# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-29T22:11:28+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 C (39,1983-)') AND volume = 57 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
"1200001","15.9407","0.0015","9.1737","0.001","19.015","0.002","90","","90","","90","","2780.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C112 H136 N8 O32 S8 -","8","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0404","0.0327","","","0.0939","0.098","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2011673","9.3105","0.0007","29.929","0.002","7.453","0.006","90","","90.64","0.07","90","","2076.7","1.7","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-hexylammonium dihydrogenarsenate","","- C6 H18 As N O4 -","- C6 H18 As N O4 -","- C48 H144 As8 N8 O32 -","8","2","AV1051","Fábry, Jan; Kroupa, Jan; Císařová, Ivana","Phase transitions in <i>n</i>-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic <i>n</i>-hexyl- and <i>n</i>-octylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","1","22","25","10.1107/S0108270100013834","","","0.71073","MoKα","","0.0969","0.036","","0.0465","","0.0465","","","1.89","2.41","2.41","1.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011674","9.307","0.001","34.936","0.004","7.488","0.001","90","","90.58","0.01","90","","2434.6","0.5","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-octylammonium dihydrogenarsenate","","- C8 H22 As N O4 -","- C8 H22 As N O4 -","- C64 H176 As8 N8 O32 -","8","2","AV1051","Fábry, Jan; Kroupa, Jan; Císařová, Ivana","Phase transitions in <i>n</i>-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic <i>n</i>-hexyl- and <i>n</i>-octylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","1","22","25","10.1107/S0108270100013834","","","0.71073","MoKα","","0.0827","0.0433","","0.0695","","0.0695","","","3.19","4","4","3.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011675","7.725","0.003","10.321","0.003","15.548","0.005","80.26","0.02","77.18","0.02","74.82","0.02","1158.4","0.7","170","1","170","1","","","","","","","","6","P -1","-P 1","2","","(2-Chlorobenzyl)tris(pyridine-2-thiolato)-κ^2^N,S;κ^2^N,S;κS-tin(IV)","","- C22 H18 Cl N3 S3 Sn -","- C22 H18 Cl N3 S3 Sn -","- C44 H36 Cl2 N6 S6 Sn2 -","2","1","AV1054","Markus Schürmann; Friedo Huber; Renato Barbieri","(2-Chlorobenzyl)tris(2-pyridinethiolato)tin(IV)","Acta Crystallographica Section C","2001","57","1","40","41","10.1107/S0108270100015146","","","0.71073","MoKα","","0.046","0.033","","","","0.073","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011676","7.346","0.001","9.6957","0.0006","14.915","0.001","90","","94.69","0.03","90","","1058.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mercury(II) complex of benzothiazole","Catena-(2-methyl-benzo-1-thia-3-azolium-μ-dichloromercurate(II))","","- C8 H7 Cl2 Hg N S -","- C8 H7 Cl2 Hg N S -","- C32 H28 Cl8 Hg4 N4 S4 -","4","1","AV1065","Popović, Zora; Mrvoš-Sermek, Draginja; Soldin, Željka; Tralić-Kulenović, Vesna","<i>catena</i>-Poly[[(2-methyl-1,3-benzothiazole-<i>N</i>)mercury(II)]-di-μ-chloro]","Acta Crystallographica Section C","2001","57","1","20","21","10.1107/S0108270100013846","","","0.71073","MoKα","","0.0797","0.0475","","","","0.1345","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011677","18.1926","0.0002","18.1926","0.0002","8.4442","0.0001","90","","90","","90","","2794.78","0.05","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C21 H40 B7 Cl O Rh2 S -","- C21 H40 B7 Cl O Rh2 S -","- C84 H160 B28 Cl4 O4 Rh8 S4 -","4","1","BJ1000","Bould, Jonathan; Brownless, Annette; Kilner, Colin; Londesborough, Michael; Štíbr, Bohumil; Kennedy, John D.; Thornton-Pett, Mark","[μ-6,9-Cl-8-(OMe)-6,9-(η^5^-C~5~Me~5~)~2~-<i>arachno</i>-6,9,5-Rh~2~SB~7~H~7~]","Acta Crystallographica Section C","2001","57","1","52","54","10.1107/S0108270100015432","","","0.71073","MoKα","","0.0317","0.031","","","","0.0799","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011678","11.7493","0.0001","19.0809","0.0003","14.6006","0.0002","90","","90","","90","","3273.27","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cd N2 O4 P2 S4 -","- C24 H36 Cd N2 O4 P2 S4 -","- C96 H144 Cd4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.071","0.054","","","","0.168","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011679","11.5761","0.0002","18.8015","0.0001","14.7098","0.0002","90","","90","","90","","3201.56","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis(O,O'- diisopropyldithiophosphato-S,S')(1,10-phenanthroline)Iron(II) complex :[Fe{(iPr-dtp)~2~}(phen)]","","- C24 H36 Fe N2 O4 P2 S4 -","- C24 H36 Fe N2 O4 P2 S4 -","- C96 H144 Fe4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.093","0.074","","","","0.127","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011680","6.181","0.001","9.2","0.001","10.691","0.001","90","","102.94","0.01","90","","592.51","0.13","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium glucoheptonate dihydrate","Sodium D-glycero-D-gulo-heptonate dihydrate","","- C7 H17 Na O10 -","- C7 H17 Na O10 -","- C14 H34 Na2 O20 -","2","1","BK1543","Park, Young Ja; Lee, Bo Hyung","Sodium α-glucoheptonate dihydrate","Acta Crystallographica Section C","2001","57","1","12","13","10.1107/S010827010001355X","","","0.7107","MoKα","","0.033","0.032","","","","0.09","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011681","7.113","0.005","9.339","0.007","14.526","0.01","79.14","0.01","85.37","0.01","86.49","0.01","943.5","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-(3'-bromo-4' -hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline","","- C17 H19 Br Cl N3 O4 -","- C17 H19 Br Cl N3 O4 -","- C34 H38 Br2 Cl2 N6 O8 -","2","1","BK1562","Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride","Acta Crystallographica Section C","2001","57","1","76","78","10.1107/S0108270100013561","","","0.71073","MoKα","","0.0514","0.037","","","","0.1","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011682","9.4851","0.0007","10.3688","0.0008","15.9106","0.0012","90.954","0.001","99.108","0.001","95.438","0.001","1537.3","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","4-(3'-Hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline","","- C16 H16 Cl N3 O3 -","- C16 H16 Cl N3 O3 -","- C64 H64 Cl4 N12 O12 -","4","2","BK1562","Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride","Acta Crystallographica Section C","2001","57","1","76","78","10.1107/S0108270100013561","","","0.71073","MoKα","","0.1061","0.043","","","","0.091","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011683","16.113","0.004","19.079","0.005","17.227","0.004","90","","92.873","0.005","90","","5289","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Fe N9 O15 S3 -","- C57 H49 Fe N9 O15 S3 -","- C228 H196 Fe4 N36 O60 S12 -","4","1","","Deng, Robert M. K.; Simon, Sabitha; Dillon, Keith B.; Goeta, Andres E.","A saccharinate-iron(II) complex with a free saccharin molecule present: [Fe(phen)~3~]sac~2~.sacH.6H~2~O","Acta Crystallographica, Section C","2001","57","","04","06","10.1107/S0108270100013093","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011684","8.0516","0.0012","8.1214","0.0012","9.9064","0.0015","88.427","0.004","86.171","0.004","67.868","0.003","598.71","0.16","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Trimethoxy-3-(1-chlorovinyl)benzaldehyde","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C24 H26 Cl2 O8 -","2","1","BM1428","Panda, Atulya K.; Parthasarathy, M. R.; Errington, William","3-(1-Chlorovinyl)-2,4,6-trimethoxybenzaldehyde","Acta Crystallographica Section C","2001","57","1","102","103","10.1107/S0108270100014700","","","0.71073","MoKα","","0.0508","0.0464","","","","0.1369","","","","","","1.102","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011685","4.8355","0.0008","11.583","0.002","17.304","0.003","90","","90","","90","","969.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phenazine-2,3-diamine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","BM1429","Doyle, Robert P.; Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark.","Phenazine-2,3-diamine","Acta Crystallographica Section C","2001","57","1","104","105","10.1107/S0108270100014712","","","0.71073","MoKα","","0.05","0.041","","","","0.1148","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011686","9.2035","0.0002","15.9788","0.0005","13.2013","0.0003","90","","99.67","0.002","90","","1913.81","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5,6:8,9-bis-μH-4-carbonyl-4-hydrido-4-bis(trimethylphosphine)-4-irido- arachno-nonaborane(12)","","- C7 H31 B8 Ir O P2 -","- C7 H31 B8 Ir O P2 -","- C28 H124 B32 Ir4 O4 P8 -","4","1","BR1295","Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.","Two iridanonaborane compounds","Acta Crystallographica Section C","2001","57","1","49","51","10.1107/S0108270100015213","","","0.71073","MoKα","","0.042","0.041","","","","0.105","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011687","9.2655","0.0001","12.1784","0.0001","16.8668","0.0001","90","","94.702","0.001","90","","1896.83","0.03","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2,5:6,9:8,9-tri-μH-2-carbonyl-4-chloro-2-bis(trimethylphosphine)-2-irido- nido-nonaborane(11)","","- C7 H28 B8 Cl Ir O P2 -","- C7 H28 B8 Cl Ir O P2 -","- C28 H112 B32 Cl4 Ir4 O4 P8 -","4","1","BR1295","Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.","Two iridanonaborane compounds","Acta Crystallographica Section C","2001","57","1","49","51","10.1107/S0108270100015213","","","0.71073","MoKα","","0.021","0.017","","","","0.041","","","","","","1.167","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011688","20.013","0.006","13.456","0.003","11.424","0.003","90","","90","","90","","3076.4","1.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Dimethylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C11 H17 N5 O2 S2 -","- C11 H17 N5 O2 S2 -","- C88 H136 N40 O16 S16 -","8","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","3.22","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011689","7.354","0.003","9.098","0.004","21.738","0.008","90","","97.33","0.02","90","","1442.5","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C10 H15 N5 O2 S2 -","- C10 H15 N5 O2 S2 -","- C40 H60 N20 O8 S8 -","4","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","2.94","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011690","10.271","0.003","6.836","0.0002","19.642","0.002","90","","90","","90","","1379.1","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Diethylamino-6-methylamino-5-nitropyrimidinium chloride monohydrate","","- C9 H18 Cl N5 O3 -","- C9 H18 Cl N5 O3 -","- C36 H72 Cl4 N20 O12 -","4","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","2.86","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2011691","9.276","0.0003","9.276","0.0003","22.464","0.0008","90","","90","","120","","1673.9","","298","","298","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- As3 Na2.88 O12 Sc2 -","- As3 Na2.906 O12 Sc2 -","- As18 Na17.436 O72 Sc12 -","6","0.166667","","Harrison, William T. A.; Phillips, Mark L. F.","Sodium scandium arsenate, Na~3~Sc~2~(AsO~4~)~3~","Acta Crystallographica, Section C","2001","57","","02","03","10.1107/S010827010001372X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011692","10.518","0.003","15.18","0.008","17.618","0.006","90","","98.85","0.02","90","","2779.5","1.9","295","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H30 Br2 N4 Ni O4 Zn -","- C23 H30 Br2 N4 Ni O4 Zn -","- C92 H120 Br8 N16 Ni4 O16 Zn4 -","4","1","DA1133","Arıcı, Cengiz; Svoboda, Ingrid; Sarı, Musa; Atakol, Orhan; Fuess, Hartmut","{Bis(<i>N</i>,<i>N</i>-dimethylformamide)[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]nickel(II)}dibromozinc(II)","Acta Crystallographica Section C","2001","57","1","31","32","10.1107/S0108270100014487","","","0.71073","MoKα","","","0.039","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011693","9.3677","0.001","21.991","0.004","9.4564","0.0011","90","","115.827","0.009","90","","1753.5","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H48 O12 S2 -","- C33 H48 O12 S2 -","- C66 H96 O24 S4 -","2","1","DA1143","Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M.","10-Deacetyl baccatin III dimethyl sulfoxide disolvate","Acta Crystallographica Section C","2001","57","1","64","65","10.1107/S0108270100011781","","","0.71073","MoKα","","","0.0556","","","0.136","","","","","1.084","1.084","","","","","has coordinates,has disorder,has Fobs","199684","2020-10-21","18:00:00",""
"2011694","10.371","0.002","7.102","0.0014","20.446","0.004","90","","94.07","0.03","90","","1502.1","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Catena-poly[[diaqua(phenanthroline-N,N') manganese(II)-μu-(thiosulfato-O:S)]","","- C12 H12 Mn N2 O5 S2 -","- C12 H8 Mn N2 O5 S2 -","- C48 H32 Mn4 N8 O20 S8 -","4","2","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)]-μ-(thiosulfato-<i>O</i>:<i>S</i>)] and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(tetrathionato-<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.067","0.062","","","","0.193","","","","","","1.188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011695","15.33","0.003","9.889","0.002","16.061","0.003","90","","90","","90","","2434.8","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridyl-N,N') manganese(II) tetrathionate O,O'","","- C20 H16 Mn N4 O6 S4 -","- C20 H16 Mn N4 O6 S4 -","- C80 H64 Mn4 N16 O24 S16 -","4","0.5","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)]-μ-(thiosulfato-<i>O</i>:<i>S</i>)] and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(tetrathionato-<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.145","0.052","","","","0.183","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011696","12.047","0.002","7.808","0.002","9.718","0.001","90","","108.71","0.01","90","","865.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-phenylmaleimide adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","2-phenyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benz[e]isoindole-6-spiro- 2'-[1,3]oxathiolane-1,3-dione","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","1.54178","CuKα","","0.051","0.049","","","","0.125","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011697","13.258","0.002","7.3897","0.0017","14.2874","0.0013","90","","105.944","0.009","90","","1345.9","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Methyl-1,3,4-triazoline-2,5-dione adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","2-methyl-5,7,8,9,10,10a-hexahydro-1H-1,2,4-triazolo[1,2-a]cinnoline-7-spiro- 2'-[1,3]oxathiolane-1,3-dione","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","0.71069","MoKα","","0.113","0.042","","","","0.13","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011698","6.812","0.003","10.494","0.007","11.023","0.005","96.014","0.007","90.97","0.01","90.21","0.02","783.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Dimethylacetylene dicarboxylate adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","dimethyl 1,2,3,4,4a,7-hexahydronaphthalene-1-spiro-2'-[1,3]oxathiolane-5,6-dicarboxylate","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C32 H40 O10 S2 -","2","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","1.54178","CuKα","","0.067","0.054","","","","0.17","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011699","10.369","0.002","20.791","0.003","8.071","0.003","90","","90","","90","","1740","0.8","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-Oxa-4-thiaspiro[4.5]decane","ethyl 6-benzylidene-1-oxa-4-thiaspiro[4.5]decane-7-acetate","","- C19 H24 O3 S -","- C19 H24 O3 S -","- C76 H96 O12 S4 -","4","1","DA1149","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","Acta Crystallographica Section C","2001","57","1","79","81","10.1107/S0108270100013603","","","0.71069","MoKα","","0.129","0.044","","","","0.14","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011700","7.243","0.002","11.541","0.001","22.18","0.005","90","","94.09","0.02","90","","1849.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-Oxa-4-thiaspiro[4.5]decane","2-(6-ethylidene-1-oxa-4-thiaspiro[4.5]decan-7-yl)ethyl 4-bromobenzoate","","- C19 H23 Br O3 S -","- C19 H23 Br O3 S -","- C76 H92 Br4 O12 S4 -","4","1","DA1149","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","Acta Crystallographica Section C","2001","57","1","79","81","10.1107/S0108270100013603","","","1.54178","CuKα","","0.091","0.054","","","","0.164","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011701","7.375","0.002","20.065","0.003","9.8088","0.0009","90","","91.717","0.007","90","","1450.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)","","- C10 H20 Co N5 O5 -","- C10 H20 Co N5 O5 -","- C40 H80 Co4 N20 O20 -","4","1","DA1150","Chun, Hyungphil; Bernal, Ivan","Conformational isomers of neutral <i>trans</i>-dinitrocobalt(III) complexes","Acta Crystallographica Section C","2001","57","1","33","35","10.1107/S0108270100014463","","","0.71073","MoKα","","0.0514","0.026","","0.0697","","0.0643","","","1.014","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011702","7.923","0.003","13.105","0.001","14.0273","0.0013","90","","91.908","0.01","90","","1455.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)","","- C10 H20 Co N5 O5 -","- C10 H20 Co N5 O5 -","- C40 H80 Co4 N20 O20 -","4","1","DA1150","Chun, Hyungphil; Bernal, Ivan","Conformational isomers of neutral <i>trans</i>-dinitrocobalt(III) complexes","Acta Crystallographica Section C","2001","57","1","33","35","10.1107/S0108270100014463","","","0.71073","MoKα","","0.0501","0.0323","","0.1093","","0.1048","","","1.142","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011703","8.9499","0.0009","14.5","0.002","7.7348","0.0011","90","","101.63","0.01","90","","983.2","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cu S6 -","- C12 H24 Cl2 Cu S6 -","- C24 H48 Cl4 Cu2 S12 -","2","0.5","DA1153","Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","<i>catena</i>-Poly[[<i>trans</i>-dichlorocopper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-<i>S</i>^1^:<i>S</i>^10^]","Acta Crystallographica Section C","2001","57","1","36","37","10.1107/S0108270100014475","","","1.5418","CuKα","","0.0492","0.0397","","0.107","0.0981","","","","1.03","1.06","1.06","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011704","8.0595","0.0007","3.8631","0.0002","11.812","0.001","90","","90.16","0.008","90","","367.76","0.05","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","p-Formamidebenzoic acid","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C16 H14 N2 O6 -","2","1","DA1154","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","<i>p</i>-Formamidobenzoic acid","Acta Crystallographica Section C","2001","57","1","86","87","10.1107/S0108270100013615","","","1.54184","CuKα","","0.046","0.046","","0.129","","0.129","","","1.134","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011705","11.088","0.002","6.884","0.001","21.976","0.004","90","","90","","90","","1677.4","0.5","293","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-phenyl-4-nitroimidazole","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.0504","0.0349","","","","0.0957","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011706","14.143","0.003","3.888","0.001","20.66","0.004","90","","94.92","0.03","90","","1131.9","0.4","293","2","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-phenyl-4-imidazolyl)-4-nitroimidazole","","- C12 H9 N5 O2 -","- C12 H9 N5 O2 -","- C48 H36 N20 O8 -","4","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.1627","0.0456","","","","0.1047","","","","","","0.781","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011707","9.026","0.001","12.623","0.002","10.683","0.001","90","","113.9","0.01","90","","1112.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{2-[bis(2-aminoethyl)amino]ethanol}-nickel(II) perchlorate","","- C12 H34 Cl2 N6 Ni O10 -","- C12 H34 Cl2 N6 Ni O10 -","- C24 H68 Cl4 N12 Ni2 O20 -","2","0.5","DE1158","Xia, Jiang; Sun, Wei-Yin; Xu, Yan; Yu, Kai-Bei; Tang, Wen-xia","Hydrogen bonds in the framework of bis{2-[bis(2-aminoethyl)amino]ethanol}nickel(II) diperchlorate","Acta Crystallographica Section C","2001","57","1","38","39","10.1107/S0108270100014682","","","0.71073","MoKα","","0.0454","0.0367","","","","0.1052","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011708","8.169","0.016","12.841","0.003","14.772","0.003","72.6","0.03","75.54","0.03","72.64","0.03","1389","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.","3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","2","FR1299","Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman","Hydrogen bonding in two tetracyclic indole alkaloids","Acta Crystallographica Section C","2001","57","1","97","99","10.1107/S0108270100014220","","","0.71073","MoKα","","0.0786","0.0466","","","","0.1306","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011709","7.307","0.015","9.405","0.002","10.989","0.002","94.82","0.03","108.84","0.03","90.96","0.03","711.4","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohytrate","3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohydrate","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","FR1299","Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman","Hydrogen bonding in two tetracyclic indole alkaloids","Acta Crystallographica Section C","2001","57","1","97","99","10.1107/S0108270100014220","","","0.71073","MoKα","","0.1574","0.0624","","0.1668","","0.1167","","","1.031","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011710","13.462","0.004","5.079","0.004","14.127","0.004","90","0.04","111.53","0.04","90","0.04","898.5","0.8","293","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylindole-3-carboxyaldehyde oxime","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","2","GD1087","Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.","1-Methylindole-3-carboxaldehyde oxime derivatives","Acta Crystallographica Section C","2001","57","1","58","61","10.1107/S0108270100005795","","","1.5418","CuKα","","0.144","0.049","","","","0.129","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011711","8.2351","0.0002","15.8892","0.0007","17.807","0.0011","71.148","0.004","81.245","0.004","75.124","0.003","2125.02","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-5-Methoxy-1-Methylindole-3-carboxyaldehyde oxime","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","4","GD1087","Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.","1-Methylindole-3-carboxaldehyde oxime derivatives","Acta Crystallographica Section C","2001","57","1","58","61","10.1107/S0108270100005795","","","1.5418","CuKα","","0.11","0.054","","","","0.173","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011712","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG1019","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Joshi, Balwant Shankar","Pseudokobusine","Acta Crystallographica Section C","2001","57","1","68","69","10.1107/S0108270100012828","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011713","24.6342","0.0007","11.7501","0.0002","21.4967","0.0007","90","","102.397","0.001","90","","6077.2","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6,9,16,19,22-Hexa-azatricyclo[22.2.2.2^11,14^]triconta- 1(26),11(29),12,14(30),24,27-hexaene‒3,5-dinitrobenzoic acid‒methanol (1/4/2)","","- C54 H62 N14 O26 -","- C54 H62 N14 O26 -","- C216 H248 N56 O104 -","4","0.5","GG1023","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A hydrogen-bonded adduct containing seven-component supramolecular aggregates","Acta Crystallographica Section C","2001","57","1","88","91","10.1107/S0108270100013792","","","0.71073","MoKα","","0.096","0.058","","","","0.137","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011714","10.5885","0.0004","11.584","0.0006","11.8301","0.0006","61.453","0.002","80.999","0.003","64.055","0.003","1143.62","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Trimethylenedipiperidine‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/1)","","- C23 H34 N2 O9 -","- C23 H34 N2 O9 -","- C46 H68 N4 O18 -","2","1","GG1025","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 4,4'-trimethylenedipiperidinium‒2,5-dicarboxybenzene-1,4-dicarboxylate‒water (1/1/1)","Acta Crystallographica Section C","2001","57","1","92","94","10.1107/S0108270100014013","","","0.71073","MoKα","","0.084","0.051","","","","0.118","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011715","12.4285","0.0014","14.4182","0.0014","17.8511","0.0018","90","","100.129","0.003","90","","3149","0.6","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-cyclobutenediylium-1,3-diolate","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C136 H160 N8 O8 S8 -","4","1","GG1026","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3<i>H</i>)-ylidene]methyl}cyclobutenediylium-1,3-diolate","Acta Crystallographica Section C","2001","57","1","126","128","10.1107/S0108270100015626","","","0.71073","MoKα","","0.087","0.041","","","","0.092","","","","","","0.9","","","","has coordinates,has Fobs","194651","2020-10-21","18:00:00",""
