","","0.0594","0.0616","","","","","","1.27","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013645","6.71","0.003","6.767","0.004","8.059","0.005","71.51","0.04","84.68","0.05","70.16","0.03","326.4","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Dicyano{[(1S)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^N,O}boron","","- C13 H14 B N3 O -","- C13 H14 B N3 O -","- C13 H14 B N3 O -","1","1","JZ1576","Yongkwan Dong; Hoseop Yun; Chan Sun Park; Won Koo Lee; Hyun-Joon Ha","Dicyano{[(1<i>S</i>)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^<i>N</i>,<i>O</i>}boron","Acta Crystallographica Section C","2003","59","12","o659","o660","10.1107/S0108270103022698","","","0.71073","MoKα","","0.0339","0.0326","","","0.0888","0.0902","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013646","19.9194","0.0017","8.6554","0.0007","14.6049","0.0014","90","","91.208","0.007","90","","2517.5","0.4","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(18-crown-6)potassium pentaiodide","(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium pentaiodide","","- C12 H24 I5 K O6 -","- C12 H24 I5 K O6 -","- C48 H96 I20 K4 O24 -","4","0.5","JZ1580","Pantenburg, Ingo; Müller, Ingrid","Isolated pentaiodide anions in [K(18-crown-6)]I~5~","Acta Crystallographica Section C","2003","59","10","m427","m428","10.1107/S010827010301953X","","","0.71073","MoKα","","0.034","0.024","","","0.054","0.057","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013647","7.0429","0.0008","4.8135","0.0006","10.9047","0.0012","90","","96.885","0.003","90","","367.01","0.07","133","2","133","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Ammonium [(carboxymethyl)thio]acetate","","- C4 H9 N O4 S -","- C4 H9 N O4 S -","- C8 H18 N2 O8 S2 -","2","1","JZ1581","Maurin, Jan K.; Pawłowski, Michał; Czarnocki, Zbigniew","Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate","Acta Crystallographica Section C","2003","59","11","o656","o658","10.1107/S010827010302287X","","","0.71073","MoKα","","0.026","0.026","","","0.073","0.074","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013648","8.2384","0.0007","10.0582","0.0009","8.9323","0.0008","90","","94.477","0.007","90","","737.9","0.11","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(glycylglycinium) oxalate","","- C10 H18 N4 O10 -","- C10 H18 N4 O10 -","- C20 H36 N8 O20 -","2","0.5","LN1172","Ejsmont, Krzysztof; Zaleski, Jacek; Joe, Isaac H.; Jayakumar, Victor S.","Bis(glycylglycinium) oxalate at 100K","Acta Crystallographica Section C","2003","59","10","o553","o555","10.1107/S0108270103018031","","","0.71073","MoKα","","0.034","0.029","","","0.075","0.078","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013649","11.001","0.002","8.307","0.002","13.332","0.003","90","","90.39","0.03","90","","1218.3","0.5","296","1","296","1","","","","","","","","3","P 1 21 1","P 2yb","4","dibothrioclinin I","(+)-(11R,12S,25R,27S)-3,3,7,17,21-pentamethyl-4,12,18,26- tetraoxaheptacyclo[15.11.1.0^2,15^.0^5,14^.0^6,11^.0^19,28^.0^20,25^] nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione","","- C30 H28 O6 -","- C30 H28 O6 -","- C60 H56 O12 -","2","1","LN1173","Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi","Dibothrioclinin I and II, epimers from <i>Gerbera piloselloides</i> (L.) Cass","Acta Crystallographica Section C","2003","59","10","o593","o595","10.1107/S010827010301864X","","","0.71073","MoKα","","0.054","0.054","","","0.138","0.138","","","","","","1.228","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013650","15.517","0.003","19.411","0.004","7.963","0.002","90","","102.9","0.03","90","","2337.9","0.9","296","2","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibothrioclinin II","(±)-(11RS,12RS,25RS,27SR)-3,3,7,17,21-pentamethyl-4,12,18,26- tetraoxaheptacyclo[15.11.1.0^2,15^.0^5,14^.0^6,11^.0^19,28^.0^20,25^] nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione","","- C30 H28 O6 -","- C30 H28 O6 -","- C120 H112 O24 -","4","1","LN1173","Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi","Dibothrioclinin I and II, epimers from <i>Gerbera piloselloides</i> (L.) Cass","Acta Crystallographica Section C","2003","59","10","o593","o595","10.1107/S010827010301864X","","","0.71073","MoKα","","0.124","0.057","","","0.134","0.161","","","","","","0.839","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013651","7.254","0.001","24.115","0.003","11.565","0.002","90","","94.22","0.01","90","","2017.6","0.5","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C.I. Pigment Red 266","4-{[4-(aminocarbonyl)phenyl]hydrazono}-N-(2-methoxyphenyl)-3-oxo- 3,4-dihydronaphthalene-2-carboxamide","","- C25 H20 N4 O4 -","- C25 H20 N4 O4 -","- C100 H80 N16 O16 -","4","1","LN1174","Chang, Chia-Hsien; Christie, Robert M.; Rosair, Georgina M.","C.I. Pigment Red 266","Acta Crystallographica Section C","2003","59","10","o556","o558","10.1107/S0108270103017906","","","0.71073","MoKα","","0.0581","0.0418","","","0.101","0.1103","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013652","22.746","0.002","9.699","0.001","23.439","0.003","90","","102.296","0.01","90","","5052.3","1","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-carboxy-1,2-dicarba-1-methoxymethyl-closo-dodecaborane(12)","","- C5 H16 B10 O3 -","- C5 H16 B10 O3 -","- C80 H256 B160 O48 -","16","2","LN1176","Venkatasubramanian, Ulaganathan; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Crystal engineering with heteroboranes. III. 2-Carboxy-1-methoxymethyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2003","59","10","o586","o588","10.1107/S0108270103019048","","","0.71073","MoKα","","0.057","0.047","","","0.121","0.129","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013653","10.6193","0.0002","12.7441","0.001","20.7526","0.0003","72.922","0.009","76.449","0.009","77.159","0.01","2574.1","0.3","193.15","","193.15","","","","","","","","","8","P -1","-P 1","2","","Bis(tetraphenylphosphonium) (μ-tetrathiotungstenio-κ^4^S,S':S'':S''')bis[(cyano-κC)cuprate](2-) acetonitrile solvate monohydrate","","- C52 H45 Cu2 N3 O P2 S4 W -","- C52 H45 Cu2 N3 O P2 S4 W -","- C104 H90 Cu4 N6 O2 P4 S8 W2 -","2","1","LN1179","Qiao, Shan-Bao; Jiao, Chang-Mei; Xu, Qing-Feng; Zhang, Yong; Li, Bao-Long; Lang, Jian-Ping","Bis(tetraphenylphosphonium) (μ-tetrathiotungstenio-κ^4^<i>S</i>,<i>S</i>':<i>S</i>'':<i>S</i>''')bis[(cyano-κ<i>C</i>)cuprate](2‒) acetonitrile solvate monohydrate","Acta Crystallographica Section