"2011716","9.2955","0.0001","8.6076","0.0001","26.5354","0.0003","90","","96.44","0.001","90","","2109.75","0.04","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.041","","","","0.116","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011717","9.4105","0.0002","8.6979","0.0001","26.7515","0.0005","90","","95.993","0.001","90","","2177.69","0.07","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.0448","","","","0.1307","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011718","9.4106","0.0006","8.6993","0.0003","26.7493","0.0016","90","","96","0.005","90","","2177.9","0.2","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.0471","","","","0.1351","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011719","11.0323","0.0007","11.7742","0.0004","14.1121","0.0009","90","","99.38","0.002","90","","1808.6","0.17","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 3-benzyl-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanedioate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","2","GS1100","Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa","Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate","Acta Crystallographica Section C","2001","57","1","62","63","10.1107/S0108270100010830","","","0.71073","MoKα","","0.069","0.052","","","","0.048","","","1.215","","","1.241","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011720","6.6653","0.0006","5.0767","0.0004","22.615","0.002","90","","95.262","0.002","90","","762.02","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","GS1106","Abdelhalim, Guelzim; Belloli, Emmanuelle; Yous, Said; Vaccher, Claude","Absolute configuration of <i>N</i>-[(‒)-2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)ethyl]cyclopropylcarboxamide, a highly potent and selective melatonin analogue","Acta Crystallographica Section C","2001","57","1","100","101","10.1107/S0108270100014724","","","0.71073","MoKα","","0.0392","0.036","","","","0.1069","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011721","7.8836","0.0012","20.134","0.003","6.089","0.004","90","","109.32","0.03","90","","912","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","μ-chloro(tricinato-N,O,O')copper(II)","","","- C6 H12 Cl Cu N O5 -","- C6 H12 Cl Cu N O5 -","- C24 H48 Cl4 Cu4 N4 O20 -","4","1","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Conformational flexibility of tricine as a chelating agent in catena-poly[[(tricinato)copper(II)]-μ-chloro]","Acta Crystallographica, Section C","2001","57","","09","11","10.1107/S0108270100014281","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011722","7.047","0.004","12.9533","0.0013","7.297","0.002","90","","100.25","0.016","90","","655.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl2 Cu N6 O4 -","- C6 H14 Cl2 Cu N6 O4 -","- C12 H28 Cl4 Cu2 N12 O8 -","2","0.5","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Dichlorobis(glycocyamine-O)copper(II)","Acta Crystallographica, Section C","2001","57","","07","08","10.1107/S0108270100013469","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011723","11.8623","0.0002","16.3674","0.0001","14.1767","0.0002","90","","111.943","0.001","90","","2553.08","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichorobis(2-benzyl)benzimidazolo Zinc(II)","","- C28 H24 Cl2 N4 Zn -","- C28 H24 Cl2 N4 Zn -","- C112 H96 Cl8 N16 Zn4 -","4","1","LN1109","Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Bis(2-benzyl-1<i>H</i>-benzimidazole-<i>N</i>^3^)dichorozinc(II)","Acta Crystallographica Section C","2001","57","1","45","46","10.1107/S0108270100014876","","","0.71073","MoKα","","0.082","0.051","","","","0.133","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011724","9.1333","0.0007","7.431","0.0004","14.7171","0.0012","90","","101.052","0.009","90","","980.32","0.13","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,4'-Bipyridine dihydrate","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","2","LN1112","Näther, Christian; Riedel, Jens; Jeß, Inke","4,4'-Bipyridine dihydrate at 130K","Acta Crystallographica Section C","2001","57","1","111","112","10.1107/S0108270100014888","","","0.71073","MoKα","","0.073","0.041","","","","0.126","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011725","9.2248","0.0005","17.6451","0.0015","30.282","0.003","90","","90","","90","","4929.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 Cl3 O7 -","- C51 H69 Cl3 O7 -","- C204 H276 Cl12 O28 -","4","1","NA1482","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","A 1:1:1 chloroform/tetrahydrofuran solvate of <i>p</i>-<i>tert</i>-butyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2001","57","1","70","71","10.1107/S0108270100013329","","","0.71073","MoKα","","0.1356","0.0775","","","","0.213","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011726","12.373","0.002","31.939","0.002","11.064","0.002","90","","90","","90","","4372.3","1.1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H68 O11 -","- C43 H68 O11 -","- C172 H272 O44 -","4","1","NA1483","Allen, Paul; Brimble, Margaret A.; Turner, Peter","Polyether antibiotic CP44,161","Acta Crystallographica Section C","2001","57","1","95","96","10.1107/S0108270100013950","","","0.71069","MoKα","","0.1518","0.0387","","","","0.1258","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011727","7.677","0.002","7.915","0.003","20.408","0.005","90","","99.64","0.02","90","","1222.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(8-quinolyl)-2-pyridinecarboxamide","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","NA1484","Zhang, Junyong; Liu, Qin; Xu, Yan; Zhang, Yong; You, Xiaozeng; Guo, Zijian","<i>N</i>-(8-Quinolyl)pyridine-2-carboxamide","Acta Crystallographica Section C","2001","57","1","109","110","10.1107/S0108270100015158","","","0.71073","MoKα","","0.08","0.046","","","","0.122","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011728","13.5489","0.0013","7.4975","0.001","13.6783","0.0012","90","","110.309","0.008","90","","1303.1","0.3","291","1","291","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl","","- C12 Br2 F8 -","- C12 Br2 F8 -","- C48 Br8 F32 -","4","1","NA1487","Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl","Acta Crystallographica Section C","2001","57","1","113","114","10.1107/S0108270100015419","","","0.71069","MoKα","","0.068","0.034","","","","0.063","","","","","","0.83","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011729","9.56","0.002","10.806","0.002","12.462","0.002","91.96","0.03","96.21","0.03","92.37","0.03","1277.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Cl N8 Sb -","- C32 H16 Cl N8 Sb -","- C64 H32 Cl2 N16 Sb2 -","2","1","NA1489","Janczak, Jan; Kubiak, Ryszard","[Phthalocyaninato(2‒)]antimony(III) chloride","Acta Crystallographica Section C","2001","57","1","55","57","10.1107/S0108270100015420","","","0.71073","MoKα","","0.1174","0.0498","","","","0.0605","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011730","33.622","0.007","10.562","0.002","7.067","0.001","90","","90","","90","","2509.6","0.8","293","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C88 H96 N48 O32 -","8","1","NA1491","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium phthalate","Acta Crystallographica Section C","2001","57","1","123","125","10.1107/S0108270100016607","","","0.71073","MoKα","","0.1267","0.0456","","","","0.1257","","","","","","1.005","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2011731","17.258","0.004","17.614","0.004","6.925","0.002","90","","90","","90","","2105.1","0.9","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Ba Cl2 O7 -","- C6 H6 Ba Cl2 O7 -","- C48 H48 Ba8 Cl16 O56 -","8","1","OA1107","Kashino, Setsuo; Ishida, Hiroyuki; Fukunaga, Takeo; Oishi, Shuji","A new polymorph of barium chloroanilate trihydrate","Acta Crystallographica Section C","2001","57","1","18","19","10.1107/S0108270100013639","","","0.71073","MoKα","","0.071","0.06","","0.067","","0.065","","","1.608","","","1.67","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2011732","7.3928","0.0018","14.1176","0.0011","15.7262","0.0016","92.439","0.008","96.573","0.014","104.249","0.011","1576.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis-[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^N^2^,N^3^]chlorocopper(II) perchlorate","","- C32 H28 Cl2 Cu N8 O4 -","- C32 H28 Cl2 Cu N8 O4 -","- C64 H56 Cl4 Cu2 N16 O8 -","2","1","OA1109","Choi, Ki-Young; Sung, Nack-Do; Yun, Ki-Seob; Park, Young-Soo; Kim, Jin-Gyu; Suh, Il-Hwan","Bis[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^<i>N</i>^2^,<i>N</i>^3^]chlorocopper(II) perchlorate","Acta Crystallographica Section C","2001","57","1","47","48","10.1107/S0108270100015171","","","0.71073","MoKα","","0.107","0.06","","","","0.153","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011733","7.595","0.001","7.498","0.001","27.277","0.002","90","","95.332","0.007","90","","1546.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{[(1E)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro -3H-pyrazol-3-one","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","OS1128","Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel","4-{[(1<i>E</i>)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","Acta Crystallographica Section C","2001","57","1","117","119","10.1107/S0108270100015535","","","1.5418","CuKα","","0.078","0.066","","","","0.18","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011734","7.5259","0.0015","14.25","0.003","14.565","0.003","111.79","0.03","90.72","0.03","90.92","0.03","1449.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-κ^3^N]nickel(II)} bis(tetrathioantimonate)","","","- C24 H78 N18 Ni3 S8 Sb2 -","- C24 H78 N18 Ni3 S8 Sb2 -","- C24 H78 N18 Ni3 S8 Sb2 -","1","0.5","SK1394","Stähler, Ralph; Näther, Christian; Bensch, Wolfgang","Tris{bis[<i>N</i>-(2-aminoethyl)-1,2-ethanediamine-κ^3^<i>N</i>]nickel(II)} bis(tetrathioantimonate)","Acta Crystallographica Section C","2001","57","1","26","27","10.1107/S0108270100014359","","","0.71073","MoKα","","0.038","0.027","","","","0.071","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011735","12.7108","0.0008","7.4801","0.0006","14.2397","0.0009","90","","110.542","0.005","90","","1267.8","0.16","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ferrocenylthiophene carboxylic acid","2-(Ferrocenyl)thiophene-3-carboxylic acid","","- C15 H12 Fe O2 S -","- C15 H12 Fe O2 S -","- C60 H48 Fe4 O8 S4 -","4","1","SK1424","Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R.","Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid","Acta Crystallographica Section C","2001","57","1","28","30","10.1107/S0108270100014360","","","0.71073","MoKα","","0.045","0.033","","","","0.082","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011736","18.169","0.004","9.801","0.002","12.726","0.003","90","","126.96","0.03","90","","1810.8","1","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","(-)-Argemonine hemihydrate","(6S,12S)-2,3,8,9-tetramethoxy-13-methyl-13- azadibenzo[b,f]bicyclo[3.3.1]nona-2,6-diene hemihydrate","","- C21 H26 N O4.5 -","- C21 H26 N O4.5 -","- C84 H104 N4 O18 -","4","1","SX1108","Nečas, Marek; Dostál, Jiří; Slavík, Jiří","(‒)-Argemonine hemihydrate","Acta Crystallographica Section C","2001","57","1","66","67","10.1107/S010827010001252X","","","0.71073","MoKα","","0.028","0.028","","","","0.077","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011737","10.5807","0.0015","5.65","0.002","12.093","0.003","90","0.03","113.83","0.01","90","0.02","661.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium oxalate","Glycinium oxalate","","- C4 H7 N O6 -","- C4 H7 N O6 -","- C16 H28 N4 O24 -","4","1","VJ1115","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","Glycinium oxalate","Acta Crystallographica Section C","2001","57","1","115","116","10.1107/S0108270100015456","","","1.5418","CuKα","","0.0362","0.0358","","","","0.1059","","","","","","1.205","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011738","13.5437","0.0005","8.8923","0.0001","9.7121","0.0004","90","","103.593","0.002","90","","1136.91","0.06","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua(η^2^-allylammonium)bis(sulfamato-N)copper(I)","","- C3 H14 Cu N3 O7 S2 -","- C3 H14 Cu N3 O7 S2 -","- C12 H56 Cu4 N12 O28 S8 -","4","1","AV1052","Melnyk, Oksana P.; Schollmeyer, Dieter; Olijnyk, Volodymyr V.; Filinchuk, Yaroslav E.","(η^2^-Allylammonium)aquabis(sulfamato-<i>N</i>)copper(I)","Acta Crystallographica Section C","2001","57","2","151","153","10.1107/S0108270100016218","","","1.54178","CuKα","","0.042","0.0417","","","","0.1167","","","","","","1.251","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011739","6.78","0.001","6.112","0.001","10.694","0.002","90","","107.25","0.01","90","","423.22","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,5-diaminotetrazole","1,5-diaminotetrazole","","- C H4 N6 -","- C H4 N6 -","- C4 H16 N24 -","4","1","AV1058","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.","1,5-Diamino-1<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section C","2001","57","2","185","186","10.1107/S010827010001622X","","","0.71069","MoKα","","0.0459","0.0408","","","","0.1316","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011740","5.944","0.001","11.2","0.002","11.899","0.002","62.58","0.01","87.14","0.02","81.32","0.02","694.9","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Thiophenolate sodium tetramethylethylenediamine","","","- C12 H21 N2 Na S -","- C12 H21 N2 Na S -","- C24 H42 N4 Na2 S2 -","2","1","AV1063","Heigel, Erik; Bock, Hans; Krenzel, Volker; Sievert, Mark","Sodium thiophenolate <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine","Acta Crystallographica Section C","2001","57","2","154","155","10.1107/S0108270100016589","","","0.71073","MoKα","","0.0422","0.0345","","","","0.0939","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011741","8.505","0.003","9.541","0.003","6.827","0.002","90","","115.33","0.03","90","","500.7","0.3","145.2","","145.2","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Quinolizinium hexafluorophosphate","","- C9 H8 F6 N P -","- C9 H8 F6 N P -","- C18 H16 F12 N2 P2 -","2","0.25","BJ1008","Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki","Quinolizinium hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","174","175","10.1107/S0108270100015742","","","0.7107","MoKα","","0.028","0.025","","","","0.068","","","","","","1.086","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011742","17.3138","0.0005","7.333","0.0001","16.8507","0.0005","90","","117.838","0.001","90","","1891.81","0.08","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2',4',6'-trihydroxy-1-methoxyacetophenone","","- C9 H12 O6 -","- C9 H12 O6 -","- C72 H96 O48 -","8","1","BJ1012","Ferreira, Ester S. B.; Hulme, Alison N.; McNab, Hamish; Parsons, Simon; Quye, Anita","2',4',6'-Trihydroxy-1-methoxyacetophenone monohydrate at 150K","Acta Crystallographica Section C","2001","57","2","211","212","10.1107/S0108270100018485","","","0.71073","MoKα","","0.0641","0.0405","","","","0.1091","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011743","10.698","0.005","8.939","0.004","23.026","0.011","90","","91.66","0.04","90","","2201","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C26 H24 O3 P -","- C26 H24 O3 P -","- C104 H96 O12 P4 -","4","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.073","0.043","","","","0.094","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011744","14.815","0.004","16.226","0.005","17.67","0.005","90","","90","","90","","4248","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C24 H23 O3 P -","- C24 H23 O3 P -","- C192 H184 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.138","0.058","","","","0.124","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011745","14.932","0.007","16.343","0.006","17.78","0.007","90","","90","","90","","4339","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","i-Propyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C25 H25 O3 P -","- C25 H25 O3 P -","- C200 H200 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.195","0.089","","","","0.16","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011746","9.668","0.006","13.975","0.008","16.625","0.011","90","","94.69","0.05","90","","2239","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","t-Butyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C26 H27 O3 P -","- C26 H27 O3 P -","- C104 H108 O12 P4 -","4","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.059","0.04","","","","0.101","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011747","10.643","0.003","15.624","0.003","11.349","0.003","90","","110.5","0.012","90","","1767.7","0.8","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-aminopyridinium di(benzenesulfonyl)amidate","","- C17 H17 N3 O4 S2 -","- C17 H17 N3 O4 S2 -","- C68 H68 N12 O16 S8 -","4","2","BM1426","Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXXII. A robust~eight-membered ring motif in the hydrogen-bonded structure of 2-aminopyridinium di(benzenesulfonyl)amidate","Acta Crystallographica Section C","2001","57","2","167","169","10.1107/S010827010001427X","","","0.71073","MoKα","","0.045","0.04","","","","0.103","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011748","7.474","0.003","15.262","0.006","15.87","0.008","90","","90","","90","","1810.3","1.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nodosin","Nodosin","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","BM1432","Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo","Nodosin","Acta Crystallographica Section C","2001","57","2","203","204","10.1107/S0108270100017406","","","0.71073","MoKα","","0.0885","0.047","","","","0.103","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011749","7.1139","0.0009","39.501","0.005","14.7094","0.0013","90","","96.636","0.009","90","","4105.7","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N-(4-chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)","","- C13 H9 Cl N3 O3 V -","- C13 H9 Cl N3 O3 V -","- C156 H108 Cl12 N36 O36 V12 -","12","3","BM1436","Pal, Satyanarayan; Pal, Samudranil","[<i>N</i>-(4-Chlorobenzoyl)-<i>N</i>'-(picolinylidene)hydrazinato]dioxovanadium(V)","Acta Crystallographica Section C","2001","57","2","141","142","10.1107/S0108270100017418","","","0.71073","MoKα","","0.144","0.049","","","","0.126","","","","","","1.013","","","","has coordinates,has Fobs","184014","2020-10-21","18:00:00",""
"2011750","9.0793","0.0003","9.0793","0.0003","14.4862","0.0008","90","","90","","90","","1194.15","0.09","10","2","10","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Cl5 Co Cs3 -","- Cl5 Co Cs3 -","- Cl20 Co4 Cs12 -","4","0.125","BR1294","Figgis, Brian N.; Sobolev, Alexandre N.","Cs~3~CoCl~5~ at 10K","Acta Crystallographica Section C","2001","57","2","139","140","10.1107/S0108270100017297","","","0.71073","MoKα","","0.0206","0.0206","","","","0.0448","","","","","","1.442","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011751","6.6185","0.0005","12.3948","0.0008","14.5069","0.001","90","","90.822","0.001","90","","1189.95","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","sipeimine","3β,20β-dihydroxy-6-one-5α-cevanine","","- C27 H43 N O3 -","- C27 H43 N O3 -","- C54 H86 N2 O6 -","2","1","DE1149","Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Dong, Hui; Mak, Thomas C. W.","Sipeimine, a steroidal alkaloid from <i>Fritillaria</i> <i>roylei</i> Hooker","Acta Crystallographica Section C","2001","57","2","170","171","10.1107/S0108270100014499","","","0.71073","MoKα","","0.0613","0.0413","","","","0.1105","","","","","","0.992","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011752","8.9889","0.001","4.977","0.002","16.79","0.004","90","","90.9","0.01","90","","751.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Bis(Methylglycyl)terephthalamide","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","0.5","DE1152","Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi","<i>N</i>,<i>N</i>'-Bis(methoxycarbonylmethyl)terephthalamide","Acta Crystallographica Section C","2001","57","2","172","173","10.1107/S0108270100014864","","","1.54178","CuKα","","0.075","0.069","","","","0.175","","","","","","1.491","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011753","6.33","0.005","9.007","0.007","12.25","0.01","84.427","0.009","85.113","0.009","79.425","0.009","681.7","0.9","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Di(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole","","- C14 H8 N6 S2 -","- C14 H8 N6 S2 -","- C28 H16 N12 S4 -","2","1","DE1157","Richardson, Chris; Steel, Peter J.","4,4'-Bis(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole","Acta Crystallographica Section C","2001","57","2","197","198","10.1107/S0108270100017431","","","0.71073","MoKα","","0.0566","0.0378","","","","0.0988","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011754","19.5061","0.0019","5.382","0.0005","20.976","0.002","90","","103.897","0.002","90","","2137.6","0.4","193","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diquinoxalino[2,3-a:2*,3*-c]phenazine chloroform","","- C25 H13 Cl3 N6 -","- C25 H13 Cl3 N6 -","- C100 H52 Cl12 N24 -","4","1","DE1159","Du, Miao; Bu, Xian-He; Biradha, Kumar","A large delocalized π-electron system: diquinoxalino[2,3-<i>a</i>:2',3'-<i>c</i>]phenazine chloroform solvate","Acta Crystallographica Section C","2001","57","2","199","200","10.1107/S0108270100017443","","","0.71073","MoKα","","","0.0465","","","","0.0927","","","","","","0.814","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011755","17.134","0.005","18.9575","0.0008","14.0859","0.0006","90","","111.159","0.003","90","","4266.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-aminopyrimidine-N^1^) tetrakis[μ-(4-nitrophenyl)acetato-O:O'] dicopper(II)","","- C40 H34 Cu2 N10 O16 -","- C40 H34 Cu2 N10 O16 -","- C160 H136 Cu8 N40 O64 -","4","1","DE1163","Lynch, Daniel E.; Duckhouse, Helen L.","Tetrakis[μ-(4-nitrophenyl)acetato-<i>O</i>:<i>O</i>']bis[(2-aminopyrimidine-<i>N</i>^1^)copper(II)]","Acta Crystallographica Section C","2001","57","2","158","159","10.1107/S0108270100017455","","","0.71073","MoKα","","0.1944","0.0661","","","","0.1485","","","","","","0.918","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011756","17.7211","0.0008","16.005","0.0007","18.5655","0.0009","90","","94.904","0.001","90","","5246.