C","2003","59","11","m465","m466","10.1107/S0108270103022078","","","0.71073","MoKα","","0.0465","0.0388","","","0.0854","0.089","","","","","","1.017","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013654","7.8352","0.0009","10.73","0.0013","13.1342","0.0015","94.222","0.002","99.965","0.002","108.593","0.002","1020.9","0.2","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","2-{[(1Z)-(4-dimethylaminophenyl)methylene]amino}-4,5-dimethyl- N-(2-methylphenyl)thiophene-3-carboxamide","","- C23 H25 N3 O S -","- C23 H25 N3 O S -","- C46 H50 N6 O2 S2 -","2","1","LN1181","Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2003","59","12","o676","o678","10.1107/S0108270103023205","","","0.71073","MoKα","","0.1735","0.0657","","","0.1005","0.1277","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013655","8.016","0.002","21.255","0.006","25.651","0.007","90","","98.378","0.005","90","","4324","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-({(1E)-[4-(dimethylamino)phenyl]methylene}amino)- N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","","- C25 H27 N3 O S -","- C25 H27 N3 O S -","- C200 H216 N24 O8 S8 -","8","2","LN1181","Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2003","59","12","o676","o678","10.1107/S0108270103023205","","","0.71073","MoKα","","0.0866","0.059","","","0.15","0.1646","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013656","9.3376","0.0014","9.3376","0.0014","6.7321","0.001","90","","90","","120","","508.34","0.13","295","1","295","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0312","","","","0.0542","","","","","","1.067","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013657","9.3108","0.0014","9.3108","0.0014","6.7088","0.001","90","","90","","120","","503.67","0.13","100","1","100","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0242","","","","0.0412","","","","","","1.158","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013658","9.3386","0.001","9.3386","0.001","6.7589","0.0008","90","","90","","120","","510.47","0.1","270","1","270","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0352","","","","0.0532","","","","","","1.203","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013659","9.3274","0.001","9.3274","0.001","6.7554","0.0007","90","","90","","120","","508.98","0.09","100","1","100","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0356","","","","0.0566","","","","","","1.204","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013660","4.735","0.001","12.516","0.002","26.48","0.003","90","","90","","90","","1569.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","dimethyl 4,4'-(1,3,4-oxadiazole-2,5-diyl)diphenylenedicarboxylate","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","0.5","NA1617","Reck, Günter; Orgzall, Ingo; Schulz, Burkhard; Dietzel, Birgit","Two polymorphic forms of 2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section C","2003","59","11","o634","o635","10.1107/S0108270103021413","","","0.71069","MoKα","","0.0562","0.0498","","","0.1615","0.1642","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013661","36.708","0.004","6.974","0.001","6.03","0.001","90","","90","","90","","1543.7","0.4","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","dimethyl 4,4'-(1,3,4-oxadiazole-2,5-diyl)diphenylenedicarboxylate","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","0.5","NA1617","Reck, Günter; Orgzall, Ingo; Schulz, Burkhard; Dietzel, Birgit","Two polymorphic forms of 2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section C","2003","59","11","o634","o635","10.1107/S0108270103021413","","","0.71069","MoKα","","0.0461","0.0338","","","0.0874","0.0887","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013662","8.569","0.001","7.913","0.001","13.002","0.001","90","","93.21","0.01","90","","880.24","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sperminium tetrachloride","1,5,10,14-tetraazoniatetradecane tetrachloride","","- C10 H30 Cl4 N4 -","- C10 H30 Cl4 N4 -","- C20 H60 Cl8 N8 -","2","0.5","NA1618","Pospieszna-Markiewicz, Izabela; Kubicki, Maciej","Redetermination of sperminium tetrachloride","Acta Crystallographica Section C","2003","59","12","o664","o665","10.1107/S0108270103023655","","","0.71073","MoKα","","0.0581","0.03","","","0.0476","0.0532","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013663","18.8968","0.0004","18.8989","0.0004","8.7038","0.0002","90","","90","","90","","3108.38","0.12","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","NA1621","Low, John N.; Cobo, Justo; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section C","2003","59","12","o666","o668","10.1107/S0108270103023606","","","0.71073","MoKα","","0.0595","0.0466","","","0.1081","0.1163","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013664","5.0422","0.0014","8.016","0.003","9.284","0.003","90","","90","","90","","375.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","acetamideoxime","N-hydroxyethanimidamide","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","NA1623","Marilyn M. Olmstead; Javad J. Sahbari","Acetamidoxime","Acta Crystallographica Section C","2003","59","12","o719","o720","10.1107/S0108270103025587","","","1.54178","CuKα","","0.0285","0.0284","","","0.0722","0.0723","","","","","","1.264","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013665","9.1099","0.0009","8.8472","0.0013","11.0093","0.0011","90","","110.182","0.006","90","","832.84","0.17","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","betainohydroxamic acid","N-hydroxy-2-(trimethylammonio)acetamide chloride","","- C5 H13 Cl N2 O2 -","- C5 H13 Cl N2 O2 -","- C20 H52 Cl4 N8 O8 -","4","1","NA1624","Matković-Čalogović, Dubravka; Biruš, Mladen; Bešić, Erim; Gabričević, Mario","Betainohydroxamic acid chloride","Acta Crystallographica Section C","2003","59","12","o694","o695","10.1107/S0108270103024867","","","0.71073","MoKα","","0.049","0.029","","","0.076","0.082","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013666","12.045","0.003","13.367","0.004","19.886","0.005","74.86","0.01","87.99","0.01","64.23","0.01","2771.9","1.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","Tris[diphenyl(2-pyridyl)phosphine]-μ~3~-iodo-tri-μ~3~-sulfido- sulfidotrisilvertungsten dichloromethane hemisolvate","","- C51.5 H43 Ag3 Cl I N3 P3 S4 W -","- C51.5 H43 Ag3 Cl I N3 P3 S4 W -","- C103 H86 Ag6 Cl2 I2 N6 P6 S8 W2 -","2","1","OB1133","Wang, Yan; Li, Yi-Zhi; Jin, Qiong-Hua; Zheng, He-Gen; Hu, Zheng; Xin, Xin-Quan","Tris[diphenyl(2-pyridyl)phosphine]-μ~3~-iodo-tri-μ~3~-sulfido-sulfidotrisilvertungsten dichloromethane hemisolvate","Acta Crystallographica Section C","2003","59","10","m390","m391","10.1107/S0108270103017645","","","0.71073","MoKα","","0.0393","0.0353","","","0.0897","0.0906","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013667","20.8644","0.0016","16.6147","0.0013","19.715","0.0014","90","","96.321","0.005","90","","6792.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H89 Li N6 O9 U -","- C71 H89 Li N6 O9 U -","- C284 H356 Li4 N24 O36 U4 -","4","1","OB1134","Thuéry, Pierre; Takemura, Hiroyuki","A uranyl ion complex of <i>N</i>-methyl-<i>p</i>-<i>tert</i>-butyldihomoammoniocalix[4]arene with diaquadipyridinelithium as counter-ion","Acta Crystallographica Section C","2003","59","10","m384","m386","10.1107/S0108270103015786","","","0.71073","MoKα","","0.1198","0.0582","","","0.106","0.126","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013668","15.534","0.001","17.448","0.002","8.2424","0.0007","90","","93.256","0.004","90","","2230.4","0.3","173.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H22 F12 N4 P2 Pt -","- C16 H22 F12 N4 P2 Pt -","- C64 H88 F48 N16 P8 Pt4 -","4","1","OB1141","Koshiyama, Tamami; Kato, Masako","[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>'](α-diimine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(hexafluorophosphate), where α-diimine is 2,2'-bipyridine and 1,10-phenanthroline","Acta Crystallographica Section C","2003","59","11","m446","m449","10.1107/S0108270103020869","","","0.7107","MoKα","","","0.0321","","","","0.077","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013669","7.3142","0.0005","18.2738","0.0005","18.4925","0.0005","90","","90","","90","","2471.67","0.19","293.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F12 N4 P2 Pt -","- C18 H22 F12 N4 P2 Pt -","- C72 H88 F48 N16 P8 Pt4 -","4","1","OB1141","Koshiyama, Tamami; Kato, Masako","[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>'](α-diimine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(hexafluorophosphate), where α-diimine is 2,2'-bipyridine and 1,10-phenanthroline","Acta Crystallographica Section C","2003","59","11","m446","m449","10.1107/S0108270103020869","","","0.7107","MoKα","","","0.0474","","","","0.1051","","","","","","1.256","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013670","10.718","0.005","14.292","0.007","12.192","0.006","90","","101.119","0.007","90","","1832.5","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[(μ-dihydrogen-1,2,4,5-benzenetetracarboxylato-1:2κ^2^O^1^:O^3^) (1,10-phenanthroline-κ^2^N,N')copper(II)]","","- C22 H12 Cu N2 O8 -","- C22 H12 Cu N2 O8 -","- C88 H48 Cu4 N8 O32 -","4","0.5","OB1146","Hu, Mao-Lin; Xiao, Hong-Ping; Wang, Shun; Li, Xin-Hua","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-(dihydrogen benzene-1,2,4,5-tetracarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section C","2003","59","11","m454","m455","10.1107/S0108270103021097","","","0.71073","MoKα","","0.061","0.041","","","0.093","0.1","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013671","25.732","0.0006","18.3516","0.0004","17.5412","0.0004","90","","90","","90","","8283.4","0.3","120","2","120","2","","","","","","","","7","C m c a","-C 2ac 2","64","","Bis(acetonitrile-κN)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazatetradecane- κ^4^N]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate","","- C78 H54 B2 Cu F48 N6 O0.31 -","- C78 H54 B2 Cu F48 N6 O0.32 -","- C312 H216 B8 Cu4 F192 N24 O1.28 -","4","","SK1648","Janet M. S. Skakle; Marcus V. D. Rangel e Silva; James L. Wardell; Solange M. S. V. Wardell","Bis(acetonitrile-κ<i>N</i>)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazatetradecane-κ^4^<i>N</i>]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate","Acta Crystallographica Section C","2003","59","10","m413","m415","10.1107/S0108270103016743","","","0.71073","MoKα","","0.0752","0.0489","","","0.125","0.1389","","","","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013672","8.851","0.0002","8.851","0.0002","44.886","0.0008","90","","90","","120","","3045.27","0.11","293","","293","","","","","","","","","5","P 32 2 1","P 32 2""","154","Pergolide mesylate","8β-[(methylsulfanyl)methyl]-6-propylergolinium methanesulfonate","","- C20 H30 N2 O3 S2 -","- C20 H30 N2 O3 S2 -","- C120 H180 N12 O18 S12 -","6","1","SK1650","Jegorov, Alexandr; Horák, Zdeněk; Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana","Pergolide mesylate form II","Acta Crystallographica Section C","2003","59","10","o575","o576","10.1107/S0108270103017499","","","0.71073","MoKα","","0.0434","0.0304","","0.0413","0.0343","0.0343","","","","","","1.1514","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013673","16.899","0.003","3.935","0.0006","9.4105","0.0015","90","","103.103","0.003","90","","609.48","0.17","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","barium titanate oxide","monobarium dititanium pentaoxide","","- Ba O5 Ti2 -","- Ba O5 Ti2 -","- Ba6 O30 Ti12 -","6","1.5","SK1654","Kimura, Teiichi; Goto, Takashi; Yamane, Hisanori; Iwata, Hiroaki; Kajiwara, Takashi; Akashi, Takaya","A ferroelectric barium titanate, BaTi~2~O~5~","Acta Crystallographica Section C","2003","59","12","i128","i130","10.1107/S0108270103021395","","","0.71073","MoKα","","0.0462","0.045","","","0.1113","0.1121","","","","","","1.082","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013674","5.3408","0.0009","16.286","0.002","19.721","0.003","90","","90.48","0.01","90","","1715.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Rubidium triflate","Lithium dirubidium tris(trifluoromethylsulfonate)","","- C3 F9 Li O9 Rb2 S3 -","- C3 F9 Li O9 Rb2 S3 -","- C12 F36 Li4 O36 Rb8 S12 -","4","1","SK1657","Pompetzki, M.; Friese, K.; Jansen, M.","Twinned α-LiRb~2~(CF~3~SO~3~)~3~","Acta Crystallographica Section C","2003","59","12","i117","i119","10.1107/S0108270103021693","","","0.71069","MoKα","","0.128","0.068","","","0.061","0.061","","","","","","4.