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 B F20 Ga2 N4 O -","- C52 H45 B F20 Ga2 N4 O -","- C208 H180 B4 F80 Ga8 N16 O4 -","4","1","FR1292","Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.","A cationic hydroxo-bridged dinuclear gallium complex","Acta Crystallographica Section C","2001","57","2","143","144","10.1107/S0108270100013962","","","0.71073","MoKα","","0.082","0.038","","","","0.0542","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011757","7.492","0.003","28.929","0.007","10.334","0.005","90","","90","","90","","2239.8","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","μ-[1,3-bis(5-chlorosalicylideneamino)propanol]-O,N,O':O',N',O''-μ-(3,5- dimethylpyrazolato)-N:N'-dinickel(II)","","- C22 H20 Cl2 N4 Ni2 O3 -","- C22 H20 Cl2 N4 Ni2 O3 -","- C88 H80 Cl8 N16 Ni8 O12 -","4","0.5","FR1306","Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Chipindale, Ann","A dinuclear pyrazolato-<i>N</i>:<i>N</i>'-bridged dinickel(II) complex of 1,3-bis(5-chlorosalicylideneamino)propan-2-ol","Acta Crystallographica Section C","2001","57","2","149","150","10.1107/S0108270100015808","","","1.5418","CuKα","","0.154","0.043","","","","0.155","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011758","10.328","0.002","11.605","0.002","14.796","0.003","70","0.03","86.37","0.03","76.19","0.03","1617.9","0.7","105","2","105","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H36 N6 O8 -","- C33 H36 N6 O8 -","- C66 H72 N12 O16 -","2","2","GD1118","Ejsmont, Krzysztof; Makowski, Maciej; Zaleski, Jacek","<i>N</i>-(<i>tert</i>-Butoxycarbonylglycyl-α,β-dehydrophenylalanylglycylphenylalanyl)-4-nitroaniline","Acta Crystallographica Section C","2001","57","2","205","207","10.1107/S0108270100017753","","","0.71073","MoKα","","0.0375","0.0319","","","","0.1053","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011759","30.594","0.006","10.285","0.002","7.474","0.001","90","","91.07","0.03","90","","2351.4","0.7","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-[β-D-(tri-O-acetyl)xylopyranosyl)amino-7-carbomethoxy-6-methyl- 5-methyoxy-1H-pyrrolo[3,4-c]pyridin-1,3(2H)-dione","","- C22 H25 N3 O12 -","- C22 H25 N3 O12 -","- C88 H100 N12 O48 -","4","1","GD1119","Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Lο'pez, M. Dolores; Light, Mark E.","A unique axially triacetylated xylopyranose structure, methyl 6-methoxy-2-methyl-1,3-dioxo-4-[(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino]-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate","Acta Crystallographica Section C","2001","57","2","222","224","10.1107/S0108270100018163","","","0.71073","MoKα","","0.1426","0.0819","","","","0.226","","","","","","0.999","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011760","11.1419","0.0012","20.2089","0.0014","8.7321","0.0009","90","","110.644","0.004","90","","1839.9","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N'-Trimethylethylenediammonium Chloride","","- C10 H32 Cl4 N4 -","- C10 H32 Cl4 N4 -","- C40 H128 Cl16 N16 -","4","1","GD1121","Errington, William; Somasunderam, Usha; Willey, Gerald R.","<i>N</i>,<i>N</i>,<i>N</i>'-Trimethylethylenediammonium dichloride","Acta Crystallographica Section C","2001","57","2","190","191","10.1107/S0108270100016176","","","0.71073","MoKα","","0.1244","0.0508","","","","0.0962","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011761","12.106","0.003","13.187","0.003","15.819","0.004","90","","99.62","0.02","90","","2489.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-1,2-Diaza-3-phenylprop-2-enyl-tri(cyclohexyl)phosphonium chloride","","- C25 H40 Cl N2 P -","- C25 H40 Cl N2 P -","- C100 H160 Cl4 N8 P4 -","4","1","GD1122","Batsanov, Andrei S.; Howard, Judith A. K.; Snowden, David G.","[(2<i>E</i>)-2-Benzylidenehydrazino]tricyclohexylphosphonium chloride","Acta Crystallographica Section C","2001","57","2","195","196","10.1107/S0108270100016590","","","0.71073","MoKα","","0.0464","0.034","","","","0.0874","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011762","5.3288","0.0003","6.3696","0.0006","18.1263","0.0009","90","","95.811","0.004","90","","612.09","0.07","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-leucine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C18 H36 N4 O8 -","2","1","GG1024","Słowikowska, Joanna; Lipkowski, Janusz","<small>L</small>-Seryl-<small>L</small>-leucine","Acta Crystallographica Section C","2001","57","2","187","189","10.1107/S0108270100016164","","","1.54178","CuKα","","","0.029","","","","0.077","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011763","9.435","0.001","10.562","0.001","14.698","0.001","97.76","0.01","102.39","0.01","105.37","0.01","1350.5","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H27 B F6 Fe N4 O0.5 P -","- C27 H27 B F6 Fe N4 O0.5 P -","- C54 H54 B2 F12 Fe2 N8 O P2 -","2","1","GG1027","Ding, Li; Wagner, Matthias; Bolte, Michael","Pseudopolymorphism of [2,5-bis(2-pyridyl)pyrazine]ferrocenyl(methyl)boron hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","162","164","10.1107/S0108270100017741","","","0.71073","MoKα","","0.128","0.08","","","","0.203","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011764","8.011","0.001","16.63","0.001","20.384","0.001","98.55","0.01","99.47","0.01","92.03","0.01","2643.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23.5 B F6 Fe N4.5 P -","- C26 H23.5 B F6 Fe N4.5 P -","- C104 H94 B4 F24 Fe4 N18 P4 -","4","2","GG1027","Ding, Li; Wagner, Matthias; Bolte, Michael","Pseudopolymorphism of [2,5-bis(2-pyridyl)pyrazine]ferrocenyl(methyl)boron hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","162","164","10.1107/S0108270100017741","","","0.71073","MoKα","","0.153","0.076","","","","0.138","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011765","29.207","0.002","6.586","0.0004","7.4782","0.0004","90","","90","","90","","1438.49","0.15","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","","- C15 H21 N5 O2 -","- C15 H21 N5 O2 -","- C60 H84 N20 O8 -","4","0.5","GG1029","Low, John Nicolson; Marchal, Antonio; Nogueras, Manuel; Melguizo, Manuel; Sánchez, Adolfo","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","Acta Crystallographica Section C","2001","57","2","178","179","10.1107/S0108270100015754","","","0.71073","MoKα","","0.146","0.06","","","","0.181","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011766","10.16","0.0005","18.4257","0.001","22.643","0.0013","90","","109.808","0.005","90","","3988.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis[N^1^,N^2^-bis(trimethylsilyl)benzamidinato-κ^2^N^1^N^2^]-chloro- (4-tolylimido-κN)-vanadium(V)","","- C33 H53 Cl N5 Si4 V -","- C33 H53 Cl N5 Si4 V -","- C132 H212 Cl4 N20 Si16 V4 -","4","1","GG1031","Ellis, Dianne D.; Spek, Anthony L.","<i>cis</i>-Bis[<i>N</i>^1^,<i>N</i>^2^-bis(trimethylsilyl)benzamidinato-κ^2^<i>N</i>^1^,<i>N</i>^2^]chloro(4-tolylimido-κ<i>N</i>)vanadium(V)","Acta Crystallographica Section C","2001","57","2","147","148","10.1107/S010827010001564X","","","0.71073","MoKα","","0.102","0.052","","","","0.108","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011767","5.7537","0.0004","5.7537","0.0004","48.108","0.004","90","","90","","120","","1379.25","0.18","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- Al Br0.478 Ca2 Cl0.522 H10 O8 -","- Al Br0.478 Ca2 Cl0.522 H10.0002 O8 -","- Al6 Br2.868 Ca12 Cl3.132 H60.0012 O48 -","6","0.166667","IZ1005","Rapin, Jean-Philippe; François, Michel","The double-layered hydroxide 3CaO·Al~2~O~3~·0.5CaBr~2~·0.5CaCl~2~·10H~2~O","Acta Crystallographica Section C","2001","57","2","137","138","10.1107/S0108270100014025","","","0.71073","MoKα","","0.0585","0.0381","","","","0.0901","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011768","6.6296","0.0001","16.3605","0.0002","14.6386","0.0002","90","","99.938","0.001","90","","1563.93","0.04","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trans-bis(aminopyridine)-bis(O,O'-diisopropyl dithiophosphato-S,S')nickel(II)","","- C22 H40 N4 Ni O4 P2 S4 -","- C22 H40 N4 Ni O4 P2 S4 -","- C44 H80 N8 Ni2 O8 P4 S8 -","2","0.5","LN1110","Hao, Qingli; Jian, Fangfang; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>trans</i>-Bis(2-aminopyridine-<i>N</i>)bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","2001","57","2","160","161","10.1107/S0108270100016073","","","0.71073","MoKα","","0.041","0.035","","","","0.087","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011769","12.346","0.002","5.567","0.001","22.578","0.006","90","","95.2","0.01","90","","1545.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-(1,2-phenylene)bis(pyridine-2-carboxamide)","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","NA1486","Lin, Jun; Zhang, Jun-Yong; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","<i>N</i>,<i>N</i>'-(1,2-phenylene)bis(pyridine-2-carboxamide) and <i>N</i>,<i>N</i>'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate","Acta Crystallographica Section C","2001","57","2","192","194","10.1107/S0108270100016395","","","0.71073","MoKα","","0.104","0.053","","","","0.139","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011770","9.899","0.002","10.492","0.002","10.795","0.002","88.52","0.03","64.39","0.03","89.7","0.03","1010.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide)","","- C21.5 H24 N4 O2 -","- C21.5 H20 N4 O2 -","- C43 H40 N8 O4 -","2","1","NA1486","Lin, Jun; Zhang, Jun-Yong; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","<i>N</i>,<i>N</i>'-(1,2-phenylene)bis(pyridine-2-carboxamide) and <i>N</i>,<i>N</i>'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate","Acta Crystallographica Section C","2001","57","2","192","194","10.1107/S0108270100016395","","","0.71073","MoKα","","0.072","0.049","","","","0.173","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011771","8.447","0.0006","12.91","0.0012","12.985","0.0013","90","","105.27","0.006","90","","1366","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","","- C30 H28 Cl2 Fe N6 -","- C30 H28 Cl2 Fe N6 -","- C60 H56 Cl4 Fe2 N12 -","2","1","NA1490","Batten, Stuart R.; McKenzie, Christine J.; Preuss Nielsen, Lars","Dichloro[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Acta Crystallographica Section C","2001","57","2","156","157","10.1107/S010827010001684X","","","0.71073","MoKα","","0.1323","0.0796","","","","0.1558","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011772","17.4297","0.0008","17.4297","0.0008","4.1754","0.0003","90","","90","","90","","1268.46","0.12","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","","- C8 H16 Hg Mn N12 S8 -","- C8 H16 Hg Mn N12 S8 -","- C16 H32 Hg2 Mn2 N24 S16 -","2","0.25","SK1404","Yu, Wen Tao; Wang, Xin Qiang; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","Acta Crystallographica Section C","2001","57","2","145","146","10.1107/S0108270100015651","","","0.71073","MoKα","","0.035","0.033","","","","0.08","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011773","4.5541","0.0002","16.314","0.0008","17.5245","0.0009","90","","96.234","0.002","90","","1294.29","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[1H-Benzimidazolium]-Benzene Carbonic Acid dihydrate solvate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","SK1423","Jian, Fangfang; Bei, Fengli; Yang, Xujie; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","4-(1<i>H</i>-Benzimidazol-3-ium-2-yl)benzoate dihydrate","Acta Crystallographica Section C","2001","57","2","176","177","10.1107/S0108270100015675","","","0.71073","MoKα","","0.06","0.045","","","","0.111","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011774","7.3772","0.0014","20.063","0.003","10.4576","0.0012","90","","90.513","0.012","90","","1547.8","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl (1R,8R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undecan-3,5- dien-4,5-dicarboxylate","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C64 H88 N8 O16 -","4","2","SK1429","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Dimethyl (1<i>R</i>,8<i>R</i>)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undeca-3,5-diene-4,5-dicarboxylate, a chiral molecule with an approximate centrosymmetric crystal structure","Acta Crystallographica Section C","2001","57","2","208","210","10.1107/S0108270100017960","","","0.71073","MoKα","","0.0393","0.0359","","","","0.0959","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011775","7.8329","0.0015","7.99","0.002","12.369","0.003","79.766","0.017","81.257","0.019","69.646","0.008","710.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: three triclinic examples with <i>Z</i>' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.244","0.071","","","","0.174","","","","","","0.833","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011776","7.1422","0.0014","7.4564","0.0015","17.044","0.003","81.43","0.03","89.27","0.03","61.84","0.03","789.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dimethyl-2-nitroaniline","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","2","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: three triclinic examples with <i>Z</i>' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.115","0.057","","","","0.159","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011777","7.3814","0.0002","8.2085","0.0003","23.5355","0.0009","87.931","0.0013","89.888","0.0012","88.371","0.002","1424.51","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","4","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: three triclinic examples with <i>Z</i>' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.14","0.063","","","","0.191","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011778","11.7729","0.0007","5.5841","0.0004","24.549","0.003","90","","97.52","0.007","90","","1600","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","betaine-betainium hydrogen oxalate","N,N,N-trimethylglycine-N,N,N-trimethylglycinium-hydrogenoxalate","","- C12 H24 N2 O8 -","- C12 H24 N2 O8 -","- C48 H96 N8 O32 -","4","1","SK1441","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Betaine betainium hydrogen oxalate","Acta Crystallographica Section C","2001","57","2","213","215","10.1107/S0108270100019193","","","0.71073","MoKα","","0.1157","0.0435","","","","0.1368","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011779","5.0038","0.0015","6.442","0.002","8.3179","0.0011","78.6","0.02","80.62","0.02","79.8","0.02","256.39","0.12","293","2","293","2","","","","","","","","4","P 1","P 1","1","sarcosinium tartrate","sarcosinium tartrate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C7 H13 N O8 -","1","1","VJ1116","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Sarcosinium tartrate","Acta Crystallographica Section C","2001","57","2","165","166","10.1107/S0108270100012440","","","0.71073","Mokα","","0.025","0.025","","","","0.066","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011780","16.996","0.002","8.1356","0.0011","20.66","0.003","90","","90","","90","","2856.7","0.7","298","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","6,7-dicyano-2,3-di(2-pyridyl) pyrazine","","- C16 H8 N6 -","- C16 H8 N6 -","- C128 H64 N48 -","8","2","VJ1118","Du, Miao; Bu, Xian-He; Liu, He; Leng, Xue-Bing","5,6-Bis(2-pyridyl)-2,3-pyrazinedicarbonitrile","Acta Crystallographica Section C","2001","57","2","201","202","10.1107/S0108270100017625","","","0.71073","MoKα","","","0.0367","","","","0.1013","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011781","7.6207","0.0004","9.5869","0.0005","10.6829","0.0005","71.115","0.003","84.066","0.003","67.921","0.002","684.16","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","acridine-trichlorogold(III)","(acridine-N)trichlorogold(III)","","- C13 H9 Au Cl3 N -","- C13 H9 Au Cl3 N -","- C26 H18 Au2 Cl6 N2 -","2","1","AV1055","Sloufova, Ivana; Slouf, Miroslav","(Acridine-<i>N</i>)trichlorogold(III)","Acta Crystallographica Section C","2001","57","3","248","249","10.1107/S0108270100018151","","","0.71073","MoKα","","0.028","0.025","","","","0.059","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011782","10.2144","0.0007","18.018","0.001","13.1304","0.0009","90","","90.177","0.001","90","","2416.5","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H86 N O5 P Sn3 -","- C39 H86 N O5 P Sn3 -","- C78 H172 N2 O10 P2 Sn6 -","2","1","AV1061","Khoo, Lian Ee; Hazell, Alan","Polymeric [μ~3~-(<i>N</i>-phosphonomethyl)glycinato]tris(tri-<i>n</i>-butyltin)","Acta Crystallographica Section C","2001","57","3","254","256","10.1107/S0108270100018898","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011783","8.141","0.002","13.7976","0.0016","21.852","0.002","90","","90","","90","","2454.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br2 O5 -","- C26 H26 Br2 O5 -","- C104 H104 Br8 O20 -","4","1","BJ1007","Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Jin-Gyu; Suh, Il-Hwan","6,7-Bis(bromomethyl)-2,11,18,21,24-pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonacosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene","Acta Crystallographica Section C","2001","57","3","293","294","10.1107/S0108270100018473","","","0.71073","MoKα","","0.1832","0.0641","","","","0.1232","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011784","10.4971","0.0001","15.5281","0.0002","16.393","0.0002","90","","101.51","0.01","90","","2618.32","0.11","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[Ethylene-1,2-bis(diphenylphosphine)-P,P']dinitratoplatinum(II)","","- C26 H24 N2 O6 P2 Pt -","- C26 H24 N2 O6 P2 Pt -","- C104 H96 N8 O24 P8 Pt4 -","4","1","BK1556","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","[Ethylene-1,2-bis(diphenylphosphine)-<i>P</i>,<i>P</i>']dinitratoplatinum(II) and <i>cis</i>-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-<i>O</i>,<i>P</i>]platinum(II) dinitrate dihydrate","Acta Crystallographica Section C","2001","57","3","237","239","10.1107/S0108270100017273","","","0.71073","MoKα","","0.058","0.039","","","","0.069","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011785","12.9843","0.0002","16.3998","0.0002","22.6979","0.0003","90","","92.81","0.01","90","","4827.48","0.12","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-[Bis(diphenylphosphinomethyl)diphenylphosphine oxide-O,P]platinum(II) dinitrate dihydrate","","- C50 H48 N2 O10 P4 Pt -","- C50 H48 N2 O10 P4 Pt -","- C200 H192 N8 O40 P16 Pt4 -","4","1","BK1556","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","[Ethylene-1,2-bis(diphenylphosphine)-<i>P</i>,<i>P</i>']dinitratoplatinum(II) and <i>cis</i>-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-<i>O</i>,<i>P</i>]platinum(II) dinitrate dihydrate","Acta Crystallographica Section C","2001","57","3","237","239","10.1107/S0108270100017273","","","0.71073","MoKα","","0.049","0.031","","","","0.069","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011786","9.2351","0.0007","11.607","0.001","13.807","0.001","77.891","0.001","81.46","0.01","69.14","0.01","1347.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis(tetraphenylphosphonium) dioxobis(pyridine-2,6-dicarbothioate-O,N,O')uranium(VI)","","- C62 H46 N2 O6 P2 S4 U -","- C62 H46 N2 O6 P2 S4 U -","- C62 H46 N2 O6 P2 S4 U -","1","0.5","BK1565","Neu, Mary P.; Johnson, Mitchell T.; Matonic, John H.; Scott, Brian L.","Actinide interactions with microbial chelators: the dioxobis[pyridine-2,6-bis(monothiocarboxylato)]uranium(VI) ion","Acta Crystallographica Section C","2001","57","3","240","242","10.1107/S0108270100017285","","","0.71073","MoKα","","0.032","0.03","","","","0.073","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011787","11.7469","0.0001","18.2581","0.0002","14.5558","0.0001","90","","101.352","0.001","90","","3060.8","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 B9 Br Mn N O3 -","- C19 H44.29 B9 Br Mn N O3 -","- C76 H177.16 B36 Br4 Mn4 N4 O12 -","4","1","BK1569","Kennedy, Alan R.; Morris, John H.","A <i>nido</i>-6-manganadecaborane salt","Acta Crystallographica Section C","2001","57","3","269","270","10.1107/S0108270100019843","","","0.71073","MoKα","","0.0742","0.0488","","","","0.1431","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011788","11.0346","0.0005","8.8957","0.0004","11.4161","0.0005","90","","103.946","0.001","90","","1087.58","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(ethanolamine)bis(saccharinato)copper(II)","","- C18 H22 Cu N4 O8 S2 -","- C18 H22 Cu N4 O8 S2 -","- C36 H44 Cu2 N8 O16 S4 -","2","0.5","BM1435","Yilmaz, Veysel T.; Andac, Omer; Topcu, Yildiray; Harrison, William T. A.","<i>trans</i>-Bis(ethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)copper(II)","Acta Crystallographica Section C","2001","57","3","271","272","10.1107/S0108270100019867","","","0.71073","MoKα","","0.043","0.033","","","","0.099","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011789","7.4692","0.0005","8.7343","0.0007","8.909","0.0007","68.104","0.004","77.038","0.004","67.31","0.004","495.34","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-4-(dibromomethyl)methoxybenzene","","- C9 H10 Br2 O -","- C9 H10 Br2 O -","- C18 H20 Br4 O2 -","2","1","BM1445","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","1-(Dibromomethyl)-4-methoxy-2-methylbenzene","Acta Crystallographica Section C","2001","57","3","317","318","10.1107/S0108270100019375","","","0.71073","MoKα","","0.0676","0.0452","","","","0.109","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011790","26.12","0.005","18.473","0.004","10.379","0.003","90","","90","","90","","5008","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C.I. Solvent Yellow 4","4-(phenyldiazenyl)naphthalen-1-amine","","- C16 H13 N3 -","- C16 H13 N3 -","- C256 H208 N48 -","16","2","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","0.71073","MoKα","","0.105","0.053","","","","0.118","","","","","","1.282","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011791","7.426","0.003","13.305","0.004","14.027","0.004","90","","95.32","0.02","90","","1379.9","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[4-(phenyldiazenyl)naphthalen-1-yl]ammonium chloride","","- C16 H14 Cl N3 -","- C16 H14 Cl N3 -","- C64 H56 Cl4 N12 -","4","1","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","1.5418","CuKα","","","","","","","","","","1.6","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011792","23.534","0.0005","23.534","0.0005","23.534","0.0005","90","","90","","90","","13034.3","0.5","293","1","293","1","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Ti -","- O7 P2 Ti -","- O756 P216 Ti108 -","108","4.5","BR1307","Norberg, Stefan T.; Svennson, Göran; Albertsson, Jörgen","A TiP~2~O~7~ superstructure","Acta Crystallographica Section C","2001","57","3","225","227","10.1107/S0108270100018709","","","0.8522","synchrotronx-rayverticalwiggler","","0.048","0.046","","0.059","","0.059","","","2.779","","","2.872","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011793","5.164","0.0006","5.4013","0.0007","9.2982","0.0011","90","","96.596","0.002","90","","257.63","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium tin hydroxide","Dilithium tin(VI) hexahydroxide","","- H6 Li2 O6 Sn -","- H6 Li2 O6 Sn -","- H12 Li4 O12 Sn2 -","2","0.5","BR1309","Yang, Shoufeng; Zavalij, Peter Y.; Whittingham, M. Stanley","Li~2~Sn(OH)~6~","Acta Crystallographica Section C","2001","57","3","228","229","10.1107/S0108270100018710","","","0.71073","MoKα","","0.019","0.017","","","","0.041","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011794","6.337","0.001","8.028","0.001","12.169","0.002","80.53","0.01","84.12","0.01","85.4","0.01","606.16","0.16","183","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H23 N O4 -","- C10 H23 N O4 -","- C20 H46 N2 O8 -","2","1","DE1162","Wiebcke, Michael; Felsche, Jürgen","Benzyltrimethylammonium hydroxide trihydrate containing hydroxide‒water layers","Acta Crystallographica Section C","2001","57","3","306","308","10.1107/S0108270100019363","","","0.71073","MoKα","","","0.0553","","","","0.1613","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011795","7.334","0.004","10.791","0.006","11.543","0.007","69.7","0.02","75.01","0.02","86.653","0.015","827.1","0.8","156","","156","2","","","","","","","","4","P -1","-P 1","2","","3,3'-(1,2-Ethynediyl)bis-2(1H)-pyridinone (I) and 6,6'-(1,2-Ethynediyl)bis-2(1H)-pyridinone","","- C12.66667 H10.66667 N2 O2.66667 -","- C12.6667 H10.6667 N2 O2.66667 -","- C38 H32 N6 O8 -","3","1.5","FR1297","Maverick, Emily F.; Wash, Paul L.; Lightner, David A.","A hydrogen-bonded `trimer' of two symmetric dipyridones","Acta Crystallographica Section C","2001","57","3","284","285","10.1107/S0108270100015523","","","0.7107","MoKα","","0.134","0.051","","","","0.176","","","","","","1.079","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2011796","14.178","0.003","6.3433","0.0006","19.227","0.003","90","","101.538","0.015","90","","1694.2","0.5","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 S5 -","- C17 H12 S5 -","- C68 H48 S20 -","4","1","FR1309","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5-Benzyl-5-phenyl[1,3]dithiolo[4,5-<i>d</i>][1,3]dithiole-2-thione","Acta Crystallographica Section C","2001","57","3","319","320","10.1107/S0108270100019764","","","1.5418","CuKα","","","0.047","","","","0.054","","","","","","0.95","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011797","6.2645","0.0007","5.444","0.0012","26.17","0.003","90","","91.339","0.011","90","","892.