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013675","9.6465","0.0006","10.7694","0.0007","5.0583","0.0003","90","","90","","90","","525.49","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dinitroguanidine","","- C H3 N5 O4 -","- C H3 N5 O4 -","- C4 H12 N20 O16 -","4","1","SK1658","Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","1,2-Dinitroguanidine","Acta Crystallographica Section C","2003","59","10","o550","o552","10.1107/S0108270103017098","","","1.5406","CuKα","","0.025","0.024","","","0.065","0.066","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013676","8.364","0.006","8.364","0.006","12.286","0.01","90","","90","","120","","744.3","1","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","cadmium zinc borate","tricadmium trizinc tetraborate","","- B4 Cd3 O12 Zn3 -","- B4 Cd3 O12 Zn3 -","- B12 Cd9 O36 Zn9 -","3","0.166667","SK1661","Sun, Tongqing; Pan, Feng; Wang, Ruji; Shen, Guangqiu; Wang, Xiaoqing; Shen, Dezhong","A non-linear optical crystal, Cd~3~Zn~3~(BO~3~)~4~","Acta Crystallographica Section C","2003","59","11","i107","i108","10.1107/S0108270103020390","","","0.71073","MoKα","","0.06","0.052","","","0.113","0.121","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013677","15.6188","0.0005","4.7253","0.0001","19.7669","0.0007","90","","104.082","0.0012","90","","1415.02","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Iodo-4-nitrophenyl)-4-iodobenzamide","","- C13 H8 I2 N2 O3 -","- C13 H8 I2 N2 O3 -","- C52 H32 I8 N8 O12 -","4","1","SK1666","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Bilayers in 4-iodo-<i>N</i>-(2-iodo-4-nitrophenyl)benzamide generated by a combination of an N—H···O=C hydrogen bond and two independent iodo‒nitro interactions","Acta Crystallographica Section C","2003","59","11","o636","o637","10.1107/S0108270103021164","","","0.71073","MoKα","","0.045","0.034","","","0.069","0.074","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013678","8.404","0.003","14.392","0.002","11.167","0.002","90","","97.42","0.02","90","","1339.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(di-2-pyridylphosphinato-κ^3^N,O,N')copper(II) dichloromethane disolvate","","- C22 H20 Cl4 Cu N4 O4 P2 -","- C22 H20 Cl4 Cu N4 O4 P2 -","- C44 H40 Cl8 Cu2 N8 O8 P4 -","2","0.5","SK1667","Michael Yen-Nan Chiang; Jing-Yun Wu; Wen-Feng Zeng; Duan-Jun Xu","Bis(di-2-pyridylphosphinato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')copper(II) dichloromethane disolvate","Acta Crystallographica Section C","2003","59","12","m523","m525","10.1107/S0108270103023631","","","0.71073","MoKα","","0.065","0.033","","","0.089","0.102","","","","","","1.042","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013679","12.0121","0.0002","10.5379","0.0002","20.8249","0.0006","90","","94.755","0.0008","90","","2626.99","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminobenzimidazolium O-ethyl malonate","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C96 H120 N24 O32 -","8","2","SK1668","Low, John N.; Cobo, Justo; Abonia, Rodrigo; Insuasty, Braulio; Glidewell, Christopher","2-Aminobenzimidazolium <i>O</i>-ethyl malonate: eight independent N—H···O hydrogen bonds generate sheets","Acta Crystallographica Section C","2003","59","12","o669","o671","10.1107/S0108270103023333","","","0.71073","MoKα","","0.0928","0.0605","","","0.1504","0.1707","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013680","10.4641","0.0002","16.3479","0.0003","11.011","0.0002","90","","102.414","0.0011","90","","1839.57","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzoyl)-7-(N,N-dimethylamino)-1-phenylindolizine","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","SK1671","Hema, R.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Linden, Anthony","3-(4-Chlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine and 3-(2,4-dichlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine","Acta Crystallographica Section C","2003","59","12","o703","o705","10.1107/S0108270103023540","","","0.71073","MoKα","","0.0639","0.0465","","","0.119","0.1307","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013681","9.5888","0.0002","19.0878","0.0004","10.6508","0.0002","90","","90.758","0.0013","90","","1949.24","0.07","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2,4-Dichlorobenzoyl)-7-(N,N-dimethylamino)-1-phenylindolizine","","- C23 H18 Cl2 N2 O -","- C23 H18 Cl2 N2 O -","- C92 H72 Cl8 N8 O4 -","4","1","SK1671","Hema, R.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Linden, Anthony","3-(4-Chlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine and 3-(2,4-dichlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine","Acta Crystallographica Section C","2003","59","12","o703","o705","10.1107/S0108270103023540","","","0.71073","MoKα","","0.0597","0.0414","","","0.1047","0.1165","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013682","10.59","0.004","11.49","0.003","11.344","0.005","90","","116.58","0.03","90","","1234.4","0.8","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-hydroxy-1-phosphono-3-(1-piperidino)propylidene-1-phosphonate","","- C8 H19 N O7 P2 -","- C8 H19 N O7 P2 -","- C32 H76 N4 O28 P8 -","4","1","SK1672","Fernández, Daniel; Vega, Daniel","Head-to-head dimers in the zwitterion of 1-hydroxy-1-phosphono-3-(1-piperidino)propylidene-1-phosphonate (PHPBP)","Acta Crystallographica Section C","2003","59","12","o661","o663","10.1107/S0108270103023710","","","0.71069","MoKα","","0.041","0.034","","","0.088","0.092","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013683","7.2545","0.0001","13.5417","0.0002","23.6387","0.0004","90","","90","","90","","2322.22","0.06","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-(p-fluorophenyl)-4-aza-pyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate","","- C27 H34 F N3 O2 -","- C27 H34 F N3 O2 -","- C108 H136 F4 N12 O8 -","4","1","SK1673","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D.P.; Linden, Anthony","Two azasteroidal [3,2-<i>c</i>]pyrazole derivatives: 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate and 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-ol","Acta Crystallographica Section C","2003","59","12","o724","o726","10.1107/S010827010302506X","","","0.71073","MoKα","","0.0595","0.0431","","","0.0936","0.1027","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013684","7.099","0.0002","14.8153","0.0004","20.2961","0.0004","90","","90","","90","","2134.62","0.09","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-(p-fluorophenyl)-4-aza-pyrazolo[4',3':2,3]-5α-androstan-17β-ol","","- C25 H32 F N3 O -","- C25 H32 F N3 O -","- C100 H128 F4 N12 O4 -","4","1","SK1673","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D.P.; Linden, Anthony","Two azasteroidal [3,2-<i>c</i>]pyrazole derivatives: 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate and 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-ol","Acta Crystallographica Section C","2003","59","12","o724","o726","10.1107/S010827010302506X","","","0.71073","MoKα","","0.0493","0.0374","","","0.085","0.0915","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013685","5.0809","0.0002","17.9228","0.0009","24.5005","0.0011","90","","90","","90","","2231.11","0.17","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Alanyl-L-methionine hemihydrate","","- C8 H17 N2 O3.5 S -","- C8 H17 N2 O3.5 S -","- C64 H136 N16 O28 S8 -","8","2","SK1679","Görbitz, Carl Henrik","Water polymers in <small>L</small>-alanyl-<small>L</small>-methionine hemihydrate","Acta Crystallographica Section C","2003","59","12","o730","o732","10.1107/S0108270103025782","","","0.71073","MoKα","","0.0595","0.0402","","","0.0844","0.0901","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013686","9.226","0.0018","16.181","0.003","16.862","0.003","90","","97.55","0.03","90","","2495.