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-tetralone-3-carboxylic acid","(±)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FR1312","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.; Miller, Allan J.","(±)-1-Tetralone-3-carboxylic acid and (±)-1-tetralone-2-acetic acid: hydrogen bonding in two γ-keto acids","Acta Crystallographica Section C","2001","57","3","325","328","10.1107/S0108270100020783","","","0.71073","MoKα","","0.076","0.045","","","","0.106","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011798","8.0008","0.001","10.579","0.002","12.6789","0.0013","90","","105.616","0.008","90","","1033.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(±)-1-tetralone-2-acetic acid","(±)-1-oxo-1,2,3,4-tetrahydronaphthalene-2-acetic acid","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","FR1312","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.; Miller, Allan J.","(±)-1-Tetralone-3-carboxylic acid and (±)-1-tetralone-2-acetic acid: hydrogen bonding in two γ-keto acids","Acta Crystallographica Section C","2001","57","3","325","328","10.1107/S0108270100020783","","","0.71073","MoKα","","0.069","0.043","","","","0.109","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011799","16.807","0.002","9.3006","0.0016","13.7677","0.001","90","","106.682","0.01","90","","2061.5","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","doxylamine tetrachlorocuprate(II)","{2-[1-dimethylammonioethoxy)-1-phenylethyl]pyridinium} tetrachlorocuprate(II)","","- C17 H24 Cl4 Cu N2 O -","- C17 H24 Cl4 Cu N2 O -","- C68 H96 Cl16 Cu4 N8 O4 -","4","1","FR1314","Braitenbach, Kristin; Parvez, Masood","Doxylaminium tetrachlorocuprate(II)","Acta Crystallographica Section C","2001","57","3","262","263","10.1107/S010827010001917X","","","0.71069","MoKα","","0.117","0.044","","","","0.128","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011800","10.755","0.0005","13.523","0.0003","26.764","0.001","90","","87.356","0.002","90","","3888.4","0.2","190","","190","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","(4'-Chloro-2,2':6',2''-terpyridine-N,N',N'')(diethylphopshinothioato-S)platinu m(II) tetraphenylborate","","- C43 H40 B Cl N3 O3 P Pt S -","- C43 H40 B Cl N3 O3 P Pt S -","- C172 H160 B4 Cl4 N12 O12 P4 Pt4 S4 -","4","1","GD1116","Ross, Steven A.; Lowe, Gordon; Watkin, David J.","(4'-Chloro-2,2':6',2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')(diethylphosphinothioato-<i>S</i>)platinum(II) tetraphenylborate","Acta Crystallographica Section C","2001","57","3","275","276","10.1107/S0108270100020023","","","0.71069","MoKα","","","0.03","","","","0.037","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011801","5.886","0.002","8.402","0.003","8.923","0.003","116.8","0.03","104.04","0.03","92.53","0.03","376.1","0.3","293","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","GD1117","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Nitroindoline","Acta Crystallographica Section C","2001","57","3","304","305","10.1107/S0108270100019144","","","0.71073","MoKα","","0.0487","0.0368","","","","0.1098","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011802","13.0265","0.0007","7.0672","0.0003","6.3376","0.0002","90","","96.432","0.004","90","","579.77","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-2,3-O-(S)-benzylidene-β-D-mannopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.029","0.029","","0.032","","0.032","","","1.001","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011803","11.9752","0.0005","5.7487","0.0002","18.0759","0.0014","90","","100.295","0.006","90","","1224.34","0.12","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","1,6-anhydro-4-O-benzyl-β-D-mannopyranose","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.032","0.032","","0.04","","0.04","","","1.08","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011804","9.0956","0.0003","5.8461","0.0002","11.0603","0.0005","90","","102.871","0.004","90","","573.34","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-3,4-O-(S)-benzylidene-β-D-galactopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.034","0.034","","0.043","","0.043","","","1.046","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011805","20.8676","0.0017","7.0151","0.0007","9.1087","0.0008","90","","92.843","0.005","90","","1331.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-Dihydroxy-1,4-benzoquinone‒4,4'-bipyridine (1/1)","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","0.5","GD1125","Cowan, John A.; Howard, J. A. K.; Leech, M. A.","The 1:1 adduct of 2,5-dihydroxy-1,4-benzoquinone with 4,4'-bipyridine","Acta Crystallographica Section C","2001","57","3","302","303","10.1107/S0108270100019077","","","0.71073","MoKα","","0.049","0.041","","","","0.113","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011806","21.484","0.003","9.4624","0.0008","7.3293","0.0007","90","","90","","90","","1490","0.3","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Sodium hydrogenbis(phenoxyacetate)","","- C16 H15 Na O6 -","- C16 H15 Na O6 -","- C64 H60 Na4 O24 -","4","0.5","GD1129","Evans, James; Kapitan, Anoop; Rosair, Georgina; Roberts, Kevin J; White, Graeme","Sodium hydrogen bis(phenoxyacetate)","Acta Crystallographica Section C","2001","57","3","250","251","10.1107/S0108270100018175","","","0.71073","MoKα","","0.058","0.0389","","","","0.1088","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011807","11.8073","0.0013","10.0751","0.0012","21.453","0.003","90","","116.024","0.008","90","","2293.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 Pd -","- C26 H26 N4 Pd -","- C104 H104 N16 Pd4 -","4","1","GG1030","Ellis, Dianne D.; Spek, Anthony L.","[η^2^-(<i>E</i>)-But-2-enedinitrile](<i>N</i>,<i>N</i>'-diphenyl-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine-<i>N</i>,<i>N</i>')palladium(0)","Acta Crystallographica Section C","2001","57","3","235","236","10.1107/S0108270100016401","","","0.71073","MoKα","","0.051","0.042","","","","0.086","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011808","9.995","0.002","10.462","0.002","10.569","0.002","95.13","0.02","92.48","0.02","105.23","0.02","1059.5","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu F2 N2 O2 -","- C26 H18 Cu F2 N2 O2 -","- C52 H36 Cu2 F4 N4 O4 -","2","1","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.054","0.04","","","","0.115","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011809","10.752","0.001","7.893","0.001","27.391","0.003","90","","90","","90","","2324.6","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 Cu F2 N2 O2 -","- C28 H22 Cu F2 N2 O2 -","- C112 H88 Cu4 F8 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.069","0.043","","","","0.121","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011810","14.607","0.002","7.423","0.001","27.109","0.002","90","","98.07","0.01","90","","2910.3","0.6","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Cu F12 N2 O2 -","- C30 H16 Cu F12 N2 O2 -","- C120 H64 Cu4 F48 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.058","0.039","","","","0.096","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011811","14.768","0.001","10.663","0.001","8.32","0.001","90","","95.87","0.01","90","","1303.3","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cu F6 N2 O4 -","- C28 H18 Cu F6 N2 O4 -","- C56 H36 Cu2 F12 N4 O8 -","2","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.078","0.049","","","","0.14","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011812","27.392","0.003","10.048","0.002","9.654","0.001","90","","94.84","0.01","90","","2647.6","0.7","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F6 N2 O5 V -","- C28 H18 F6 N2 O5 V -","- C112 H72 F24 N8 O20 V4 -","4","1","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.061","0.042","","","","0.108","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011813","8.663","0.002","8.956","0.002","13.293","0.003","73.029","0.003","83.852","0.004","61.662","0.003","867.6","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","aqua[bis(salicylidene)ethylenediaminato-O,N,N',O']oxovanadium(V) nitrate","","- C16 H16 N3 O7 V -","- C16 H16 N3 O7 V -","- C32 H32 N6 O14 V2 -","2","1","GG1035","Hazell, Alan; Lund, Puk; Saugbjerg, Annemette","Two polymorphs of aqua[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneaminato-<i>N</i>,<i>O</i>)]oxovanadium(V) nitrate","Acta Crystallographica Section C","2001","57","3","257","259","10.1107/S0108270100019132","","","0.71073","MoKα","","","0.033","","","","0.042","","","","","","1.327","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011814","16.413","0.002","8.1634","0.0008","25.628","0.003","90","","96.619","0.002","90","","3410.9","0.7","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aqua[bis(salicylidene)ethylenediaminato-O,N,N',O']oxovanadium(V) nitrate","","- C16 H16 N3 O7 V -","- C16 H16 N3 O7 V -","- C128 H128 N24 O56 V8 -","8","1","GG1035","Hazell, Alan; Lund, Puk; Saugbjerg, Annemette","Two polymorphs of aqua[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneaminato-<i>N</i>,<i>O</i>)]oxovanadium(V) nitrate","Acta Crystallographica Section C","2001","57","3","257","259","10.1107/S0108270100019132","","","0.71073","MoKα","","","0.05","","","","0.047","","","","","","1.059","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011815","14.4773","0.0018","14.4773","0.0018","14.4773","0.0018","90","","90","","90","","3034.3","0.7","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Tris(tert-butyl)phosphine selenide","","- C12 H27 P Se -","- C12 H27 P Se -","- C96 H216 P8 Se8 -","8","0.333333","JZ1439","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(<i>tert</i>-butyl)phosphine selenide, the missing link in tris(<i>tert</i>-butyl)phosphine chalcogenide structures ^<i>t^</i>Bu~3~P=<i>X</i> (<i>X</i> = O, S, Se, Te)","Acta Crystallographica Section C","2001","57","3","323","324","10.1107/S010827010002000X","","","0.71073","MoKα","","0.023","0.018","","","","0.046","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011816","7.3003","0.0004","6.8114","0.0004","15.6135","0.0011","90","","90","","90","","776.39","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H4 Cu N2 O4 -","- C8 H4 Cu N2 O4 -","- C32 H16 Cu4 N8 O16 -","4","0.5","LN1113","Näther, Christian; Jeß, Inke","Poly[copper(II)-μ-pyrazine-μ~3~-squarato]","Acta Crystallographica Section C","2001","57","3","260","261","10.1107/S0108270100018722","","","0.71073","MoKα","","0.0397","0.0356","","","","0.099","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011817","11.794","0.002","20.179","0.004","17.843","0.004","90","","107.78","0.03","90","","4043.6","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","octakis(4-isopropylpyridine-N)-di-μ~4~-oxo-hexa-μ~3~-oxo-octa-μ~2~-oxo- decaoxooctamolybdenum(V)dimolybdenum(VI)","","- C64 H88 Mo10 N8 O26 -","- C64 H88 Mo10 N8 O26 -","- C128 H176 Mo20 N16 O52 -","2","0.5","NA1493","Modec, Barbara; Brenčič, Jurij V.; Giester, Gerald","A decanuclear oxomolybdenum(V,VI) cluster with 4-isopropylpyridine","Acta Crystallographica Section C","2001","57","3","246","247","10.1107/S0108270100017303","","","0.71073","MoKα","","0.058","0.041","","0.092","0.086","","","","1.069","1.121","1.121","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011818","10.56","0.1","32.98","0.15","11.64","0.08","90","","92.8","0.7","90","","4049","5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(tetrahydrofuran-κO)(meso-5,10,15,20-tetraisopropylporphyrinato-κ^4^N) iron(III)] perchlorate","","- C40 H52 Cl Fe N4 O6 -","- C40 H52 Cl Fe N4 O6 -","- C160 H208 Cl4 Fe4 N16 O24 -","4","1","OA1111","Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio","Bis(tetrahydrofuran-κ<i>O</i>)(<i>meso</i>-5,10,15,20-tetraisopropylporphyrinato-κ^4^<i>N</i>)iron(III) perchlorate","Acta Crystallographica Section C","2001","57","3","233","234","10.1107/S0108270100015833","","","0.71069","MoKα","","0.168","0.063","","","","0.215","","","","","","0.911","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011819","16.0884","0.0004","23.1083","0.0005","25.8233","0.0006","90","","104.09","0.001","90","","9311.6","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{K(18-crown-6-ether)(H~2~O)}~2~{K(18-crown-6-ether)(H~2~O)~2~}] [Rh~2~(O~2~CC~6~H~5~)~4~Fe(CN)~6~]8H~2~O (18-crown-6-ether = 1,4,7,10,13,16-hexaoxacyclooctadecane)","","- C70 H116 Fe K3 N6 O38 Rh2 -","- C70 H116 Fe K3 N6 O38 Rh2 -","- C280 H464 Fe4 K12 N24 O152 Rh8 -","4","1","OA1112","Kim, Youngmee; Kim, Sung-Jin; Nam, Wonwoo","A ferric-cyanide-bridged one-dimensional dirhodium complex with (18-crown-6)potassium cations","Acta Crystallographica Section C","2001","57","3","266","268","10.1107/S0108270100019776","","","0.71073","MoKα","","0.0959","0.0525","","","","0.1157","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011820","6.1387","0.0003","6.1387","0.0003","11.4071","0.0009","90","","90","","120","","372.27","0.04","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Yttrium manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0506","0.0372","","","","0.1065","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011821","6.1277","0.0005","6.1277","0.0005","11.411","0.001","90","","90","","120","","371.06","0.05","180","","180","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Ytrrium Manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0484","0.0372","","","","0.1085","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011822","8.026","0.002","12.359","0.003","14.056","0.003","90","","96.63","0.02","90","","1384.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O9 -","- C29 H29 N O9 -","- C58 H58 N2 O18 -","2","1","SK1434","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian","Methyl 2,3,6-tri-<i>O</i>-benzoyl-4-deoxy-4-methoxyamino-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2001","57","3","309","310","10.1107/S0108270100019387","","","0.7107","MoKα","","0.068","0.068","","0.04","","0.04","","","1.896","","","1.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011823","12.1752","0.0002","22.2029","0.0001","19.8479","0.0004","90","","117.168","0.001","90","","4773.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tripyridine","","- C49 H47 N11 O4 S2 -","- C49 H47 N11 O4 S2 -","- C196 H188 N44 O16 S8 -","4","1","SK1435","Chantrapromma, Suchada; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Karalai, Chatchanok; Zhang, Hao; Xie, Fu-Xin; Tian, Yu-Peng; Ma, Wen; Zhang, Yin-Han; Ni, Shi-Sheng","Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tris(pyridine) solvate","Acta Crystallographica Section C","2001","57","3","289","290","10.1107/S0108270100017972","","","0.71073","MoKα","","0.135","0.068","","","","0.166","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011824","13.8921","0.0009","15.339","0.0006","14.0209","0.0008","90","","95.666","0.002","90","","2973.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒ 1,3,5-benzenetricarboxylic acid‒methanol‒water (1/1/0.78/1.12)","","- C25.78 H47.36 N4 O7.9 -","- C25.784 H44.8 N4 O7.9 -","- C103.136 H179.2 N16 O31.6 -","4","1","SK1438","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid","Acta Crystallographica Section C","2001","57","3","311","314","10.1107/S0108270100019399","","","0.71073","MoKα","","0.138","0.077","","","","0.212","","","","","","0.986","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011825","8.8444","0.0003","9.7581","0.0002","11.922","0.0003","112.009","0.001","94.99","0.001","99.585","0.001","927.98","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(dicyclohexylammonium 3-thienylacetate)","","- C36 H58 N2 O4 S2 -","- C36 H58 N2 O4 S2 -","- C36 H58 N2 O4 S2 -","1","0.5","SK1439","Ng, Seik Weng; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Fun, Hoong-Kun","Bis(dicyclohexylammonium 3-thienylacetate)","Acta Crystallographica Section C","2001","57","3","291","292","10.1107/S0108270100019326","","","0.71073","MoKα","","0.0831","0.0602","","","","0.1622","","","","","","0.926","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011826","7.764","0.003","7.881","0.0015","13.047","0.0015","79.507","0.006","78.79","0.011","63.308","0.011","695.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Racemic cis-dichlorobis(pentane-2,4-dionato)titanium(IV)","","- C10 H14 Cl2 O4 Ti -","- C10 H14 Cl2 O4 Ti -","- C20 H28 Cl4 O8 Ti2 -","2","1","SK1440","Ferguson, George; Glidewell, Christopher; .","Enantiomeric disorder in racemic <i>cis</i>-dichlorobis(pentane-2,4-dionato)titanium(IV)","Acta Crystallographica Section C","2001","57","3","264","265","10.1107/S0108270100019181","","","0.71073","MoKα","","0.1571","0.0529","","","","0.1709","","","","","","0.942","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011827","7.6113","0.0005","11.6304","0.0007","8.2286","0.0005","90","","94.05","0.002","90","","726.6","0.08","150","2","150","2","","","","","","","","4","I 1 a 1","I -2ya","9","","2-Methyl-4-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","SK1442","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: the three-dimensional framework structure of 2-methyl-4-nitroaniline","Acta Crystallographica Section C","2001","57","3","315","316","10.1107/S0108270100019405","","","0.71073","MoKα","","0.056","0.043","","","","0.113","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011828","11.224","0.001","13.65","0.001","14.11","0.001","75.27","0.002","73.07","0.002","76.27","0.002","1968.7","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N6 -","- C23 H22 N6 -","- C92 H88 N24 -","4","2","SX1110","Moreno-Fuquen, Rodolfo; Abonia, Rodrigo; Valderrama-Naranjo, Jaime; Albornoz, Andrea; Mariezcurrena, Raul","5,12-Dimethyl-3,10-diphenyl-1,3,4,8,10,11-hexaazatetracyclo[6.6.1.0^2,6^.0^9,13^]pentadeca-2(6),4,9(13),11-tetraene, a new Tröger's base analogue","Acta Crystallographica Section C","2001","57","3","281","283","10.1107/S0108270100012531","","","0.71069","MoKα","","0.098","0.043","","","","0.141","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011829","9.9411","0.0016","18.0364","0.0014","7.3758","0.0018","90","","90","","90","","1322.5","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","maílione","","","- C14 H19 Br O2 -","- C14 H19 Br O2 -","- C56 H76 Br4 O8 -","4","1","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae <i>Laurencia scoparia</i>","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.115","0.044","","","","0.128","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011830","11.872","0.005","11.897","0.004","21.575","0.004","90","","90","","90","","3047.3","1.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","isorigidol","","","- C15 H23 Br O2 -","- C15 H23 Br O2 -","- C120 H184 Br8 O16 -","8","2","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae <i>Laurencia scoparia</i>","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.117","0.034","","","","0.094","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011831","10.4243","0.0014","20.3334","0.0018","8.3832","0.0011","90","","85.639","0.013","90","","1771.8","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N4 O8 Zn3 -","- C38 H38 N4 O8 Zn3 -","- C76 H76 N8 O16 Zn6 -","2","0.5","TA1298","Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Aksu, Mecit","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]zinc(II)}zinc(II)","Acta Crystallographica Section C","2001","57","3","273","274","10.1107/S0108270100019983","","","0.71073","MoKα","","","0.045","","","","0.056","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011833","6.6009","0.0011","10.9678","0.0017","20.278","0.005","90","","92.704","0.016","90","","1466.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[5,10,15,20-Tetrakis(2-thienyl)porphyrinato]zinc(II)","","- C36 H20 N4 S4 Zn -","- C36 H8 N4 S4.002 Zn -","- C72 H16 N8 S8.004 Zn2 -","2","0.5","VJ1107","Purushothaman, Bhavana; Varghese, Babu; Bhyrappa, Puttaiah","[5,10,15,20-Tetrakis(2-thienyl)porphyrinato]zinc(II)","Acta Crystallographica Section C","2001","57","3","252","253","10.1107/S0108270100018552","","","0.71073","MoKα","","0.055","0.04","","","","0.121","","","","","","1.151","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011834","11.3887","0.001","22.0576","0.0019","11.7301","0.001","90","","113.33","0.001","90","","2705.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tolyl-p-sulfonyl)-3-aza-1,5-bis(tolyl-p-sulfonyloxy)pentane","","- C25 H29 N O8 S3 -","- C25 H29 N O8 S3 -","- C100 H116 N4 O32 S12 -","4","1","VJ1127","Yoon, Il; Park, Ki-Min; Lee, Shim Sung","Tritosylate of diethanolamine","Acta Crystallographica Section C","2001","57","3","321","322","10.1107/S0108270100019788","","","0.71073","MoKα","","0.1019","0.0465","","","","0.1358","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011835","13.249","0.004","10.086","0.009","16.695","0.005","90","","101.99","0.02","90","","2182","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl3 N2 Ni O2 -","- C21 H21 Cl3 N2 Ni O2 -","- C84 H84 Cl12 N8 Ni4 O8 -","4","1","AV1056","de Castro, B.; Freire, C.; Duarte, M. Teresa; Minas da Piedade, M.F.; Santos, I.C.","<i>trans</i>-[<i>N</i>,<i>N</i>'-Bis(salicylidene)cyclohexane-1,2-diaminato]nickel(II)‒chloroform (1/1)","Acta Crystallographica Section C","2001","57","4","370","372","10.1107/S0108270100020849","","","0.71069","MoKα","","0.066","0.0501","","","","0.156","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011836","7.573","0.001","17.75","0.001","8.277","0.001","90","","93.53","0.01","90","","1110.5","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","AV1060","Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol","4-Methylcarbazole-3-carboxylic acid","Acta Crystallographica Section C","2001","57","4","414","416","10.1107/S0108270100020199","","","1.5418","CuKα","","","0.061","","","","0.071","","","","","","0.87","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011837","13.4239","0.0011","7.2198","0.0005","25.441","0.003","90","","90","","90","","2465.7","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Phenylfuro[3,2-c]chromen-4-one","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","AV1062","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","3-Phenyl-4<i>H</i>-furo[3,2-<i>c</i>]chromen-4-one","Acta Crystallographica Section C","2001","57","4","493","494","10.1107/S0108270101001433","","","0.71073","MoKα","","0.111","0.052","","","","0.123","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011838","9.3261","0.0003","32.34003","0.00014","7.5005","0.0003","90","","90.595","0.002","90","","2262.08","0.12","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-heptylammonium dihydrogenarsenate","","- C7 H20 As N O4 -","- C7 H20 As N O4 -","- C56 H160 As8 N8 O32 -","8","2","AV1066","Fábry, Jan; Krupková, Radmila; Císařová, Ivana","Ferroelastic <i>n</i>-heptylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","4","403","405","10.1107/S0108270100020850","","","0.71073","MoKα","","0.0916","0.0435","","0.0532","","0.0532","","","1.46","1.92","1.92","1.46","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011839","11.1331","0.0005","11.8704","0.0006","18.8044","0.0007","92.239","0.003","101.526","0.003","91.353","0.003","2431.86","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H108 Cl8 Gd2 N12 O10 U -","- C90 H98 Cl8 Gd2 N10 O10 U -","- C90 H98 Cl8 Gd2 N10 O10 U -","1","0.5","AV1069","Pons y Moll, Olivier; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel","An ion pair uniting a gadolinium(III)‒Schiff base complex and uranyl tetrachloride","Acta Crystallographica Section C","2001","57","4","392","393","10.1107/S0108270101001445","","","0.71073","MoKα","","0.055","0.038","","","","0.099","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011840","6.2806","0.0016","13.5616","0.0013","9.6165","0.001","90","","107.488","0.011","90","","781.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricine","N-[tris(hydroxymethyl)methyl]glycine or N-(2-hydroxy-1,1-bis[hydroxymethyl]ethyl)glycine","","- C6 H13 N O5 -","- C6 H13 N O5 -","- C24 H52 N4 O20 -","4","1","BJ1011","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","<i>N</i>-[Tris(hydroxymethyl)methyl]glycine (tricine)","Acta Crystallographica Section C","2001","57","4","421","422","10.1107/S0108270100020266","","","0.71073","MoKα","","0.039","0.03","","","","0.089","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011841","7.522","0.002","13.856","0.003","15.544","0.003","90","","94.75","0.03","90","","1614.5","0.6","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0327","0.0244","","","","0.0645","","","","","","1.097","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011842","7.426","0.002","13.836","0.003","15.403","0.003","90","","95.27","0.03","90","","1575.9","0.6","92","0.5","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0212","0.0192","","","","0.0477","","","","","","1.093","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011843","12.596","0.008","7.157","0.002","16.498","0.003","90","","95.53","0.03","90","","1480.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-(2,4,8,10-tetrathiaspiro[5.5]undecane-3,9-diylidene)bis(propanedinitrile)","","- C13 H8 N4 S4 -","- C13 H8 N4 S4 -","- C52 H32 N16 S16 -","4","0.5","BJ1015","Zhou, Zheng-Rong; Xu, Wei; Xia, Yi; Wang, Quan-Rui; Ding, Zong-Biao; Chen, Min-Qin; Hua, Zhong-Yi; Tao, Feng-Gang","3,9-Bis(dicyanomethylene)-2,4,8,10-tetrathiaspiro[5.5]undecane","Acta Crystallographica Section C","2001","57","4","471","472","10.1107/S0108270101000543","","","0.71073","MoKα","","0.103","0.057","","","","0.177","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011844","25.4244","0.0005","5.056","0.0001","18.9045","0.0004","90","","126.327","0.001","90","","1957.8","0.07","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[{(1,2-η)-benzene}silver(I)]-μ-trifluoromethanesulfonate-O;O';O'':O'']","","- C7 H6 Ag F3 O3 S -","- C7 H6 Ag F3 O3 S -","- C56 H48 Ag8 F24 O24 S8 -","8","1","BJ1018","Wadepohl, Hubert; Pritzkow, Hans","Poly[[[(1,2-η)-benzene]silver(I)]-μ-trifluoromethanesulfonate-<i>O</i>;<i>O</i>';<i>O</i>'':<i>O</i>'']","Acta Crystallographica Section C","2001","57","4","383","384","10.1107/S0108270101000610","","","0.71073","MoKα","","0.025","0.023","","","","0.06","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011845","9.8818","0.0017","27.375","0.006","9.811","0.0012","90","","90","","90","","2654","0.8","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(1-Acetoxyethylidene)fluorene","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BJ1021","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","9-(1-Acetoxyethylidene)fluorene (`diacetylfluorene'), a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","4","428","430","10.1107/S0108270100020539","","","0.71069","MoKα","","0.143","0.041","","","","0.115","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011846","9.319","0.0005","7.7083","0.0007","16.816","0.0014","90","","102.422","0.004","90","","1179.68","0.16","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","pteropodine","(1'S,3R,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8',10',10'a-octahydro-1'- methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4- f]indolizine]-4'-carboxylic acid methyl ester, chloroform solvate","","- C22 H25 Cl3 N2 O4 -","- C22 H25 Cl3 N2 O4 -","- C44 H50 Cl6 N4 O8 -","2","1","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from <i>Uncaria tomentosa</i>: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.095","0.059","","","","0.16","","","","","","0.98","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011847","10.9943","0.0008","21.062","0.003","12.3039","0.0015","90","","96.86","0.006","90","","2828.7","0.6","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","isopteropodine","(1'S,3S,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8', 10',10'a-octahydro -1'-methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4-f] indolizine]-4'-carboxylic acid methyl ester","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C126 H144 N12 O24 -","6","3","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from <i>Uncaria tomentosa</i>: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.123","0.052","","","","0.108","","","","","","0.894","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011848","8.22","0.003","9.365","0.003","17.89","0.003","90","","90","","90","","1377.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br F N2 O3 -","- C12 H14 Br F N2 O3 -","- C48 H56 Br4 F4 N8 O12 -","4","1","BK1579","Belin, Renaud; Tillard, Monique; Maurel, Jean-Louis; Ribet, Jean-Paul","Absolute configuration of (+)-(<i>S</i>)-2-(5-fluoro-2-methoxy-1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","2001","57","4","483","484","10.1107/S0108270101000981","","","0.71069","MoKα","","0.0881","0.0385","","","","0.096","","","","","","0.968","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011849","9.273","0.003","9.333","0.003","10.372","0.004","94.16","0.02","112.17","0.02","93.09","0.02","825.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Boc-Aib-Obzl","tert butyloxycarbonyl-α-aminoisobutyrate","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","BK1584","Leduc, Anne-Marie; Mashuta, Mark S.; Spatola, Arno F.","Benzyl <i>tert</i>-butoxycarbonyl-α-aminoisobutyrate","Acta Crystallographica Section C","2001","57","4","487","488","10.1107/S010827010100110X","","","0.71073","MoKα","","0.06","0.0481","","","","0.1159","","","","","","1.011","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011850","7.4252","0.0008","9.4231","0.0007","9.4957","0.0009","64.253","0.002","74.117","0.002","88.504","0.002","572.28","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl4 Cu4 N4 -","- C20 H16 Cl4 Cu4 N4 -","- C20 H16 Cl4 Cu4 N4 -","1","0.5","BM1430","Cui, Yong; Chen, Jiutong; Ren, Jing; Chen, Gang; Yu, Weichao; Qian, Yitai","Bis(2,2-bipyridine-<i>N</i>,<i>N</i>')tetra-μ-chloro-tetracopper(I)","Acta Crystallographica Section C","2001","57","4","349","351","10.1107/S0108270100019855","","","0.71073","MoKα","","0.0711","0.0551","","","","0.1621","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011851","9.764","0.003","11.006","0.002","19.78","0.003","97.56","0.02","102.29","0.02","101.73","0.02","1999.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3',4'-Di-(p-chlorophenyl)-spiroisoxazoline-[5'.3]-4-chromanone","","- C23 H15 Cl2 N O3 -","- C23 H15 Cl2 N O3 -","- C92 H60 Cl8 N4 O12 -","4","2","BM1437","Abdul Ajees, A.; Parthasarathy, S.; Manikandan, S.; Raghunathan, R.","3',4'-Bis(4-chlorophenyl)spiro[chroman-3,5'(4'<i>H</i>)-isoxazol]-4-one","Acta Crystallographica Section C","2001","57","4","473","475","10.1107/S0108270101000920","","","1.5418","CuKα","","0.1584","0.0479","","","","0.1394","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011852","4.869","0.003","7.53","0.005","9.15","0.005","83.037","0.01","88.727","0.015","79.806","0.01","327.7","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1,4,8,11-tetraazacyclotetradecane-2,9-dione dihydrate","","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","1","0.5","BM1440","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","<i>trans</i>-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex","Acta Crystallographica Section C","2001","57","4","359","362","10.1107/S0108270100020308","","","0.71073","MoKα","","0.066","0.046","","","","0.118","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011853","20.861","0.003","7.3385","0.001","9.613","0.0013","90","","112.205","0.002","90","","1362.5","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,4,8,11-tetraazacyclotetradecane-2,9-dione-κ^4^N)nickel(II) dihydrate","","- C10 H22 N4 Ni O4 -","- C10 H22 N4 Ni O4 -","- C40 H88 N16 Ni4 O16 -","4","0.5","BM1440","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","<i>trans</i>-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex","Acta Crystallographica Section C","2001","57","4","359","362","10.1107/S0108270100020308","","","0.71073","MoKα","","0.107","0.06","","","","0.153","","","","","","1.04","","","","has coordinates,has Fobs","206183","2020-10-21","18:00:00",""
"2011854","9.6413","0.0004","9.6413","0.0004","11.5935","0.0007","90","","90","","120","","933.29","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium cadmium platinum hexaoxide","","- Cd O6 Pt Sr3 -","- Cd O6 Pt Sr3 -","- Cd6 O36 Pt6 Sr18 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.032","0.03","","","","0.072","","","","","","1.086","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011855","9.6267","0.0007","9.6267","0.0007","11.2292","0.0011","90","","90","","120","","901.23","0.13","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium zinc platinum hexaoxide","","- O6 Pt Sr3 Zn -","- O6 Pt Sr3 Zn -","- O36 Pt6 Sr18 Zn6 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.036","0.029","","","","0.059","","","","","","0.981","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011856","16.703","0.003","3.634","0.001","20.248","0.003","90","","117.38","0.01","90","","1091.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(2-pyridylazo)-resorcinol","sodium 4-(2-pyridinylazo)-1,3-benzenediolate monohydrate","","- C11 H10 N3 Na O3 -","- C11 H10 N3 Na O3 -","- C44 H40 N12 Na4 O12 -","4","1","BR1310","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Sodium 4-(2-pyridinyldiazenyl)resorcinolate monohydrate and ammonium 2,4-dinitro-1-naphthalenolate from powder diffraction data","Acta Crystallographica Section C","2001","57","4","397","399","10.1107/S0108270101000014","","","1.5418","CuKα","","","","","","","","","","2.14","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2011857","3.924","0.001","20.314","0.004","13.336","0.003","90","","94.31","0.01","90","","1060","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acid Yellow 24","ammonium 2,4-dinitro-1-naphthalenolate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","BR1310","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Sodium 4-(2-pyridinyldiazenyl)resorcinolate monohydrate and ammonium 2,4-dinitro-1-naphthalenolate from powder diffraction data","Acta Crystallographica Section C","2001","57","4","397","399","10.1107/S0108270101000014","","","1.5418","CuKα","","","","","","","","","","2.01","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011858","3.878","0.001","3.878","","11.818","0.002","90","","90","","90","","177.73","0.05","297.2","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba2 Cu3 O6.26 Sm -","- Ba2 Cu3 O6.26 Sm -","- Ba2 Cu3 O6.26 Sm -","1","0.0625","BR1311","Sato, Shoichi; Kino, Yoshihiro; Shibata, Atsushi; Nakamura, Masaru; Krauns, Christian; Shiohara, Yuh","Tetragonal SmBa~2~Cu~3~O~7{-~<i>x</i>} [<i>x</i>~=~0.74(4)]","Acta Crystallographica Section C","2001","57","4","341","343","10.1107/S0108270100020242","","","0.7107","MoKα","","","0.019","","","","0.026","","","","","","1.594","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011859","5.733","0.001","11.602","0.002","16.038","0.003","90","","93.16","0.03","90","","1065.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-1-(4-aminophenyl)-2-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","DA1152","Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek","Two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2001","57","4","467","470","10.1107/S0108270101000518","","","0.71073","MoKα","","0.051","0.037","","","","0.101","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011860","8.764","0.002","6.103","0.001","10.791","0.002","90","","112.97","0.03","90","","531.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","trans-2-(4-aminophenyl)-1-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C24 H22 N6 O2 -","2","1","DA1152","Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek","Two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2001","57","4","467","470","10.1107/S0108270101000518","","","0.71073","MoKα","","0.064","0.031","","","","0.096","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011861","9.433","0.0012","25.266","0.003","27.258","0.004","90","","90","","90","","6496.5","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(tren)(DL-ile)](ClO~4~)~2~","trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ^4^N]cobalt(III) diperchlorate","","- C12 H30 Cl2 Co N5 O10 -","- C12 H30 Cl2 Co N5 O10 -","- C144 H360 Cl24 Co12 N60 O120 -","12","3","DA1160","Cai, Jiwen; Hu, Xiaopeng; Chen, Cai-Hong; Ji, Liang-Nian","<i>trans</i>-(<small>DL</small>-Isoleucinato-<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]cobalt(III) diperchlorate","Acta Crystallographica Section C","2001","57","4","394","396","10.1107/S0108270101001548","","","0.71073","MoKα","","0.062","0.046","","","","0.125","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011862","4.51","0.0004","14.462","0.001","13.231","0.001","90","","98.823","0.007","90","","852.76","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","0.083","0.056","","","","0.151","","","","","","1.1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011863","7.218","0.003","14.042","0.007","9.16","0.002","90","","110.64","0.02","90","","868.8","0.6","100","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.045","","","","0.113","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011864","6.948","0.003","11.4543","0.0006","15.305","0.0007","90","","90","","90","","1218","0.5","297","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane sodium iodide","","- C7 H14 I Na O6 -","- C7 H14 I Na O6 -","- C28 H56 I4 Na4 O24 -","4","0.5","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.021","","","","0.059","","","","","","1.091","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011865","8.043","0.003","5.459","0.003","15.74","0.004","90","","92.73","0.02","90","","690.3","0.5","292","","292","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O4 -","- C12 H10 Cl2 N4 O4 -","- C24 H20 Cl4 N8 O8 -","2","0.5","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.053","0.05","","0.079","","0.076","","","1.43","","","1.43","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011866","7.547","0.002","8.1565","0.0015","11.75","0.004","90","","101.1","0.03","90","","709.8","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O4 -","- C12 H10 Cl2 N4 O4 -","- C24 H20 Cl4 N8 O8 -","2","0.5","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.058","0.051","","0.079","","0.073","","","1.35","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011867","9.3895","0.0019","9.628","0.002","8.214","0.002","95.86","0.02","99.82","0.02","111.156","0.016","671.5","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl2 N3 O4 -","- C11 H9 Cl2 N3 O4 -","- C22 H18 Cl4 N6 O8 -","2","1","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.062","0.052","","0.069","","0.063","","","1.37","","","1.37","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011868","13.3463","0.0003","23.46","0.0001","14.5584","0.0003","90","","100.56","0.001","90","","4481.09","0.14","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","iodo(pyridine-N)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)rhodium(III) toluene solvate","","- C56 H41 I N5 Rh -","- C56 H41 I N5 Rh -","- C224 H164 I4 N20 Rh4 -","4","1","FG1606","Jameson, Geoffrey B.; Collman, James P.; Boulatov, Roman","Superimposed saddle and ruffled distortions of the porphyrin in iodo(pyridine-<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)rhodium(III) toluene solvate","Acta Crystallographica Section C","2001","57","4","406","408","10.1107/S0108270101001536","","","0.7107","MoKα","","0.134","0.07","","","","0.126","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011869","19.4661","0.0007","10.7312","0.0004","8.3","0.0003","90","","90","","90","","1733.83","0.11","123","1","123","1","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 1","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine","","- C20 H22 N2 S -","- C20 H22 N2 S -","- C80 H88 N8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0386","0.0335","","","","0.1219","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011870","18.9551","0.0011","11.4905","0.0007","8.1745","0.0004","90","","90","","90","","1780.44","0.17","123","1","123","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Compound 2","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine‒1,1 ‒dioxide","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0438","0.0337","","","","0.0928","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011871","8.6663","0.0009","9.671","0.003","15.47","0.004","90","","90","","90","","1296.6","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","FG1617","Ellis, Dianne D.; Spek, Anthony L.","(3<i>R</i>,4a<i>S</i>,5<i>R</i>)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3<i>H</i>)-naphthalenone","Acta Crystallographica Section C","2001","57","4","497","498","10.1107/S0108270101002049","","","0.71073","MoKα","","0.0491","0.0395","","","","0.1002","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011872","9.494","0.002","15.936","0.003","7.137","0.0014","90","","90","","90","","1079.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-N^3^,N^3^')copper(II)","","- C6 H6 Cl2 Cu N4 S2 -","- C6 H6 Cl2 Cu N4 S2 -","- C24 H24 Cl8 Cu4 N16 S8 -","4","0.5","FR1305","Liu, Jia-Geng; Nie, Jing-Jing; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-<i>N</i>^3^,<i>N</i>^3'^)copper(II)","Acta Crystallographica Section C","2001","57","4","354","355","10.1107/S0108270100020163","","","0.71073","MoKα","","0.027","0.023","","0.063","","0.061","","","1.13","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011873","16.785","0.003","10.211","0.002","14.054","0.003","90","","102.54","0.03","90","","2351.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl) ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate","","- C15 H24 Cl2 Cu N8 O8 -","- C15 H24 Cl2 Cu N8 O8 -","- C60 H96 Cl8 Cu4 N32 O32 -","4","1","FR1308","Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton J.; Joussef, Antônio C.","[2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl)ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate","Acta Crystallographica Section C","2001","57","4","356","358","10.1107/S0108270100020254","","","0.71073","MoKα","","0.115","0.043","","","","0.114","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011874","5.966","0.003","13.392","0.002","14.898","0.003","90","","93.01","0.02","90","","1188.7","0.7","303","2","303","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","FR1313","Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid","5-Chloro-<i>N</i>-(2-hydroxy-5-methylphenyl)salicylaldimine","Acta Crystallographica Section C","2001","57","4","485","486","10.1107/S0108270101000993","","","0.71073","MoKα","","0.042","0.037","","","","0.1063","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011875","10.601","0.002","8.673","0.002","15.322","0.005","90","","103.81","0.02","90","","1368","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","FR1318","Hernández-Ortega, Simón; Jiménez-Cruz, Federico; Ríos-Olivares, Héctor; Rubio-Arroyo, Manuel","4-Ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone","Acta Crystallographica Section C","2001","57","4","425","427","10.1107/S0108270100020461","","","0.71073","MoKα","","0.14","0.048","","","","0.128","","","","","","0.765","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011876","12.538","0.004","16.239","0.006","7.866","0.005","90","","90","","90","","1601.6","1.3","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","Pentacarbonyl(4-phenylpyridine)tungsten(0)","","- C16 H9 N O5 W -","- C16 H9 N O5 W -","- C64 H36 N4 O20 W4 -","4","0.25","GD1123","Creaven, Bernadette S.; Howie, R. Alan; .; Long, Conor; .","Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)","Acta Crystallographica Section C","2001","57","4","385","387","10.1107/S0108270101000622","","","0.71073","MoKα","","0.037","0.032","","","","0.072","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011877","6.223","0.004","13.635","0.012","18.17","0.009","90","","92.6","0.05","90","","1540.1","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(2-phenylpyridine)chromium(0)","","- C16 H9 Cr N O5 -","- C16 H9 Cr N O5 -","- C64 H36 Cr4 N4 O20 -","4","1","GD1123","Creaven, Bernadette S.; Howie, R. Alan; Long, Conor","Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)","Acta Crystallographica Section C","2001","57","4","385","387","10.1107/S0108270101000622","","","0.71073","MoKα","","0.203","0.087","","","","0.157","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011878","6.65","0.0012","12.261","0.003","16.058","0.003","90","","92.19","0.03","90","","1308.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-dicarbonyl-cis,cis-η^4^-1,5-cyclooctadienedirhodium(I)","","- C10 H12 Cl2 O2 Rh2 -","- C10 H12 Cl2 O2 Rh2 -","- C40 H48 Cl8 O8 Rh8 -","4","1","GD1124","Abou Rida, Maurice; Saikaili, Joseph; Smith, Anthony K.; Thozet, Alain","Dicarbonyldi-μ-chloro-<i>cis,cis</i>-η^4^-1,5-cyclooctadienedirhodium(I)","Acta Crystallographica Section C","2001","57","4","352","353","10.1107/S0108270100020035","","","0.71069","MoKα","","0.1182","0.0671","","","","0.196","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011879","7.017","0.001","7.307","0.001","18.091","0.001","94.673","0.003","92.059","0.003","106.633","0.003","884.11","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","sulfasalazine","2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]benzoic acid","","- C18 H14 N4 O5 S -","- C18 H14 N4 O5 S -","- C36 H28 N8 O10 S2 -","2","1","GD1126","Filip, Lorena A.; Caira, Mino R.; Fǎrcaş, Sorin I.; Bojiţǎ, Marius T.","Triclinic polymorph of sulfasalazine","Acta Crystallographica Section C","2001","57","4","435","436","10.1107/S0108270100020771","","","0.71073","MoKα","","0.0643","0.0428","","","","0.1134","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011880","6.318","0.003","15.867","0.01","7.571","0.004","90","","115.03","0.03","90","","687.7","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Ethynyl-1,2-methylenedioxybenzene","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","GD1130","Lawrence, Simon E.; Blake, Alexander J.; Maguire, Anita R.; Moynihan, Edmond J.A.","4-Ethynyl-1,2-methylenedioxybenzene at 150K","Acta Crystallographica Section C","2001","57","4","412","413","10.1107/S0108270100019909","","","0.71073","MoKα","","0.175","0.086","","","","0.163","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011881","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG9019","Mehmet Akkurt","Pseudokobusine. Erratum","Acta Crystallographica Section C","2001","57","4","500","500","10.1107/S0108270101003948","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011882","3.1546","0.0006","9.988","0.002","9.6769","0.0019","90","","90","","90","","304.9","0.1","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","Calcium dimanganese Oxide","Calcium dimanganese(III) Oxide","","- Ca Mn2 O4 -","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","4","0.5","IZ1001","Giesber, Henry G.; Pennington, William T.; Kolis, Joseph W.","Redetermination of CaMn~2~O~4~","Acta Crystallographica Section C","2001","57","4","329","330","10.1107/S0108270100011367","","","0.71073","MoKα","","0.0225","0.0224","","0.0515","","0.0515","","","1.332","","","1.332","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011883","10.4889","0.0008","8.1503","0.0009","7.244","0.0012","90","","90","","90","","619.27","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","barium oxo-aluminate hydride","","- Al Ba3 H O4 -","- Al Ba3 H O4 -","- Al4 Ba12 H4 O16 -","4","0.5","IZ1007","Zumdick, Markus; Althoff, Gerhard; Röhr, Caroline","Barium oxoaluminate hydride","Acta Crystallographica Section C","2001","57","4","339","340","10.1107/S0108270100020229","","","0.7107","MoKα","","0.0251","0.0225","","","","0.0543","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011884","9.9639","0.0006","9.9639","0.0006","9.3806","0.0009","90","","90","","90","","931.3","0.12","298","5","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Gismondine","","","- Ga5.76 H6.8 K5.76 O35.36 Si10.24 -","- Ga5.76 K5.76 O35.36 Si10.24 -","- Ga5.76 K5.76 O35.36 Si10.24 -","1","0.0625","IZ1009","Tripathi, Akhilesh; Parise, John; Kim, Sun Jin; Lee, Yongjae; Uh, Young Sun","K~5.76~Ga~5.76~Si~10.24~O~32~·3.4H~2~O, a gallosilicate with the zeolite gismondine topology","Acta Crystallographica Section C","2001","57","4","344","346","10.1107/S0108270100021090","","","0.643","Synchrotron","","0.0844","0.0671","","","","0.1558","","","","","","1.131","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2011885","8.8047","0.0002","8.8047","0.0002","5.4329","0.0002","90","","90","","90","","421.17","0.02","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","zinc cyanamide","zinc cyanamide","","- C N2 Zn -","- C N2 Zn -","- C8 N16 Zn8 -","8","0.5","IZ1010","Becker, Michael; Jansen, Martin","Zinc cyanamide, Zn(CN~2~)","Acta Crystallographica Section C","2001","57","4","347","348","10.1107/S0108270101000865","","","0.71073","MoKα","","0.0268","0.0233","","","","0.0534","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011886","8.6469","0.0005","17.8651","0.0008","28.7434","0.0015","90","","90","","90","","4440.