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 O -","- C28 H37 N3 O -","- C112 H148 N12 O4 -","4","1","SQ1020","Vladimir N. Nesterov; Tatiana V. Timofeeva; Sergey S. Sarkisov; Alexander Leyderman; Charles Y.-C. Lee; Mikhail Yu. Antipin","3,5-Bis[4-(diethylamino)benzylidene]-1-methyl-4-piperidone and 3,5-bis[4-(diethylamino)cinnamylidene]-1-methyl-4-piperidone: prospective biophotonic materials","Acta Crystallographica Section C","2003","59","11","o605","o608","10.1107/S0108270103020237","","","0.71073","MoKα","","0.1415","0.0525","","","0.1125","0.1328","","","","","","1.186","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013687","20.5823","0.0018","20.5823","0.0018","26.794","0.004","90","","90","","90","","11351","2","110","2","110","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H41 N3 O -","- C32 H41 N3 O -","- C512 H656 N48 O16 -","16","1","SQ1020","Vladimir N. Nesterov; Tatiana V. Timofeeva; Sergey S. Sarkisov; Alexander Leyderman; Charles Y.-C. Lee; Mikhail Yu. Antipin","3,5-Bis[4-(diethylamino)benzylidene]-1-methyl-4-piperidone and 3,5-bis[4-(diethylamino)cinnamylidene]-1-methyl-4-piperidone: prospective biophotonic materials","Acta Crystallographica Section C","2003","59","11","o605","o608","10.1107/S0108270103020237","","","0.71073","MoKα","","0.1405","0.0676","","","0.1634","0.1909","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013688","22.361","0.006","7.939","0.002","31.754","0.009","90","","98.621","0.005","90","","5573","3","100","2","100","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C49.196 H24 B Cl6.392 D2.392 F20 Li N4 Pd2 -","- C49.196 H25.274 B Cl6.392 D1.118 F20 Li N4 Pd2 -","- C196.784 H101.096 B4 Cl25.568 D4.472 F80 Li4 N16 Pd8 -","4","1","SQ1023","Han Shen; Ian M. Steele; Richard F. Jordan","Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-bis(4,4'-dimethyl-2,2'-bipyridine)-2κ^2^<i>N</i>,3κ^2^<i>N</i>-lithium(I)dipalladium(II) tetrakis(pentafluorophenyl)borate dichloromethane 1.196-solvate","Acta Crystallographica Section C","2003","59","10","m405","m406","10.1107/S0108270103018365","","","0.71073","MoKα","","0.083","0.0764","","","0.1783","0.1817","","","","","","1.246","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013689","10.2034","0.0004","10.755","0.0002","14.0941","0.0005","93.987","0.002","102.148","0.002","103.93","0.002","1455.73","0.08","296","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Au N5 O4 P -","- C30 H23 Au N5 O4 P -","- C60 H46 Au2 N10 O8 P2 -","2","1","SQ1026","Hörner, Manfredo; Casagrande, Ivan Carlos; Fenner, Herton; Daniels, Jörg; Beck, Johannes","[1,3-Bis(4-nitrophenyl)triazenido](triphenylphosphine)gold(I)","Acta Crystallographica Section C","2003","59","10","m424","m426","10.1107/S0108270103018481","","","0.71073","MoKα","","","0.047","","","","0.133","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013690","7.0284","0.001","12.935","0.002","13.197","0.002","90","","90","","90","","1199.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(dicyanamido)(diethylenetriamine-κ^3^N)copper(II)","","- C8 H13 Cu N9 -","- C8 H13 Cu N9 -","- C32 H52 Cu4 N36 -","4","1","SQ1027","Jun, Luo; Xi-Geng, Zhou; Lin-Hong, Weng; Xiu-Feng, Hou","Bis(dicyanamido)(diethylenetriamine-κ^3^<i>N</i>)copper(II) and (dicyanamido)(triethylenetetramine-κ^4^<i>N</i>)copper(II) dicyanamide","Acta Crystallographica Section C","2003","59","10","m392","m395","10.1107/S0108270103017621","","","0.71073","MoKα","","0.0268","0.0254","","","0.0585","0.0591","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013691","7.4132","0.0011","15.17","0.002","13.312","0.002","90","","101.881","0.002","90","","1465","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(dicyanamido)(triethylenetetramine-κ^4^N)copper(II) dicyanamide","","- C10 H18 Cu N10 -","- C10 H18 Cu N10 -","- C40 H72 Cu4 N40 -","4","1","SQ1027","Jun, Luo; Xi-Geng, Zhou; Lin-Hong, Weng; Xiu-Feng, Hou","Bis(dicyanamido)(diethylenetriamine-κ^3^<i>N</i>)copper(II) and (dicyanamido)(triethylenetetramine-κ^4^<i>N</i>)copper(II) dicyanamide","Acta Crystallographica Section C","2003","59","10","m392","m395","10.1107/S0108270103017621","","","0.71073","MoKα","","0.0428","0.035","","","0.0838","0.0869","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013692","7.371","0.002","12.139","0.005","28.274","0.011","90","","90","","90","","2529.9","1.6","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^C^1^,O)tellurium(IV)","","- C8 H8 Br3 N O2 Te -","- C8 H8 Br3 N O2 Te -","- C64 H64 Br24 N8 O16 Te8 -","8","2","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.041","0.035","","","0.085","0.087","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013693","11.291","0.006","12.788","0.005","14.332","0.007","90","","112.62","0.03","90","","1910.2","1.6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^C^1^,O)tellurium(II)","","- C8 H8 Br N O Te -","- C8 H8 Br N O Te -","- C64 H64 Br8 N8 O8 Te8 -","8","1","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.051","0.04","","","0.12","0.123","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013694","14.175","0.004","9.582","0.002","15.433","0.004","90","","95.7","0.02","90","","2085.8","0.9","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bromo(3,5-dimethyl-2-nitrophenyl-κ^2^C^1^,O)tellurium(II)","","- C8 H8 Br N O2 Te -","- C8 H8 Br N O2 Te -","- C64 H64 Br8 N8 O16 Te8 -","8","1","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.11","0.043","","","0.076","0.104","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013695","9.968","0.0013","7.972","0.0017","10.056","0.002","90","","90","","90","","799.1","0.3","293","1","293","1","","","","","","","","3","C m c m","-C 2c 2","63","","Trisamarium digallide tristannide","","- Ga1.89 Sm3 Sn3.11 -","- Ga1.893 Sm3 Sn3.107 -","- Ga7.572 Sm12 Sn12.428 -","4","0.25","SQ1031","Tokaychuk, Yaroslav O.; Filinchuk, Yaroslav E.; Fedorchuk, Anatoliy O.; Bodak, Oksana I.","Partial Sn-atom ordering in Sm~3~Ga~0.80{‒~2.48}Sn~4.20{‒~2.52}","Acta Crystallographica Section C","2003","59","12","i125","i127","10.1107/S0108270103024776","","","0.71069","MoKα","","0.031","0.024","","","0.052","0.053","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013696","5.9404","0.0001","8.2158","0.0001","5.7229","0.0001","90","","90","","90","","279.307","0.008","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum Indium Oxide","","- In La O3 -","- In La O3 -","- In4 La4 O12 -","4","0.5","SQ1033","Park, Hyun Min; Lee, Hwack Joo; Park, Sang Hyun; Yoo, Han Ill","Lanthanum indium oxide from X-ray powder diffraction","Acta Crystallographica Section C","2003","59","12","i131","i132","10.1107/S0108270103024806","","","1.5418","CuKα","","0.0304","","","","","","","","0.81","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013697","7.3186","0.0008","7.3934","0.0008","14.5131","0.0016","79.33","0.002","78.867","0.002","62.067","0.002","676.67","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-2-Bromo-1,1'-biphenyl)tricarbonylchromium","","- C15 H9 Br Cr O3 -","- C15 H9 Br Cr O3 -","- C30 H18 Br2 Cr2 O6 -","2","1","SQ1136","Czerwinski, Curtis J.; Guzei, Ilia A.; Cordes, Tanya J.; Czerwinski, Kevin M.; Mlodik, Nevin A.","(η^6^-2-Bromo-1,1'-biphenyl)tricarbonylchromium","Acta Crystallographica Section C","2003","59","12","m499","m500","10.1107/S010827010302362X","","","0.71073","MoKα","","0.038","0.034","","","0.097","0.099","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013698","5.5273","0.0005","13.4315","0.0013","26.074","0.002","90","","90","","90","","1935.7","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","1","SQ1137","Ilia A. Guzei; Robert W. Clark; Steven D. Burke; William T. Lambert","A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor","Acta Crystallographica Section C","2003","59","12","o721","o723","10.1107/S0108270103025757","","","0.71073","MoKα","","0.0561","0.0497","","","0.1315","0.1353","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013699","6.0077","0.0007","15.4106","0.0014","11.0654","0.0013","90","","96.066","0.002","90","","1018.72","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 I O5 -","- C21 H21 I O5 -","- C42 H42 I2 O10 -","2","1","SQ1137","Ilia A. Guzei; Robert W. Clark; Steven D. Burke; William T. Lambert","A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor","Acta Crystallographica Section C","2003","59","12","o721","o723","10.1107/S0108270103025757","","","0.71073","MoKα","","0.0379","0.0284","","","0.0625","0.0653","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013700","15.9236","0.0007","12.4044","0.0006","11.4378","0.0005","90","","123.516","0.002","90","","1883.59","0.15","120","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Ca N2 O14 P4 -","- C8 H24 Ca N2 O14 P4 -","- C32 H96 Ca4 N8 O56 P16 -","4","0.5","SQ1139","Fernández, Daniel; Vega, Daniel; Goeta, Andrés","Alendronate zwitterions bind to calcium cations arranged in columns","Acta Crystallographica Section C","2003","59","12","m543","m545","10.1107/S0108270103025599","","","0.71073","MoKα","","","0.0363","","","","0.0943","","","","","","1.224","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013701","10.748","0.0004","5.895","0.0002","20.465","0.0008","90","","97.03","0.002","90","","1286.9","0.08","173","2","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-(3-Hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","(Z)-2-(3-Hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","SX1126","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2003","59","11","o647","o649","10.1107/S0108270103022339","","","0.71073","MoKα","","0.096","0.054","","","0.105","0.119","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013702","12.1121","0.0005","22.6847","0.0009","11.873","0.0005","90","","90","","90","","3262.2","0.2","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Dihydroxydiphthalatotricobalt(II)","","- C16 H10 Co3 O10 -","- C16 H10 Co3 O10 -","- C128 H80 Co24 O80 -","8","1","TA1414","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Polymeric dihydroxydiphthalatotricobalt(II)","Acta Crystallographica Section C","2003","59","11","m456","m458","10.1107/S0108270103021425","","","0.71073","MoKα","","0.059","0.042","","","0.101","0.104","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013703","6.307","0.001","6.307","0.001","13.615","0.003","90","","90","","90","","541.58","0.17","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","Tetraaquacobalt(II) bis[vanadyl(IV) phosphate]","","- Co H8 O14 P2 V2 -","- Co H8 O14 P2 V2 -","- Co2 H16 O28 P4 V4 -","2","0.125","TA1416","Bi-Zhou Lin; Xiao-Ke Pei; Pei-De Liu","Tetraaquacobalt(II) bis[vanadyl(IV) phosphate], [Co(H~2~O)~4~][VO(PO~4~)]~2~","Acta Crystallographica Section C","2003","59","10","i97","i99","10.1107/S0108270103017219","","","0.71069","MoKα","","0.0325","0.0309","","","0.0856","0.0867","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013704","12.4386","0.0019","12.4386","0.0019","12.4386","0.0019","90","","90","","90","","1924.5","0.5","296","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dimagnesium trivanadium tridecaoxide","","- Ca2 Mg2 Na O12 V3 -","- Ca2.0001 Mg2 Na0.9999 O12 V3 -","- Ca16.0008 Mg16 Na7.9992 O96 V24 -","8","0.0833333","TA1417","Nakatsuka, Akihiko; Ikuta, Yasuaki; Yoshiasa, Akira; Iishi, Kazuake","Vanadate garnet, Ca~2~NaMg~2~V~3~O~12~","Acta Crystallographica Section C","2003","59","12","i133","i135","10.1107/S0108270103023035","","","0.71069","MoKα","","","0.011","","","","0.01","","","","","","1.58","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013705","27.574","0.007","9.018","0.004","16.974","0.003","90","","125.23","0.02","90","","3448","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[[[tetraaquamagnesium(I)]-μ-4,4'-bipyridine-κ^2^N:N'] diiodide bis(4,4'-bipyridine) solvate]","","- C30 H32 I2 Mg N6 O4 -","- C30 H32 I2 Mg N6 O4 -","- C120 H128 I8 Mg4 N24 O16 -","4","0.5","TA1418","Skelton, Brian W.; Waters, A. Fiona; Whitaker, Claire R.; White, Allan H.","Magnesium iodide‒4,4'-bipyridine‒water (1/3/4) and strontium iodide‒4,4'-bipyridine‒propan-1-ol (1/2.5/2)","Acta Crystallographica Section C","2003","59","11","m435","m438","10.1107/S0108270103020407","","","0.71073","MoKα","","0.059","0.04","","0.056","","0.052","","","1.119","","","1.023","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013706","15.365","0.002","12.392","0.002","20.979","0.002","90","","118.493","0.008","90","","3510.6","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[[μ-4,4'-bipyridine-bis[diiodobis(propan-1-ol)strontium(I)]]- di-μ-4,4'-bipyridine-κ^4^N:N'] bis(4,4'-bipyridine) solvate] [Sr~2~I~4~(C~10~H~8~N~2~)~3~(C~3~H~8~O)~4~].2C~10~H~8~N~2~","","- C62 