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate","","- C22 H16 B Cu F4 N7 -","- C22 H16 B Cu F4 N7 -","- C176 H128 B8 Cu8 F32 N56 -","8","1","JZ1434","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar","Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","4","363","365","10.1107/S0108270100020503","","","0.71073","MoKα","","0.087","0.045","","","","0.141","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011887","9.0382","0.0007","19.2008","0.0013","11.9087","0.0008","90","","96.579","0.006","90","","2053","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-1-(4,5-dinitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone","","- C16 H17 N9 O9 -","- C16 H17 N9 O9 -","- C64 H68 N36 O36 -","4","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.055","0.042","","","","0.127","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011888","8.0664","0.0006","12.3698","0.001","13.228","0.0013","111.282","0.008","106.037","0.007","90.735","0.006","1172.55","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(Z)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone","","- C20 H25 N9 O8 -","- C20 H25 N9 O8 -","- C40 H50 N18 O16 -","2","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.045","0.036","","","","0.106","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011889","7.2885","0.0006","27.686","0.002","14.3642","0.0011","90","","101.707","0.008","90","","2838.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone tetrahydrofuran solvate","","- C24 H33 N9 O9 -","- C24 H33 N9 O9 -","- C96 H132 N36 O36 -","4","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.065","0.046","","","","0.154","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011890","12.3403","0.0008","18.3849","0.0017","8.5868","0.0006","90","","91.958","0.008","90","","1947","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O -","- C24 H18 N4 O -","- C96 H72 N16 O4 -","4","1","JZ1445","Ana Tesouro Vallina; Helen Stoeckli-Evans","Bis[4-(2-pyridylmethyleneamino)phenyl] ether","Acta Crystallographica Section C","2001","57","4","489","490","10.1107/S0108270101001111","","","0.71073","MoKα","","0.0462","0.0347","","","","0.0942","","","","","","1.015","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011891","11.749","0.001","12.296","0.001","14.591","0.001","90","","107.544","0.003","90","","2009.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate hydrate","","- C18 H24 Cl2 N2 O3 -","- C18 H24 Cl2 N2 O3 -","- C72 H96 Cl8 N8 O12 -","4","1","NA1485","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","Anti-inflammatory drugs. IX. Hydrated diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate (HDEA·D·H~2~O)","Acta Crystallographica Section C","2001","57","4","437","438","10.1107/S010827010002076X","","","0.71073","MoKα","","0.097","0.048","","0.146","","0.121","","","0.9","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011892","6.5984","0.0005","7.1839","0.0004","11.2817","0.0006","103.084","0.004","98.38","0.005","102.485","0.005","497.81","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","NA1499","Ellis, Dianne D.; Spek, Anthony L.","3-(1-Hydroxyethylidene)-1-phenylpyrrolidine-2,4-dione","Acta Crystallographica Section C","2001","57","4","433","434","10.1107/S0108270100020758","","","0.71073","MoKα","","0.0677","0.0439","","","","0.1155","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011893","6.5843","0.0005","10.404","0.0007","22.3443","0.0012","90","","90","","90","","1530.65","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5S,9S,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-<i>abeo</i>-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.0426","0.0345","","","","0.0861","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011894","6.6278","0.0005","11.1491","0.0009","21.1609","0.0019","90","","90","","90","","1563.7","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5R,9R,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-<i>abeo</i>-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.065","0.0393","","","","0.0915","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011895","12.826","0.002","7.392","0.001","11.447","0.002","90","","90","","90","","1085.3","0.3","200","2","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","diiodo-3,4,5,6-tetrahydropyrimidinium-2-thiolato mercury(II)","","- C4 H8 Hg I2 N2 S -","- C4 H8 Hg I2 N2 S -","- C16 H32 Hg4 I8 N8 S4 -","4","0.5","NA1502","Matković-Čalogović, Dubravka; Popović, Zora; Pavlović, Gordana; Soldin, Željka; Giester, Gerald","Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)mercury(II)","Acta Crystallographica Section C","2001","57","4","409","411","10.1107/S0108270101001822","","","0.71073","MoKα","","0.0293","0.0247","","","","0.0565","","","","","","1.116","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011896","28.485","0.002","12.964","0.003","5.413","0.002","90","","93.27","0.03","90","","1995.7","0.9","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimethorprim maleate","","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C72 H88 N16 O28 -","4","1","OA1113","Prabakaran, Ponraj; Justin Robert, Jebamony; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara","Aminopyrimidine‒carboxyl(ate) interactions in trimethoprim maleate, an antifolate drug","Acta Crystallographica Section C","2001","57","4","459","461","10.1107/S0108270101000269","","","1.54178","CuKα","","0.1465","0.0651","","","","0.2569","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011897","11.046","0.003","27.336","0.004","6.707","0.006","90","","97.45","0.04","90","","2008.1","1.9","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 As Cl2 N4 -","- C16 H14 As Cl2 N4 -","- C64 H56 As4 Cl8 N16 -","4","0.5","OA1116","Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Mochida, Tomoyuki","A uniform and one-dimensional stacking of 2,5-dichlorotetracyanoquinodimethanide molecules in the tetramethylarsonium salt","Acta Crystallographica Section C","2001","57","4","400","402","10.1107/S0108270101000245","","","0.7107","MoKα","","","0.0626","","","","0.0905","","","","","","1.954","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011898","8.5981","0.0003","5.1355","0.0002","18.2159","0.0007","90","","90","","90","","804.33","0.05","253","2","253","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3'-Selenobis(propionic acid)","","- C6 H10 O4 Se -","- C6 H10 O4 Se -","- C24 H40 O16 Se4 -","4","0.5","OS1132","Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W.","3,3'-Selenobis(propionic acid)","Acta Crystallographica Section C","2001","57","4","439","440","10.1107/S0108270100021077","","","0.71073","MoKα","","0.0335","0.0232","","","","0.0612","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011899","5.7502","0.0009","5.7502","0.0009","8.637","0.003","90","","90","","90","","285.58","0.12","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.91 Mn2.09 O4 -","- Li0.907 Mn2.093 O4 -","- Li3.628 Mn8.372 O16 -","4","0.125","SK1365","Björk, Helen; Dabkowska, Hanna; Greedan, John E.; Gustafsson, Torbjörn; Thomas, John O.","(Li~0.91~Mn~0.09~)Mn~2~O~4~","Acta Crystallographica Section C","2001","57","4","331","332","10.1107/S0108270100019430","","","0.71073","MolybdenumKα~1~","","0.038","0.038","","0.083","","0.083","","","","","","3.94","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011900","7.382","0.003","18.187","0.011","5.413","0.002","90","","90","","90","","726.7","0.6","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Rubidiumdicoppervanadiumtetrasulfide","Rubidiumdicoppervanadiumtetrasulfide","","- Cu2 Rb S4 V -","- Cu2 Rb S4 V -","- Cu8 Rb4 S16 V4 -","4","0.5","SK1402","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","RbCu~2~VS~4~","Acta Crystallographica Section C","2001","57","4","333","334","10.1107/S0108270100019442","","","0.71073","MoKα","","0.058","0.033","","","","0.078","","","1.039","1.08","1.08","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011901","13.852","0.0003","20.076","0.0004","10.474","0.0002","90","","125.066","0.0012","90","","2384.05","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1,6-bis(dimethylamino)methyl]phenyl}diphenyltin bromine monohydrate","","- C24 H31 Br N2 O Sn -","- C24 H31 Br N2 O Sn -","- C96 H124 Br4 N8 O4 Sn4 -","4","0.5","SK1427","Jambor, Roman; Císařová, Ivana; Rǔžička, Aleš; Holeček, Jaroslav","{2,6-Bis[(dimethylamino)methyl]phenyl-<i>N</i>^2^,<i>C</i>^1^,<i>N</i>^6^}diphenyltin(II) bromide monohydrate","Acta Crystallographica Section C","2001","57","4","373","374","10.1107/S0108270101000026","","","0.71073","MoKα","","0.0211","0.0202","","","","0.0503","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011902","8.558","0.003","12.989","0.003","24.991","0.005","90","","90","","90","","2778","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Cl Fe N2 O2 S2 -","- C34 H22 Cl Fe N2 O2 S2 -","- C136 H88 Cl4 Fe4 N8 O8 S8 -","4","1","SK1428","Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid","{Bis[2-(2-oxido-1-naphthylmethylideneamino)phenyl] disulfide}chloroiron(III)","Acta Crystallographica Section C","2001","57","4","375","376","10.1107/S0108270101000038","","","0.71073","MoKα","","0.029","0.024","","","","0.067","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011903","9.5078","0.0002","9.5078","0.0002","87.797","0.002","90","","90","","120","","6873.4","0.3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo21 Rb4 Se24 -","- Mo21 Rb4 Se24 -","- Mo126 Rb24 Se144 -","6","0.333333","SK1436","Picard, S.; Gougeon, P.; Potel, M.","Rb~4~Mo~21~Se~24~ containing Mo~12~ and Mo~15~ clusters","Acta Crystallographica Section C","2001","57","4","335","336","10.1107/S0108270100019466","","","0.71073","MoKα","","0.118","0.051","","","","0.117","","","","","","0.959","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011904","9.71","0.002","10.3412","0.0012","11.051","0.002","89.442","0.011","82.317","0.014","70.628","0.008","1036.7","0.3","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decan-1,2'-bicyclo[1.1.0]butan-4',1""- tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate","","- C26 H34 O4 -","- C26 H34 O4 -","- C52 H68 O8 -","2","1","SK1443","Bats, Jan W.; Bolte, Michael; Grundl, Marc A.; Hashmi, A. Stephen K.","Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decane-1,2'-bicyclo[1.1.0]butane-4',1''-tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate, a strain-enhanced bicyclo[1.1.0]butane with a very short intramolecular C—H···H—C contact","Acta Crystallographica Section C","2001","57","4","441","443","10.1107/S010827010100004X","","","0.71073","MoKα","","0.051","0.04","","","","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011905","11.459","0.002","9.7078","0.0011","13.468","0.004","90","","90","","90","","1498.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-N:N']","","- C6 H8 Br Cu N2 -","- C6 H8 Br Cu N2 -","- C48 H64 Br8 Cu8 N16 -","8","1","SK1444","Näther, Christian; Greve, Jan","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","4","377","378","10.1107/S0108270101000051","","","0.71073","MoKα","","0.057","0.032","","","","0.085","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011906","21.186","0.004","21.186","0.004","36.633","0.001","90","","90","","90","","16443","4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H27 F O4 -","- C23 H27 F O4 -","- C736 H864 F32 O128 -","32","2","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.057","0.0433","","","","0.0825","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011907","14.892","0.001","11.813","0.001","13.351","0.001","90","","115.78","0.01","90","","2114.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl O4 -","- C23 H27 Cl O4 -","- C92 H108 Cl4 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0656","0.0397","","","","0.1007","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011908","9.736","0.002","11.37","0.003","18.263","0.003","90","","99.54","0.01","90","","1993.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.1784","0.0792","","","","0.2257","","","","","","1.223","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011909","9.339","0.001","11.638","0.001","20.052","0.001","90","","102.65","0.01","90","","2126.5","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0559","0.041","","","","0.111","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011910","8.916","0.002","11.573","0.002","21.106","0.005","90","","98.15","0.01","90","","2155.8","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O5 -","- C24 H30 O5 -","- C96 H120 O20 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0809","0.046","","","","0.1141","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011911","9.223","0.001","12.012","0.001","20.661","0.001","90","","101.42","0.01","90","","2243.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0871","0.0557","","","","0.1314","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011912","11.936","0.003","12.969","0.004","16.204","0.005","74.5","0.01","90.16","0.01","65.5","0.01","2180.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Cl2 O4 -","- C23 H26 Cl2 O4 -","- C92 H104 Cl8 O16 -","4","2","SK1447","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Two diastereomers of 9-(2,6-dichlorophenyl)-4a-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,4a,5,6,7,8,9a-decahydroxanthene-1,8-dione in the same crystal","Acta Crystallographica Section C","2001","57","4","444","445","10.1107/S0108270101000063","","","0.71073","MoKα","","0.1534","0.0787","","","","0.2414","","","","","","0.916","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011913","12.052","0.003","8.009","0.003","14.354","0.003","90","","92.35","0.02","90","","1384.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethylhydroxamic acid","N-propionylhydroxylamine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C36 H84 N12 O24 -","12","3","SK1449","Ferguson, George; Glidewell, Christopher","<i>N</i>-Propionylhydroxylamine forms a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2001","57","4","452","454","10.1107/S0108270101000075","","","0.71073","MoKα","","0.0504","0.0376","","","","0.1138","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011914","10.4286","0.0005","12.1213","0.0012","14.6271","0.0018","90","","90","","90","","1849","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethylglycinium trifluoroacetate","1-Carboxy-N,N-dimethylmethanaminium trifluoroacetate","","- C6 H10 F3 N O4 -","- C6 H10 F3 N O4 -","- C48 H80 F24 N8 O32 -","8","1","SK1450","Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.","Conformation of cationic <i>N</i>,<i>N</i>-dimethylglycine in dimethylglycinium trifluoroacetate","Acta Crystallographica Section C","2001","57","4","417","420","10.1107/S0108270101000087","","","0.71073","MoKα","","0.052","0.037","","","","0.105","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011915","4.4772","0.0003","11.1379","0.0007","13.1891","0.0009","90","","94.748","0.001","90","","655.44","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-diamino-4 -nitrobenzene","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","SK1454","Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline","Acta Crystallographica Section C","2001","57","4","455","458","10.1107/S0108270101001809","","","0.71073","MoKα","","0.0918","0.0587","","","","0.1925","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011916","8.5377","0.0006","14.0119","0.0009","12.7071","0.0008","90","","90.899","0.002","90","","1519.96","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitroaniline","","- C6 H5 N3 O4 -","- C6 H5 N3 O4 -","- C48 H40 N24 O32 -","8","2","SK1454","Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline","Acta Crystallographica Section C","2001","57","4","455","458","10.1107/S0108270101001809","","","0.71073","MoKα","","0.1412","0.0464","","","","0.1325","","","","","","0.825","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011917","20.674","0.007","7.653","0.002","19.211","0.006","90","","116.939","0.004","90","","2709.7","1.4","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{N-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O} (tetrahydrofuran-O)bis(trifluoromethanesulfonato-O)titanium(II)","","- C20 H23 F6 N O9 S3 Ti -","- C20 H23 F6 N O9 S3 Ti -","- C80 H92 F24 N4 O36 S12 Ti4 -","4","1","TA1308","Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.","{<i>N</i>-[2-(η^5^-Cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>}(tetrahydrofuran-<i>O</i>)bis(trifluoromethanesulfonato-<i>O</i>)titanium(II)","Acta Crystallographica Section C","2001","57","4","366","367","10.1107/S0108270100020515","","","0.71073","MoKα","","0.088","0.044","","","","0.12","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011918","11.551","0.004","15.068","0.005","15.218","0.005","90","","93.233","0.005","90","","2644.5","1.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis(μ-{N-[η^5^-2-(cyclopentadienyl)ethyl]-p-toluenesulfonamido-N,O:O'}) bis[bis(trifluoromethanesulfonato-O)titanium(II)] bis(dichloromethane) solvate","","- C34 H34 Cl4 F12 N2 O16 S6 Ti2 -","- C34 H34 Cl4 F12 N2 O16 S6 Ti2 -","- C68 H68 Cl8 F24 N4 O32 S12 Ti4 -","2","0.5","TA1309","Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.","Bis{μ-<i>N</i>-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>:<i>O</i>'}bis[bis(trifluoromethanesulfonato-<i>O</i>)titanium(II)] bis(dichloromethane) solvate","Acta Crystallographica Section C","2001","57","4","368","369","10.1107/S0108270100020527","","","0.71073","MoKα","","0.126","0.056","","","","0.139","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011919","5.007","0.001","17.676","0.003","6.523","0.001","90","","100.4","0.02","90","","567.83","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium tartrate","L-prolinium tartrate","","- C9 H15 N O8 -","- C9 H15 N O8 -","- C18 H30 N2 O16 -","2","1","VJ1124","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","<small>L</small>-Prolinium tartrate","Acta Crystallographica Section C","2001","57","4","423","424","10.1107/S0108270100020370","","","1.5418","CuKα","","0.0276","0.0275","","","","0.0736","","","","","","1.035","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011920","30.992","0.007","8.613","0.004","6.721","0.007","90","","90","","90","","1794","2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Cyclohexylammonium (2-oxy-2'-hydroxy-biphenyl)phosphonate","","- C18 H24 N O4 P -","- C18 H24 N O4 P -","- C72 H96 N4 O16 P4 -","4","1","VJ1128","Kumara Swamy, K. C.; Said, Musa A.","Cyclohexylammonium 2'-hydroxy-2-biphenyl phosphonate","Acta Crystallographica Section C","2001","57","4","491","492","10.1107/S0108270101001184","","","0.71073","MoKα","","0.0843","0.0543","","","","0.1769","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011921","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Tricoccin R2","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1131","Abdul Ajees, A.; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2. Erratum","Acta Crystallographica Section C","2001","57","4","499","499","10.1107/S010827010002045X","","","1.5418","CuKα","","0.0401","0.0364","","","","0.1034","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011922","10.292","0.002","5.741","0.001","23.474","0.004","90","","95.05","0.01","90","","1381.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H9 Cl F2 N2 S -","- C15 H9 Cl F2 N2 S -","- C60 H36 Cl4 F8 N8 S4 -","4","1","AV1059","Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria","7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","2001","57","5","572","574","10.1107/S0108270101001421","","","0.71073","MoKα","","0.0399","0.0314","","","","0.0891","","","","","","1.066","","","","has coordinates,has Fobs","192027","2020-10-21","18:00:00",""
"2011923","7.616","0.001","10.202","0.003","10.868","0.002","108.86","0.02","106.96","0.01","105.46","0.02","701","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,6-Difluorophenyl)-6-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","","- C16 H12 F2 N2 S -","- C16 H12 F2 N2 S -","- C32 H24 F4 N4 S2 -","2","1","AV1059","Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria","7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","2001","57","5","572","574","10.1107/S0108270101001421","","","0.71073","MoKα","","0.0459","0.0302","","","","0.0729","","","","","","0.916","","","","has coordinates","191031","2020-10-21","18:00:00",""
"2011924","9.9302","0.0008","7.9433","0.0009","7.1288","0.0008","98.31","0.01","110.58","0.01","75.108","0.009","507.83","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","nitrocarbamimidoyl azide","","- C H2 N6 O2 -","- C H2 N6 O2 -","- C4 H8 N24 O8 -","4","2","AV1067","Vasiliev, Alexander D.; Astachov, Alexander M.; Nefedov, Andrey A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","Nitroguanyl azide","Acta Crystallographica Section C","2001","57","5","625","626","10.1107/S0108270101002827","","","1.5418","CuKα","","0.036","0.0339","","","","0.0951","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011925","7.333","0.003","9.389","0.004","17.161","0.007","90","","95.05","0.04","90","","1176.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-7-methoxy-2-methyl-5H-1-benzopyrano[4,3-b]pyridin-5-one","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","AV1068","Kettmann, Viktor; Světlík, Jan; Kratky, Christoph","4-Hydroxy-7-methoxy-2-methyl-5<i>H</i>-1-benzopyrano[4,3-<i>b</i>]pyridin-5-one","Acta Crystallographica Section C","2001","57","5","590","592","10.1107/S0108270101002360","","","0.71073","MoKα","","0.101","0.054","","0.185","","0.15","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011926","15.6","0.004","20.764","0.006","5.826","0.003","90","","90","","90","","1887.1","1.2","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(2S)-N-[5-(4-chlorophenyl)-2,3-dihydro-6H-1,3,4-thiadiazin-2-ylidene]-2- (phenylsulfonyl)amino]propanamide","","- C18 H17 Cl N4 O3 S2 -","- C18 H17 Cl N4 O3 S2 -","- C72 H68 Cl4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.074","0.051","","","","0.123","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011927","9.675","0.019","12.704","0.019","15.606","0.015","90","","90","","90","","1918","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R)-N-[5-(4-fluoro-phenyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C18 H17 F N4 O3 S2 -","- C18 H17 F N4 O3 S2 -","- C72 H68 F4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.06","0.049","","","","0.128","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011928","10.613","0.004","11.193","0.004","16.399","0.005","90","","102.48","0.03","90","","1902","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S)-N-[5-(5-chloro-2-thienyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C16 H15 Cl N4 O3 S3 -","- C16 H15 Cl N4 O3 S3 -","- C64 H60 Cl4 N16 O12 S12 -","4","2","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.107","0.061","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011929","7.7492","0.0002","10.447","0.0003","14.3852","0.0003","90","","100.81","0.001","90","","1143.9","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-ethyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C17 H25 N O10 S -","- C17 H25 N O10 S -","- C34 H50 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.096","0.062","","","","0.168","","","","","","0.88","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011930","7.3543","0.0002","10.2555","0.0001","14.0142","0.0004","90","","100.684","0.002","90","","1038.66","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-methyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C16 H23 N O10 S -","- C16 H23 N O10 S -","- C32 H46 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.126","0.072","","","","0.184","","","","","","0.86","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011931","7.197","0.004","47.756","0.002","5.076","0.003","90","","90","","90","","1744.6","1.4","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,17-Heptadecanediol","","","- C17 H36 O2 -","- C17 H36 O2 -","- C68 H144 O8 -","4","1","BJ1023","Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro","1,17-Heptadecanediol","Acta Crystallographica Section C","2001","57","5","585","586","10.1107/S010827010100213X","","","1.5418","CuKα","","0.0689","0.0435","","0.0615","","0.0541","","","1.362","","","1.459","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011932","9.968","0.003","9.909","0.004","4.068","0.002","103.06","0.04","103.51","0.04","98.15","0.03","372.5","0.3","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","0.045","0.043","","0.052","","0.051","","","1.7","","","1.74","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011933","9.944","0.002","9.885","0.002","4.0314","0.0008","103.22","0.02","103.08","0.02","98.44","0.02","367.43","0.14","245","","245","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","","0.094","","","","0.107","","","","","","2.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011934","9.927","0.002","9.866","0.002","4.0015","0.0008","103.4","0.01","102.77","0.02","98.73","0.02","363.2","0.14","40","","40","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","","0.069","","","","0.085","","","","","","2.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011935","10.015","0.005","9.988","0.004","4.2432","0.0015","101.5","0.03","104.41","0.03","97.29","0.03","395.8","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 O5 Rb -","- C5 H6 O5 Rb -","- C10 H12 O10 Rb2 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","0.057","0.054","","0.052","","0.052","","","1.567","","","1.59","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011936","9.162","0.003","9.898","0.003","3.7672","0.0017","98.86","0.04","97.66","0.03","109.61","0.03","311.6","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","1","0.5","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.06","0.059","","0.1","","0.098","","","1.96","","","1.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011937","9.824","0.003","5.572","0.0017","15.556","0.005","90","","101.31","0.03","90","","835","0.5","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C32 H36 N4 O12 -","2","0.5","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.06","0.059","","0.106","","0.102","","","1.89","","","1.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011938","7.889","0.003","16.839","0.01","8.288","0.002","90","","100.49","0.03","90","","1082.6","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.082","0.079","","0.096","","0.088","","","1.47","","","1.46","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011939","8.528","0.005","20.668","0.008","6.5438","0.0015","90","","90","","90","","1153.4","0.9","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O8 -","- C9 H13 N O8 -","- C36 H52 N4 O32 -","4","1","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.047","0.044","","0.046","","0.044","","","1.8","","","1.81","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011940","17.624","0.005","27.665","0.005","10.428","0.003","90","","94.52","0.02","90","","5069","2","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 Cl3 N2 P Re -","- C27 H21 Cl3 N2 P Re -","- C216 H168 Cl24 N16 P8 Re8 -","8","2","BK1586","Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","<i>fac</i>-Trichloro(quinolin-8-ylimido-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhenium(V)","Acta Crystallographica Section C","2001","57","5","558","559","10.1107/S0108270101003535","","","0.7107","MoKα","","","0.0483","","","","0.1265","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011941","9.7467","0.0012","14.2911","0.0018","9.2122","0.0011","94.091","0.011","95.769","0.011","70.809","0.009","1204.7","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","5,7-dimethyl-1,2-diphenyl-6-(4,5-benzo-1,3-dithiol-2-ylidene)- C~1~-homobasketane","5,7-dimethyl-1,2-diphenyl-6-(1,3-benzodithiol-2-ylidene) pentacyclo[5.4.0.0^2,5^.0^3,11^.0^4,8^]undecane","","- C32 H28 S2 -","- C32 H28 S2 -","- C64 H56 S4 -","2","1","BK1587","Tomura, Masaaki; Yamashita, Yoshiro","A molecule with a <i>C</i>~1~-homobasketane framework","Acta Crystallographica Section C","2001","57","5","619","620","10.1107/S0108270101002761","","","0.71069","MoKα","","0.117","0.042","","","","0.122","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011942","10.579","0.002","12.104","0.002","7.003","0.002","90","","102.26","0.03","90","","876.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hydronium-5-amino-uracil-6-sulphonate hydrate","","","- C4 H9 N3 O7 S -","- C4 H9 N3 O7 S -","- C16 H36 N12 O28 S4 -","4","1","BM1438","Mazumder, G.; De, M.; Mazumder, S.K.; Mukhopadhyay, A.","Oxonium 5-aminouracil-6-sulfonate hydrate","Acta Crystallographica Section C","2001","57","5","562","563","10.1107/S010827010001742X","","","1.5418","CuKα","","0.0532","0.0517","","","","0.1385","","","","","","0.922","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011943","8.147","0.0016","8.412","0.0017","11.149","0.002","98.46","0.03","108.69","0.03","96.93","0.03","704.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5-acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","BM1442","Vladimir N. Nesterov; Elena A. Viltchinskaia","5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile","Acta Crystallographica Section C","2001","57","5","616","618","10.1107/S0108270101002682","","","0.71073","MoKα","","0.1083","0.0552","","","","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011944","8.455","0.001","8.475","0.001","12.073","0.002","83.05","0.02","71.33","0.02","76.35","0.02","795.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyrano-3-carboxylate","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C32 H30 N6 O10 -","2","1","BM1442","Vladimir N. Nesterov; Elena A. Viltchinskaia","5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile","Acta Crystallographica Section C","2001","57","5","616","618","10.1107/S0108270101002682","","","0.71073","MoKα","","0.1126","0.0579","","","","0.1537","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011945","18.97","0.004","18.97","0.004","12.414","0.005","90","","90","","120","","3868.8","1.9","294","","","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- B H32 K5 O56 W12 -","- B K2 O54 W12 -","- B3 K6 O162 W36 -","3","0.25","BR1308","Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica Section C","2001","57","5","505","507","10.1107/S0108270101002840","","","0.71073","MoKα","","","0.036","","","","0.048","","","","","","1.54","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011946","13.097","0.0009","6.531","0.0005","10.6873","0.0006","90","","90","","90","","914.15","0.11","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- Ge0.32 K O5 Sb Si0.68 -","- Ge0.324 K0.999 O5 Sb Si0.675 -","- Ge2.592 K7.992 O40 Sb8 Si5.4 -","8","1","BR1312","Norberg, Stefan T.; Svensson, Göran; Albertsson, Jörgen","KSbO(Ge~0.32~Si~0.68~)O~4~, a KTP isomorph","Acta Crystallographica Section C","2001","57","5","510","512","10.1107/S0108270101003547","","","0.71073","MoKα","","0.123","0.046","","0.168","","0.168","","","1","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011947","28.6498","0.0004","10.67","0.0002","18.2997","0.0004","90","","121.524","0.001","90","","4768.53","0.16","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[8-(5-iodo-n-hexyl)-5-(pentahapto-pentamethylcyclopentadienyl)- arachno-3-rhoda-7,8-dithia-arachno-undecaborane]","","- C15 H34 B8 I Rh S2 -","- C15 H34 B8 I Rh S2 -","- C120 H272 B64 I8 Rh8 S16 -","8","1","BR1313","Macías, Ramón; Barrett, Simon A; Bould, Jonathan; Dörfler, Udo; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Bohumil Štíbr","Ten-vertex rhodadithiaborane chemistry: [8-{I(CH~2~)~5~}-3-(η^5^-C~5~Me~5~)-<i>arachno</i>-3,7,8-RhS~2~B~8~H~9~]","Acta Crystallographica Section C","2001","57","5","520","522","10.1107/S010827010100244X","","","0.71069","MoKα","","0.0615","0.0578","","","","0.1622","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011948","7.3566","0.0008","7.1341","0.0009","13.793","0.0013","90","","114.28","0.02","90","","659.86","0.16","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Rubidium antimonide","","- Rb Sb -","- Rb Sb -","- Rb8 Sb8 -","8","2","BR1316","Hirschle, Christian; Emmerling, Franziska; Röhr, Caroline","β-Rubidium antimonide, Rb~4~Sb~4~","Acta Crystallographica Section C","2001","57","5","501","502","10.1107/S0108270101002451","","","0.7107","MoKα","","0.1238","0.0481","","","","0.127","","","","","","1.022","","","","has coordinates,has Fobs","281689","2023-03-07","09:04:01",""
"2011949","11.3717","0.0006","11.3717","0.0006","36.739","0.003","90","","90","","120","","4114.4","0.5","293","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","3α-hydroxytirucalla-7,24-diene-21-oic acid","","- C30 H48 O3 -","- C30 H48 O3 -","- C180 H288 O18 -","6","1","DA1159","Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali","3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from <i>Protium crenatum</i> Sandwith","Acta Crystallographica Section C","2001","57","5","638","640","10.1107/S0108270101003316","","","0.71073","MoKα","","0.101","0.049","","","","0.14","","","","","","0.901","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011950","10.552","0.005","15.287","0.002","16.072","0.009","90","","96.6","0.05","90","","2575.4","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 B F15 N O -","- C27 H15 B F15 N O -","- C108 H60 B4 F60 N4 O4 -","4","1","DA1161","Stibrany, Robert T.; Brant, Patrick","Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate","Acta Crystallographica Section C","2001","57","5","644","645","10.1107/S0108270101003328","","","1.5418","CuKα","","0.0708","0.0444","","","","0.1178","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011951","7.6541","0.0002","11.0918","0.0003","17.599","0.0005","90","","90","","90","","1494.12","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanyl-L-alanine dihydrate","","- C12 H20 N2 O5 -","- C12 H20 N2 O5 -","- C48 H80 N8 O20 -","4","1","DA1163","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-alanine dihydrate","Acta Crystallographica Section C","2001","57","5","575","576","10.1107/S010827010100155X","","","0.71073","MoKα","","0.0444","0.0348","","","","0.0895","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011952","8.596","0.004","9.15","0.005","10.724","0.005","92.528","0.009","101.917","0.009","99.127","0.009","812.3","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(hexafluoroantimonato-F)(phthalocyaninato- κ^4^N^29^,N^30^,N^31^,N^32^)copper(II)","","- C32 H16 Cu F12 N8 Sb2 -","- C32 H16 Cu F12 N8 Sb2 -","- C32 H16 Cu F12 N8 Sb2 -","1","0.5","DA1164","Gardberg, Anna S.; Ibers, James A.","<i>trans</i>-Bis(hexafluoroantimonato)(phthalocyaninato)copper(II)","Acta Crystallographica Section C","2001","57","5","528","529","10.1107/S0108270101001561","","","0.71073","MoKα","","0.114","0.064","","","","0.15","","","","","","1.343","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011953","10.474","0.002","13.221","0.002","20.288","0.003","90","","91.33","0.01","90","","2808.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(rac-Me6[14]aneN4)(nicotinato)]ClO4","(Nicotinato-O,O')(C-rac-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) perchlorate","","- C22 H40 Cl N5 Ni O6 -","- C22 H40 Cl N5 Ni O6 -","- C88 H160 Cl4 N20 Ni4 O24 -","4","1","DA1165","Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simón; Martínez-García, Marcos; Saniger-Blesa, José-Manuel","(<i>C</i>-<i>rac</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(nicotinato-<i>O</i>,<i>O</i>')nickel(II) perchlorate","Acta Crystallographica Section C","2001","57","5","553","555","10.1107/S010827010100333X","","","0.71073","MoKα","","0.087","0.046","","","","0.1","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011954","12.313","0.002","10.674","0.005","19.535","0.002","90","","90","","90","","2567.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C112 H144 O16 S8 -","8","1","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.081","0.052","","","","0.15","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011955","22.136","0.008","10.144","0.002","24.923","0.006","90","","114.17","0.02","90","","5106","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C224 H288 O32 S16 -","16","2","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.075","0.044","","","","0.124","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011956","5.8759","0.0006","6.9198","0.0007","22.262","0.002","90","","90.08","0.002","90","","905.17","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gabapentin","1-(aminomethyl)cyclohexaneacetic acid","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","DA1172","Ibers, James A.","Gabapentin and gabapentin monohydrate","Acta Crystallographica Section C","2001","57","5","641","643","10.1107/S0108270101003341","","","0.71073","MoKα","","0.0664","0.0464","","","","0.1182","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011957","14.567","0.003","9.2153","0.0018","7.6503","0.0015","90","","93.375","0.003","90","","1025.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gabapentin monohydrate","1-(aminomethyl)cyclohexaneacetic acid monohydrate","","- C9 H19 N O3 -","- C9 H19 N O3 -","- C36 H76 N4 O12 -","4","1","DA1172","Ibers, James A.","Gabapentin and gabapentin monohydrate","Acta Crystallographica Section C","2001","57","5","641","643","10.1107/S0108270101003341","","","0.71073","MoKα","","0.0997","0.0573","","","","0.1329","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011958","8.0796","0.0004","10.197","0.0007","13.7534","0.0009","90","","90","","90","","1133.11","0.12","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-dimethoxy-11-oxatricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-diol","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","DA1175","Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo","Two polycyclic compounds derived from a Diels‒Alder reaction","Acta Crystallographica Section C","2001","57","5","646","648","10.1107/S0108270101003365","","","0.71073","MoKα","","0.034","0.028","","0.073","","0.071","","","1.054","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011959","7.545","0.001","10.75","0.001","27.336","0.003","90","","94.69","0.02","90","","2209.8","0.4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-dimethoxy-3,7-dioxatetracyclo[6.4.0.0^2,6^0^4,12^]dodec-9-en-11-ol","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","DA1175","Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo","Two polycyclic compounds derived from a Diels‒Alder reaction","Acta Crystallographica Section C","2001","57","5","646","648","10.1107/S0108270101003365","","","0.71073","MoKα","","0.061","0.04","","0.111","","0.1","","","1.055","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011960","10.556","0.004","9.191","0.001","12.536","0.006","90","","114.28","0.05","90","","1108.7","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O11 -","- C18 H24 N2 O11 -","- C36 H48 N4 O22 -","2","1","DA1176","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian; Averbuch-Pouchot, Marie-Thérèse","<i>N</i>-(2-Acetamido-3,4,6-tri-<i>O</i>-acetyl-2-deoxy-α-<small>D</small>-galactopyranosyloxy)succinimide","Acta Crystallographica Section C","2001","57","5","649","650","10.1107/S0108270101003377","","","0.71073","MoKα","","0.069","0.069","","0.055","","0.055","","","1.939","","","1.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011961","7.995","0.002","9.261","0.002","18.062","0.002","98.29","0.01","94.47","0.01","101.21","0.01","1290.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C10 H13.5 N4 O3.75 S -","- C10 H13.5 N4 O3.75 S -","- C40 H54 N16 O15 S4 -","4","4","DE1134","Mazumder, G.; De, M.; Mazumder, S. K.; Mukhopadhyay, A.; Das, A. K.; Van Aerschot, A.","9(<i>R</i>)-[6(<i>R</i>)-Hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl]hypoxanthine‒water (4/3), a nucleoside analogue","Acta Crystallographica Section C","2001","57","5","560","561","10.1107/S0108270100010799","","","0.71069","MoKα","","0.0725","0.0715","","0.1545","0.1535","","","","0.958","1.135","1.135","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011962","10.8871","0.0002","13.4187","0.0003","17.9641","0.0004","68.7915","0.0012","83.8241","0.001","87.0651","0.0011","2432.23","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Chloro(2-pyridinecarboxaldehyde)(2,2':6',2""-terpyridine)ruthenium(II) Perchlorate, Chloro(2-pyridinecarboxylic acid)(2,2':6',2""-terpyridine)ruthenium(II) Perchlorate, Chloroform, Hydrate (1.8/0.2/1/1)","","- C43 H35 Cl7 N8 O11.2 Ru2 -","- C43 H34.799 Cl7 N8 O11.201 Ru2 -","- C86 H69.598 Cl14 N16 O22.402 Ru4 -","2","1","FG1610","Kelson, Eric P.; Phengsy, Proma P.; Arif, Atta M.","A chloro(2-pyridinecarboxaldehyde)(2,2':6',2''-terpyridine)ruthenium(II) complex","Acta Crystallographica Section C","2001","57","5","517","519","10.1107/S0108270101001305","","","0.71073","MoKα","","0.0867","0.0486","","","","0.1162","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011963","13.144","0.003","7.75","0.002","22.415","0.005","90","","100.87","0.01","90","","2242.4","0.9","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-3,6-Dioxo-5β-cholanic acid","","- C24 H37 O4.5 -","- C24 H36.5 O4.5 -","- C96 H146 O18 -","4","1","FR1302","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","({-})-3,6-Dioxo-5β-cholanic acid: hydrogen bonding in the hemihydrate of a steroidal diketo acid","Acta Crystallographica Section C","2001","57","5","632","633","10.1107/S0108270101002980","","","0.71073","MoKα","","0.113","0.05","","","","0.109","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011964","9.1947","0.0013","11.24","0.003","13.1995","0.0013","95.874","0.013","91.525","0.01","102.63","0.02","1322.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Rhodamine-6g","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)- 2,7-dimethylxanthylium chloride monohydrate","","- C28 H33 Cl N2 O4 -","- C28 H31 Cl N2 O4 -","- C56 H62 Cl2 N4 O8 -","2","1","FR1307","Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman","Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate","Acta Crystallographica Section C","2001","57","5","657","659","10.1107/S0108270101003675","","","0.71073","MoKα","","0.0937","0.067","","","","0.217","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011965","13.5624","0.0014","21.468","0.003","15.427","0.003","90","","95.409","0.012","90","","4471.7","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodamine-123","9-[2-(methoxycarbonyl)phenyl]-3,6-diamio- xanthylium chloride trihydrate","","- C21 H23 Cl N2 O6 -","- C21 H21 Cl N2 O6 -","- C168 H168 Cl8 N16 O48 -","8","1","FR1307","Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman","Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate","Acta Crystallographica Section C","2001","57","5","657","659","10.1107/S0108270101003675","","","0.71073","MoKα","","0.1202","0.0715","","","","0.2683","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011966","7.1995","0.0005","12.6309","0.0014","3.7913","0.0003","90.805","0.009","99.905","0.007","94.116","0.008","338.63","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 N O2 -","- C8 H5 N O2 -","- C16 H10 N2 O4 -","2","1","FR1319","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-Cyanotropolone and 5-nitrotropolone","Acta Crystallographica Section C","2001","57","5","611","613","10.1107/S0108270101002463","","","0.71073","MoKα","","0.0502","0.0361","","","","0.1063","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011967","7.5701","0.001","14.496","0.003","6.4945","0.0007","90.751","0.014","104.796","0.008","94.41","0.013","686.61","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","2","FR1319","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-Cyanotropolone and 5-nitrotropolone","Acta Crystallographica Section C","2001","57","5","611","613","10.1107/S0108270101002463","","","0.71073","MoKα","","0.0616","0.0388","","","","0.1191","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011968","10.221","0.002","12.325","0.003","3.7951","0.0009","97.24","0.02","98.49","0.02","67.649","0.018","436.04","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","bis(4-pyridinium)acetylene bis(hydrogen squarate)","","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","1","0.5","GD1134","Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro","Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene","Acta Crystallographica Section C","2001","57","5","621","624","10.1107/S0108270101003833","","","0.71069","MoKα","","0.197","0.045","","","","0.141","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011969","10.2606","0.0009","12.2942","0.0017","3.7749","0.0013","97.845","0.017","98.444","0.013","67.259","0.008","432.75","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(4-pyridinium)ethylene bis(hydrogen squarate)","","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","1","0.5","GD1134","Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro","Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene","Acta Crystallographica Section C","2001","57","5","621","624","10.1107/S0108270101003833","","","1.54178","CuKα","","0.055","0.044","","","","0.133","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011970","10.702","0.002","10.702","0.002","8.703","0.002","90","","90","","120","","863.2","0.3","10","2","10","2","","","","","","","","5","P 63","P 6c","173","","","","- H4 N O4 P Zn -","- H4 N O4 P Zn -","- H32 N8 O32 P8 Zn8 -","8","1.33333","GD1138","Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F.","Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K","Acta Crystallographica Section C","2001","57","5","508","509","10.1107/S0108270101002992","","","0.71073","MoKα","","0.0128","0.0125","","","","0.0312","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011971","12.4526","0.0004","12.6673","0.0005","12.6426","0.0005","90","","114.39","0.03","90","","1816.3","0.4","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H23 F8 Fe N4 O -","- C45 H23 F8 Fe N4 O -","- C90 H46 F16 Fe2 N8 O2 -","2","0.5","GG1037","Kim, Youngmee; Nam, Wonwoo; Lim, Mi Hee; Jin, Sook-Won; Lough, Alan J.; Kim, Sung-Jin","Methoxy[<i>meso</i>-5,10,15,20-tetrakis(2,6-difluorophenyl)porphyrinato]iron(III), [Fe(TDFPP)(OCH~3~)]","Acta Crystallographica Section C","2001","57","5","556","557","10.1107/S0108270101003006","","","0.71073","MoKα","","0.12","0.079","","","","0.207","","","","","","1.067","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011972","6.94","0.001","17.755","0.001","13.829","0.002","90","","104.18","0.01","90","","1652.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","protopine hydrochloride","5,6,8,14-tetrahydro-14a-hydroxy-7-methyl-1,3-benzodioxolo[5,6-a] -1,3-benzodioxolo[4,5-g]quinolizinium chloride","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","GG1038","Dostál, Jiří; Žák, Zdirad; Nečas, Marek; Slavík, Jiří; Potáček, Milan","Protopine hydrochloride","Acta Crystallographica Section C","2001","57","5","651","652","10.1107/S0108270101003249","","","0.71073","MoKα","","0.046","0.039","","","","0.102","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011973","6.8189","0.0002","16.1505","0.0004","9.6257","0.0003","90","","100.761","0.0013","90","","1041.42","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 4-amino-1,3-dioxo-2,3-dihydro-6-methoxy-1H- pyrrolo[3,4-c]pyridine-7-carboxylate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","GG1042","Low, John N.; Cobo, Justo; Garcìa, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","Methyl 4-amino-2,3-dihydro-6-methoxy-1,3-dioxo-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate forms hydrogen-bonded sheets built from <i>R</i>~<b>2~</b>^<b>2^</b>(8) and <i>R</i>~<b>6~</b>^<b>6^</b>(42) rings","Acta Crystallographica Section C","2001","57","5","597","599","10.1107/S0108270101002359","","","0.71073","MoKα","","0.052","0.041","","","","0.113","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011974","21.4179","0.0006","11.1466","0.0002","14.9649","0.0003","90","","133.428","0.0006","90","","2594.61","0.