H72 I4 N10 O4 Sr2 -","- C62 H72 I4 N10 O4 Sr2 -","- C124 H144 I8 N20 O8 Sr4 -","2","0.5","TA1418","Skelton, Brian W.; Waters, A. Fiona; Whitaker, Claire R.; White, Allan H.","Magnesium iodide‒4,4'-bipyridine‒water (1/3/4) and strontium iodide‒4,4'-bipyridine‒propan-1-ol (1/2.5/2)","Acta Crystallographica Section C","2003","59","11","m435","m438","10.1107/S0108270103020407","","","0.71073","MoKα","","0.077","0.044","","0.057","","0.05","","","1.162","","","1.259","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013707","8.6623","0.0003","18.6501","0.0007","16.7546","0.0006","90","","92.68","0.001","90","","2703.79","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)]","","- C28 H20 N2 O8 Ru2 -","- C28 H20 N2 O8 Ru2 -","- C112 H80 N8 O32 Ru8 -","4","1","TA1419","Deacon, Glen B.; Pearson, Pauline; Skelton, Brian W.; Spiccia, Leone; White, Allan H.","Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)] (new polymorph) and di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]","Acta Crystallographica Section C","2003","59","12","m537","m539","10.1107/S0108270103023709","","","0.71073","MoKα","","0.033","0.026","","0.041","","0.039","","","1.113","","","1.133","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013708","9.211","0.002","9.292","0.002","15.266","0.004","105.28","0.006","94.669","0.006","111.726","0.006","1147.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]","","- C18 H10 F6 N2 O8 Ru2 -","- C18 H10 F6 N2 O8 Ru2 -","- C36 H20 F12 N4 O16 Ru4 -","2","1","TA1419","Deacon, Glen B.; Pearson, Pauline; Skelton, Brian W.; Spiccia, Leone; White, Allan H.","Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)] (new polymorph) and di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]","Acta Crystallographica Section C","2003","59","12","m537","m539","10.1107/S0108270103023709","","","0.71073","MoKα","","0.039","0.033","","0.064","","0.06","","","1.069","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013709","9.776","0.002","8.211","0.002","10.224","0.002","90","","99.75","0.03","90","","808.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dibismuth oxalate hexahydrate","tetraaquatri-μ-oxalato-dibismuth(III) dihydrate","","- C6 H12 Bi2 O18 -","- C6 Bi2 O18 -","- C12 Bi4 O36 -","2","0.5","TA1420","Kolitsch, Uwe","Two bismuth oxalate hydrates and revision of their chemical formulae","Acta Crystallographica Section C","2003","59","12","m501","m504","10.1107/S0108270103023618","","","0.71073","MoKα","","0.0224","0.0191","","","0.0464","0.0476","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013710","9.194","0.002","9.458","0.002","11.176","0.002","101.15","0.03","101.76","0.03","106.17","0.03","880.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bismuth oxalate octahydrate","tetraaquatri-μ-oxalato-dibismuth(III) tetrahydrate","","- C6 H16 Bi2 O20 -","- C6 Bi2 O20 -","- C12 Bi4 O40 -","2","1","TA1420","Kolitsch, Uwe","Two bismuth oxalate hydrates and revision of their chemical formulae","Acta Crystallographica Section C","2003","59","12","m501","m504","10.1107/S0108270103023618","","","0.71073","MoKα","","0.0398","0.0276","","","0.0627","0.0671","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013711","8.4727","0.001","10.2699","0.001","8.0696","0.001","90","","116.17","0.002","90","","630.19","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cu N4 O6 S2 -","- C4 H16 Cu N4 O6 S2 -","- C8 H32 Cu2 N8 O12 S4 -","2","0.5","TA1422","Kim, Yang; Skelton, Brian W.; White, Allan H.","<i>catena</i>-Poly[[<i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dithionato-κ^2^<i>O</i>:<i>O</i>'] and <i>trans</i>-diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) dithionate","Acta Crystallographica Section C","2003","59","12","m546","m548","10.1107/S0108270103025447","","","0.71073","MoKα","","0.027","0.023","","0.032","","0.031","","","1.067","","","1.1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013712","15.5","0.002","7.098","0.001","7.224","0.001","90","","90","","90","","794.78","0.19","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6 H24 Cu N4 O8 S2 -","- C6 H24 Cu N4 O8 S2 -","- C12 H48 Cu2 N8 O16 S4 -","2","0.25","TA1422","Kim, Yang; Skelton, Brian W.; White, Allan H.","<i>catena</i>-Poly[[<i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dithionato-κ^2^<i>O</i>:<i>O</i>'] and <i>trans</i>-diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) dithionate","Acta Crystallographica Section C","2003","59","12","m546","m548","10.1107/S0108270103025447","","","0.71073","MoKα","","0.039","0.035","","0.042","","0.041","","","1.178","","","1.206","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013713","11.619","0.001","14.109","0.003","23.517","0.003","90","","90","","90","","3855.2","1","296","2","296","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","cis-chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","","- C11 H27 Cl5 Co N5 Zn -","- C11 H27 Cl5 Co N5 Zn -","- C88 H216 Cl40 Co8 N40 Zn8 -","8","1","TA1423","Bernhardt, Paul V.; Macpherson, Brendan P.","Geometric isomers of chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","Acta Crystallographica Section C","2003","59","11","m467","m470","10.1107/S0108270103021711","","","0.71073","MoKα","","0.029","0.022","","","0.054","0.056","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013714","11.9431","0.0009","12.167","0.001","13.967","0.0007","90","","99.165","0.007","90","","2003.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","","- C11 H27 Cl5 Co N5 Zn -","- C11 H27 Cl5 Co N5 Zn -","- C44 H108 Cl20 Co4 N20 Zn4 -","4","1","TA1423","Bernhardt, Paul V.; Macpherson, Brendan P.","Geometric isomers of chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","Acta Crystallographica Section C","2003","59","11","m467","m470","10.1107/S0108270103021711","","","0.71073","MoKα","","0.061","0.034","","","0.083","0.095","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013715","7.4158","0.0005","8.9373","0.0008","16.228","0.002","90","","100.218","0.007","90","","1058.49","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-cyano(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) bis(perchlorate) hydrate","","- C12 H29 Cl2 Co N6 O9 -","- C12 H29 Cl2 Co N6 O9 -","- C24 H58 Cl4 Co2 N12 O18 -","2","1","TA1425","Bernhardt, Paul V.; Macpherson, Brendan P.","<i>trans</i>-Cyano(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate) hydrate and <i>trans</i>-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate)","Acta Crystallographica Section C","2003","59","12","m533","m536","10.1107/S0108270103023370","","","0.71073","MoKα","","0.032","0.029","","","0.072","0.075","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013716","14.817","0.005","9.535","0.002","15.409","0.008","90","","115.91","0.03","90","","1958.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) bis(perchlorate)","","- C11 H28 Cl2 Co N5 O9 -","- C11 H28 Cl2 Co N5 O9 -","- C44 H112 Cl8 Co4 N20 O36 -","4","1","TA1425","Bernhardt, Paul V.; Macpherson, Brendan P.","<i>trans</i>-Cyano(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate) hydrate and <i>trans</i>-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate)","Acta Crystallographica Section C","2003","59","12","m533","m536","10.1107/S0108270103023370","","","0.71073","MoKα","","0.081","0.049","","","0.124","0.142","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013717","6.0043","0.0013","11.048","0.0018","23.763","0.003","101.882","0.014","91.135","0.013","95.216","0.012","1535","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[(2,2-Dimethyl-1,3-propanediamine-κ^2^N,N')(piperidine-2-carboxylato- κ^2^N,O)platinum(II)] sulfate","","- C22 H48 N6 O8 Pt2 S -","- C22 H48 N6 O8 Pt2 S -","- C44 H96 N12 O16 Pt4 S2 -","2","1","TA1426","Rita Song; Kwan Mook Kim; Youn Soo Sohn","Bis[(2,2-dimethyl-1,3-propanediamine-κ^2^<i>N</i>,<i>N</i>')(piperidine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)] sulfate","Acta Crystallographica Section C","2003","59","12","m555","m557","10.1107/S0108270103025678","","","0.71073","MoKα","","0.046","0.0267","","","0.0599","0.0645","","","","","","1.09","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013718","10.3152","0.0013","13.5764","0.0017","13.8415","0.0018","90","","96.345","0.002","90","","1926.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H46 F6 N2 O2 P2 Pd -","- C37 H46 F6 N2 O2 P2 Pd -","- C74 H92 F12 N4 O4 P4 Pd2 -","2","1","TR1065","Masui, Dai; Ohnuki, Masatoshi; Yamaguchi, Motowo; Yamagishi, Takamichi","{Bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphoshine-κ^2^<i>N</i>,<i>P</i>}(1,3-dimethyl-π-allyl-κ^3^<i>C</i>)palladium(II) hexafluorophosphate and (<i>S</i>)~P~-{bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphosphine-κ^2^<i>N</i>,<i>P</i>}dichloropalladium(II)","Acta Crystallographica Section C","2003","59","11","m487","m490","10.1107/S010827010302170X","","","0.71073","MoKα","","0.0316","0.0296","","","0.0735","0.0743","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013719","10.2172","0.0013","13.358","0.0018","22.858","0.003","90","","90","","90","","3119.7","0.7","83","2","83","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl2 N2 O2 P Pd -","- C32 H37 Cl2 N2 O2 P Pd -","- C128 H148 Cl8 N8 O8 P4 Pd4 -","4","1","TR1065","Masui, Dai; Ohnuki, Masatoshi; Yamaguchi, Motowo; Yamagishi, Takamichi","{Bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphoshine-κ^2^<i>N</i>,<i>P</i>}(1,3-dimethyl-π-allyl-κ^3^<i>C</i>)palladium(II) hexafluorophosphate and (<i>S</i>)~P~-{bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphosphine-κ^2^<i>N</i>,<i>P</i>}dichloropalladium(II)","Acta Crystallographica Section C","2003","59","11","m487","m490","10.1107/S010827010302170X","","","0.71073","MoKα","","0.0422","0.036","","","0.0723","0.0913","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013720","6.9776","0.0014","11.779","0.002","15.997","0.003","90","","90","","90","","1314.8","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C4 H12 B2 F2 Ge3 N2 O9 -","- C4 H12 B2 F2 Ge3 N2 O9 -","- C16 H48 B8 F8 Ge12 N8 O36 -","4","0.5","TR1066","Li, Yang-feng; Zou, Xiaodong","(C~4~N~2~H~12~)[(GeO~2~)~3~(BO~1.5~F)~2~], a layered borogermanate containing three- and nine-membered rings","Acta Crystallographica Section C","2003","59","11","m471","m472","10.1107/S0108270103021747","","","0.71073","MoKα","","0.0254","0.0192","","","0.0442","0.0455","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013721","6.447","0.003","9.942","0.004","6.455","0.003","90","","115.148","0.007","90","","374.5","0.3","150","2","150","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","hexaaquamagnesium(II) benzene-1,2,4,5-tetracarboxylate(2-)","","- C10 H16 Mg O14 -","- C10 H16 Mg O14 -","- C10 H16 Mg O14 -","1","0.25","TR1069","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~]","Acta Crystallographica Section C","2003","59","12","m505","m508","10.1107/S0108270103023175","","","0.71073","MoKα","","0.0661","0.0608","","","0.1641","0.1705","","","","","","1.171","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013722","6.6497","0.0004","19.1205","0.001","6.6971","0.0004","90","","116.865","0.002","90","","759.61","0.08","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","pentaaqua[benzene-1,2,4,5-tetracarboxylate(2-)]barium(II)","","- C10 H14 Ba O13 -","- C10 H14 Ba O13 -","- C20 H28 Ba2 O26 -","2","0.5","TR1069","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~]","Acta Crystallographica Section C","2003","59","12","m505","m508","10.1107/S0108270103023175","","","0.71073","MoKα","","0.0164","0.015","","","0.0326","0.0331","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013723","15.6289","0.0008","21.264","0.0011","17.1852","0.0009","90","","112.134","0.002","90","","5290.3","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nonaaquapenta-μ-isophthalato-pentacalcium octahydrate","","- C40 H54 Ca5 O37 -","- C40 H54 Ca5 O37 -","- C160 H216 Ca20 O148 -","4","0.5","TR1070","Dale, Sophie H.; Elsegood, Mark R. J.","{[Ca~5~(C~8~H~4~O~4~)~5~(H~2~O)~9~]·8H~2~O}~<i>n~</i>: the first crystallographically characterized non-transition metal salt of isophthalic acid","Acta Crystallographica Section C","2003","59","12","m540","m542","10.1107/S0108270103023643","","","0.71073","MoKα","","0.047","0.033","","","0.076","0.083","","","","","","1.083","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2013724","10.16","0.005","10.785","0.005","11.942","0.005","66.369","0.005","75.928","0.005","72.005","0.005","1129.4","0.9","293","","293","2","","","","","","","","4","P 1","P 1","1","","Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo- 2,3-dihydro-1H-pyrrole-2-acetate","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C48 H50 N2 O14 -","2","2","TY1001","Akkurt, Mehmet; Öztürk, Sema; Üngören, Hakan; Saçmacı, Mustafa; Fun, Hoong-Kun; Akçamur, Yunus","Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1<i>H</i>-pyrrole-2-acetate","Acta Crystallographica Section C","2003","59","10","o598","o600","10.1107/S0108270103018584","","","0.71073","MoKα","","0.093","0.066","","","0.116","0.127","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""