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","N-(2-amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L- isoleucine‒water (4/1)","","- C20 H31 N10 O8.5 -","- C20 H31 N10 O8.5 -","- C80 H124 N40 O34 -","4","1","GG1043","Low, John N.; Cannon, Debbie; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","<i>N</i>-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-<small>L</small>-isoleucine‒water (4/1): interplay of molecular and supramolecular structures","Acta Crystallographica Section C","2001","57","5","604","607","10.1107/S0108270101002475","","","0.71073","MoKα","","0.06","0.042","","","","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011975","4.0413","0.0002","16.6702","0.001","14.0749","0.0008","90","","97.183","0.001","90","","940.77","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2,4-dinitrobenzenesulfenate","","- C7 H6 N2 O5 S -","- C7 H6 N2 O5 S -","- C28 H24 N8 O20 S4 -","4","1","GG1044","Cannon, Debbie; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","Soft C—H···O hydrogen bonds in methyl 2,4-dinitrobenzenesulfenate: sheets built from <i>R</i>~<b>2~</b>^<b>2^</b>(10) and <i>R</i>~<b>6~</b>^<b>6^</b>(42) rings","Acta Crystallographica Section C","2001","57","5","600","603","10.1107/S0108270101002852","","","0.71073","MoKα","","0.087","0.049","","","","0.141","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011976","8.8926","0.0002","10.2539","0.0002","10.85","0.0004","62.2233","0.001","82.4797","0.001","69.105","0.0014","817.03","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate‒ dimethyl sulfoxide (1/1)","","- C13 H18 N4 O6 S -","- C13 H18 N4 O6 S -","- C26 H36 N8 O12 S2 -","2","1","GG1046","Cannon, Debbie; Low, John N.; Cobo, Justo; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate‒dimethyl sulfoxide (1/1) forms chains containing O—H···O and C—H···O hydrogen bonds and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","5","608","610","10.1107/S0108270101003250","","","0.71073","MoKα","","0.061","0.045","","","","0.121","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011977","12.4228","0.0011","12.63","0.003","5.101","0.003","90","","90","","90","","800.3","0.5","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","tribarium diantimonide oxide","","- Ba3 O Sb2 -","- Ba3 O Sb2 -","- Ba12 O4 Sb8 -","4","0.5","IZ1006","Boss, Michael; Pickhard, Frank; Zumdick, Markus; Röhr, Caroline","Barium antimonide oxide, Ba~3~Sb~2~O","Acta Crystallographica Section C","2001","57","5","503","504","10.1107/S0108270101002785","","","0.7107","MoKα","","0.039","0.034","","","","0.078","","","","","","1.228","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011978","13.1476","0.0015","22.6558","0.0016","16.9355","0.0019","90","","90.221","0.014","90","","5044.5","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexa-μ~2~-isopropoxy-1:2κ^4^O;1:3κ^4^O;1:4κ^4^O-hexaisopropoxy- 2κ^2^O,3κ^2^O,4κ^2^O-trialuminium(III)neodymium(III)","","- C36 H84 Al3 Nd O12 -","- C36 H84 Al3 Nd O12 -","- C144 H336 Al12 Nd4 O48 -","4","2","JZ1432","Moustiakimov, Marat; Kritikos, Mikael; Westin, Gunnar","Nd[Al(^<i>i^</i>PrO)~4~]~3~, a novel tetranuclear alkoxide forming merohedrally twinned crystals","Acta Crystallographica Section C","2001","57","5","515","516","10.1107/S0108270101000750","","","0.71073","MoKα","","0.039","0.031","","","","0.069","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2011979","9.509","0.001","12.824","0.001","12.635","0.001","90","","99.78","0.008","90","","1518.4","0.2","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Co N7 O6 S -","- C6 H22 Co N7 O6 S -","- C24 H88 Co4 N28 O24 S4 -","4","1","JZ1442","Konno, Takumi; Yoshimura, Takashi; Hirotsu, Masakazu","(2-Aminoethanethiolato-<i>N</i>,<i>S</i>)bis(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) dinitrate","Acta Crystallographica Section C","2001","57","5","538","539","10.1107/S0108270101002773","","","0.7107","MoKα","","0.039","0.031","","","","0.041","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011980","6.959","0.001","8.564","0.001","18.734","0.003","90","","90","","90","","1116.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-1,3dideaza-2'-deoxyadenosine","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl) -1H-benzotriazole","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","JZ1443","Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria","The high-<i>anti</i> conformation of 8-aza-1,3-dideaza-2'-deoxyadenosine","Acta Crystallographica Section C","2001","57","5","660","662","10.1107/S0108270101004152","","","0.71073","MoKα","","0.0455","0.0412","","","","0.1126","","","","","","1.098","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011981","16.116","0.0001","12.8286","0.0002","17.593","0.0003","90","","90","","90","","3637.28","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diphenyldithiophosphinato-tetracarbonylrhenium(I)","","- C16 H10 O4 P Re S2 -","- C16 H10 O4 P Re S2 -","- C128 H80 O32 P8 Re8 S16 -","8","1","JZ1448","García Fontán, Soledad; Lamas Castro, Elvira; Rodríguez Seoane, Pilar; Vázquez-López, Ezequiel M.","Tetracarbonyl(diphenyldithiophosphinato-<i>S</i>,<i>S</i>')rhenium(I)","Acta Crystallographica Section C","2001","57","5","532","533","10.1107/S0108270101002190","","","0.71073","MoKα","","0.0592","0.0412","","","","0.0976","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011982","8.3162","0.0002","11.2384","0.0003","20.408","0.0005","90","","90","","90","","1907.35","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1-Phenylsulfonylindol-2-yl-methyl)-N-methylaniline","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C88 H80 N8 O8 S4 -","4","1","NA1496","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Narasinga Rao, S.; Kannadasan, S.; Srinivasan, P.C.","<i>N</i>-Methyl-<i>N</i>-(1-phenylsulfonylindol-2-ylmethyl)aniline","Acta Crystallographica Section C","2001","57","5","569","571","10.1107/S010827010100097X","","","0.71073","MoKα","","0.0644","0.0405","","","","0.1186","","","","","","0.91","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011983","10.505","0.003","14.213","0.002","18.822","0.003","90","","92.77","0.02","90","","2807","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans diaqua [tetrakis(3,5-dimethylopyrazole- N^2^)] nickel (II) dichloride","","- C20 H36 Cl2 N8 Ni O2 -","- C20 H36 Cl2 N8 Ni O2 -","- C80 H144 Cl8 N32 Ni4 O8 -","4","0.5","NA1497","Małecka, Magdalena; Rybarczyk, Agnieszka; Olszak, Tomasz A.; Malinowska, Katarzyna; Ochocki, Justyn","<i>trans</i>-Diaquatetrakis(3,5-dimethylpyrazole-<i>N</i>^2^)nickel(II) dichloride","Acta Crystallographica Section C","2001","57","5","513","514","10.1107/S0108270100020746","","","0.71069","MoKα","","0.1222","0.0567","","","","0.1706","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011984","11.1188","0.0001","7.6413","0.0001","27.4773","0.0001","90","","99.065","0.001","90","","2305.37","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) nickel(II)","","- C20 H20 N4 Ni O2 S4 -","- C20 H20 N4 Ni O2 S4 -","- C80 H80 N16 Ni4 O8 S16 -","4","1","NA1503","Wu, Jie-Ying; Chantrapromma, Suchada; Chen, Dong-Wen; Tian, Yu-Peng; Yang, Ping; Fun, Hoong-Kun","{3,3'-[2,2'-(Ethylenedioxy)dibenzylidene]bis(<i>S</i>-methyl dithiocarbazate)}nickel(II)","Acta Crystallographica Section C","2001","57","5","523","525","10.1107/S0108270101001585","","","0.71073","MoKα","","0.044","0.033","","","","0.08","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011985","7.444","0.0004","7.4642","0.0004","13.5136","0.0006","80.3701","0.0017","76.0568","0.0018","68.6413","0.0014","676.06","0.06","150","2","150","","","","","","","","","5","P -1","-P 1","2","","Aqua-[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycyl- glycinato]potassium","","- C9 H13 K N6 O6 -","- C9 H13 K N6 O6 -","- C18 H26 K2 N12 O12 -","2","1","NA1505","Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Glidewell, Christopher","[<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]aquapotassium, a three-dimensional coordination polymer","Acta Crystallographica Section C","2001","57","5","534","537","10.1107/S0108270101002670","","","0.71073","MoKα","","0.067","0.045","","","","0.113","","","","","","1.072","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011987","9.555","0.002","6.287","0.002","17.295","0.002","90","","99.99","0.01","90","","1023.2","0.4","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-stilbene - 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)- propanedinitrile (1/1)","","- C26 H12 F4 N4 -","- C26 H12 F4 N4 -","- C52 H24 F8 N8 -","2","0.5","","Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio","The charge-transfer complex trans-STB‒TCNQF4","Acta Crystallographica Section C Crystal Structure Communications","2001","57","5","564","565","10.1107/S0108270100019454","","","0.71073","MoKα","","0.087","0.04","","","","0.1238","","","","","","1.029","","","","has coordinates","246119","2020-10-21","18:00:00",""
"2011988","4.8574","0.001","7.3046","0.001","23.1846","0.001","91.61","0.01","95.66","0.01","90.99","0.01","818.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lead heptanoate","catena-poly[[(heptanoato-O,O')lead(II)]-μ-heptanoato-O,O':O]","","- C14 H26 O4 Pb -","- C14 H26 O4 Pb -","- C28 H52 O8 Pb2 -","2","1","","Lacouture, Françoise; François, Michel; Didierjean, Claude; Rivera, Jean-Pierre; Rocca, Emmanuel; Steinmetz, Jean","Anhydrous lead(II) heptanoate","Acta Crystallographica Section C Crystal Structure Communications","2001","57","5","530","531","10.1107/S0108270101001615","","","0.71073","MoKα","","0.053","0.042","","","","0.132","","","","","","1.034","","","","has coordinates","246102","2020-10-21","18:00:00",""
"2011989","12.5921","0.0015","12.5921","0.0015","73.721","0.007","90","","90","","120","","10123","2","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Triaqua-hexakis-(μ-betaine)-μ~3~-oxo- triiron(III) trichloride bis(tetrachloromanganate) hexahydrate","","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C180 H504 Cl66 Fe18 Mn12 N36 O132 -","6","0.166667","SK1445","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","An oxo-centred trinuclear Fe^III^ complex: triaquahexakis(μ~2~-betaine-<i>O</i>:<i>O</i>')-μ~3~-oxo-triiron(III) bis(tetrachloromanganate) trichloride hexahydrate","Acta Crystallographica Section C","2001","57","5","542","545","10.1107/S0108270101002876","","","0.71073","MoKα","","0.1193","0.0399","","","","0.1121","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011990","10.69","0.001","12.822","0.003","16.485","0.002","85.24","0.01","71.24","0.01","85.87","0.01","2129.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(benzoato-O,O')bis(2,6-diaminopyridine-N)dicopper(II)acetonitrile solvat","","- C42 H40 Cu2 N8 O8 -","- C42 H40 Cu2 N8 O8 -","- C84 H80 Cu4 N16 O16 -","2","1","SK1448","Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan","Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile","Acta Crystallographica Section C","2001","57","5","546","548","10.1107/S0108270101003183","","","0.71073","MoKα","","0.1466","0.056","","","","0.154","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011991","9.875","0.001","10.707","0.001","18.046","0.002","75.86","0.01","79.69","0.01","68.28","0.01","1710.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(ν-benzoato)bis(acetonitrile)dicopper(II) 1.5 acetonitrile solvat","","- C35 H30.5 Cu2 N3.5 O8 -","- C70 H61 Cu4 N7 O16 -","- C70 H61 Cu4 N7 O16 -","1","0.5","SK1448","Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan","Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile","Acta Crystallographica Section C","2001","57","5","546","548","10.1107/S0108270101003183","","","0.71073","MoKα","","0.0299","0.0249","","","","0.0794","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011992","11.6335","0.0001","5.6309","0.0001","14.8578","0.0002","90","","121.091","0.001","90","","833.48","0.02","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Catena-[m-1,2-bis(4-pyridyl)ethane-bis-thiocyanato)Lead(II)]","","- C14 H12 N4 Pb S2 -","- C14 H12 N4 Pb S2 -","- C28 H24 N8 Pb2 S4 -","2","1","SK1453","Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","<i>catena</i>-Poly[[bis(thiocyanato-<i>N</i>)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","5","526","527","10.1107/S0108270101002888","","","0.71073","MoKα","","0.0398","0.0375","","","","0.0885","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011993","13.5686","0.0009","16.0982","0.0018","19.615","0.003","90","","91.086","0.012","90","","4283.7","0.9","204","2","204","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","","- C26 H34 O4 -","- C26 H34 O4 -","- C208 H272 O32 -","8","2","SK1459","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","Acta Crystallographica Section C","2001","57","5","653","656","10.1107/S0108270101003845","","","0.71073","MoKα","","0.101","0.059","","","","0.159","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011994","13.5304","0.0015","16.005","0.002","39.089","0.007","90","","91.147","0.012","90","","8463","2","142","2","142","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","","- C26 H34 O4 -","- C26 H34 O4 -","- C416 H544 O64 -","16","4","SK1459","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","Acta Crystallographica Section C","2001","57","5","653","656","10.1107/S0108270101003845","","","0.71073","MoKα","","0.176","0.1","","","","0.246","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011995","5.699","0.002","10.347","0.003","11.327","0.004","67.51","0.02","80.38","0.03","80.35","0.03","604.5","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","6-benzyl-3,3-dimethylmorpholine-2,5-dione","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0913","0.0469","","","","0.1302","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011996","13.901","0.004","5.843","0.006","16.559","0.005","90","","112.7","0.02","90","","1240.8","1.4","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-benzyl-3,3-dimethyl-5-thioxomorpholin-2-one","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0988","0.0524","","","","0.151","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011997","8.6915","0.0013","11.896","0.003","13.661","0.004","75.62","0.02","76.211","0.016","84.971","0.018","1328.2","0.6","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","6-benzyl-3,3-dimethylmorpholine-2,5-dithione","","- C13 H15 N O S2 -","- C13 H15 N O S2 -","- C52 H60 N4 O4 S8 -","4","2","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0802","0.0487","","","","0.1421","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011998","34.792","0.005","10.0951","0.0017","11.6821","0.0017","90","","102.962","0.012","90","","3998.5","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1-Di-9-fluorenylethanol","","- C28 H22 O -","- C28 H22 O -","- C224 H176 O8 -","8","1","SX1118","Meyers, Cal Y.; Lutfi, Hisham G.; Hou, Yuqing; Robinson, Paul D.","1,1-Di(9-fluorenyl)ethanol, a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","5","580","581","10.1107/S0108270101001846","","","0.71069","MoKα","","0.177","0.037","","","","0.138","","","","","","0.968","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011999","13.211","0.003","19.044","0.003","9.5505","0.0012","98.852","0.011","108.115","0.014","74.565","0.014","2194.7","0.7","296","","296","","","","","","","","","3","P -1","-P 1","2","","1,1-Di(9-fluorenyl)ethyl Acetate","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","2","SX1121","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","1,1-Di(9-fluorenyl)ethyl acetate, a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","5","582","584","10.1107/S0108270101001858","","","0.71069","MoKα","","0.21","0.043","","","","0.14","","","","","","0.972","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012000","7.595","0.0007","9.9731","0.0009","13.7266","0.0009","90","","98.967","0.006","90","","1027.02","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","1","SX1123","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Morais, G. J. R.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","Acta Crystallographica Section C","2001","57","5","587","589","10.1107/S0108270101002311","","","0.71073","MoKα","","0.059","0.037","","","","0.101","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012001","12.0263","0.0017","6.0321","0.0009","5.829","0.002","90","0.12","90","0.03","90","0.03","422.86","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-Alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","VJ1132","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","<small>DL</small>-Alanine","Acta Crystallographica Section C","2001","57","5","614","615","10.1107/S010827010100261X","","","1.5418","CuKα","","0.0254","0.0252","","","","0.0719","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012002","7.6058","0.0008","10.378","0.0002","10.695","0.001","90","","119.635","0.007","90","","733.76","0.12","293","2","293","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","meso-N,N'-oxalyl-bis-valine","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C24 H40 N4 O12 -","2","0.5","AV1074","Perić, Berislav; Kojić-Prodić, Biserka; Makarević, Janja; Jokić, Milan; Žinić, Mladen","<i>meso</i>-<i>N</i>,<i>N</i>'-Oxalyldivaline","Acta Crystallographica Section C","2001","57","6","747","748","10.1107/S0108270101004590","","","1.54178","CuKα","","0.0841","0.0626","","","","0.1944","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012003","7.8579","0.0001","23.7627","0.0005","15.3423","0.0002","90","","94.765","0.001","90","","2854.89","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-amino-2,4 dicyano-5-ethyl-4'- methyl Biphenyl","","- C17 H15 N3 -","- C17 H15 N3 -","- C136 H120 N24 -","8","2","BJ1022","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.","3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(<i>N</i>,<i>N</i>-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile","Acta Crystallographica Section C","2001","57","6","723","725","10.1107/S0108270101002128","","","0.71073","MoKα","","0.162","0.0667","","","","0.1733","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012004","10.8918","0.0002","10.3458","0.0002","16.5707","0.0002","90","","101.496","0.001","90","","1829.8","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-amino-2,4 dicyano-5-ethyl-4'- N,N diethyl amino Biphenyl","","- C20 H22 N4 -","- C20 H22 N4 -","- C80 H88 N16 -","4","1","BJ1022","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.","3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(<i>N</i>,<i>N</i>-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile","Acta Crystallographica Section C","2001","57","6","723","725","10.1107/S0108270101002128","","","0.71073","MoKα","","0.1397","0.0605","","","","0.1449","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012005","8.3887","0.0006","6.0883","0.0005","16.8795","0.001","90","","90","","90","","862.09","0.11","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Aqua isophthalato zinc(II)","poly[[aquazinc(II)]-μ-benzene-1,3-dicarboxylato]","","- C8 H6 O5 Zn -","- C8 H6 O5 Zn -","- C32 H24 O20 Zn4 -","4","1","BK1593","Otto, Thomas J.; Wheeler, Kraig A.","Aqua(benzene-1,3-dicarboxylato)zinc(II)","Acta Crystallographica Section C","2001","57","6","704","705","10.1107/S0108270101004772","","","0.71073","MoKα","","0.037","0.034","","","","0.085","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012006","7.2662","0.0003","5.4568","0.0005","5.7092","0.0006","97.596","0.002","91.83","0.002","103.493","0.002","217.73","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","chromous hydrazine sulfate","Dihydraziniumchromium(II) sulfate","","- Cr H10 N4 O8 S2 -","- Cr H10 N4 O8 S2 -","- Cr H10 N4 O8 S2 -","1","0.5","BM1427","Parkins, Adrian W.; Prince, Paul D.; Smith, Robert A. L.; Steed, Jonathan W.","Chromous hydrazine sulfate","Acta Crystallographica Section C","2001","57","6","670","671","10.1107/S0108270101000919","","","0.71073","MoKα","","0.027","0.025","","","","0.074","","","","","","1.178","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012007","13.601","0.003","10.981","0.003","17.973","0.004","90","","102.598","0.006","90","","2619.7","1.1","301","2","301","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C27 H25 F Mo N O4 P -","- C27 H25 F Mo N O4 P -","- C108 H100 F4 Mo4 N4 O16 P4 -","4","1","BM1444","McElroy, Liam; Nieuwenhuyzen, Mark; Saunders, Graham C.","<i>cis</i>-Tetracarbonyl[(4-fluorophenyl)diphenylphosphine-<i>P</i>](piperidine-<i>N</i>)molybdenum(0)","Acta Crystallographica Section C","2001","57","6","678","679","10.1107/S0108270101003614","","","0.71073","MoKα","","0.0392","0.0331","","","","0.0675","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012008","13.0758","0.0002","18.3961","0.0003","13.0405","0.0002","90","","104.694","0.0012","90","","3034.22","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(hydridotris-{3-cyclohexylpyrazol-1-yl}borato)copper(II) bis(dichloromethane) solvate","","- C56 H84 B2 Cl4 Cu N12 -","- C56 H84 B2 Cl4 Cu N12 -","- C112 H168 B4 Cl8 Cu2 N24 -","2","0.5","BM1451","Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark","Bis[tris(3-cyclohexylpyrazol-1-yl)hydridoborato]copper(II) dichloromethane disolvate","Acta Crystallographica Section C","2001","57","6","711","713","10.1107/S0108270101005510","","","0.71073","MoKα","","0.0722","0.0578","","","","0.1726","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012009","14.2774","0.0007","6.6398","0.0004","10.2465","0.0006","90","","122.224","0.001","90","","821.74","0.08","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lutetium silicate","Dilutetium silicon pentaoxide","","- Lu2 O5 Si -","- Lu2 O5 Si -","- Lu16 O40 Si8 -","8","1","BR1287","Gustafsson, T.; Klintenberg, M.; Derenzo, S. E.; Weber, M. J.; Thomas, J. O.","Lu~2~SiO~5~ by single-crystal X-ray and neutron diffraction","Acta Crystallographica Section C","2001","57","6","668","669","10.1107/S0108270101005352","","neutron","1.207","neutron","","0.035","0.035","","0.078","","0.078","","","","","","2.91","","","","has coordinates,has Fobs","190524","2020-10-21","18:00:00",""
"2012010","9.8354","0.0001","7.5648","0.0001","31.1172","0.0004","90","","94.4628","0.0004","90","","2308.19","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-diphenyl-1,10-phenanthrolinetetracarbonylmolybdenum","","- C28 H16 Mo N2 O4 -","- C28 H16 Mo N2 O4 -","- C112 H64 Mo4 N8 O16 -","4","1","BR1317","Xie, Xiang-Jin; Jin, Xiang-Lin; Tang, Ka-Luo","A molybdenum complex with 4,7-diphenyl-1,10-phenanthroline","Acta Crystallographica Section C","2001","57","6","696","697","10.1107/S0108270101004164","","","0.71073","MoKα","","0.0381","0.0233","","","","0.0536","","","","","","0.931","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012011","5.0976","0.0003","5.0976","0.0003","8.3441","0.0004","90","","90","","120","","187.77","0.02","593","","593","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","0.166667","","Graetsch, Heribert A.","Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data","Acta Crystallographica, Section C","2001","57","","665","667","10.1107/S0108270101005133","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2012012","5.0976","0.0003","5.0976","0.0003","8.3441","0.0004","90","","90","","120","","187.77","0.02","593","","593","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O4 P -","- Al O4.00008 P -","- Al2 O8.00016 P2 -","2","0.166667","","Graetsch, Heribert A.","Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data","Acta Crystallographica, Section C","2001","57","","665","667","10.1107/S0108270101005133","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2012013","13.487","0.003","3.647","0.001","13.506","0.003","90","","102.33","0.03","90","","649","0.3","203","2","203","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","1,2,4,5-Tetrahydroxybenzene monohydrate","","- C6 H8 O5 -","- C6 H8 O5 -","- C24 H32 O20 -","4","1","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","0.71073","MoKα","","0.055","0.045","","","","0.149","","","","","","1.22","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2012014","7.387","0.003","6.06","0.001","12.198","0.002","90","","105.78","0.02","90","","525.5","0.3","163","2","163","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)","","- C12 H10 O8 -","- C12 H10 O8 -","- C24 H20 O16 -","2","0.5","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","1.54178","CuKα","","0.038","0.035","","","","0.114","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012015","7.382","0.001","6.065","0.001","12.197","0.001","90","","105.778","0.001","90","","525.51","0.12","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)","","- C12 H10 O8 -","- C12 H10 O8 -","- C24 H20 O16 -","2","0.5","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","0.354","synchrotron","","0.036","0.031","","","","0.113","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012016","7.2603","0.0016","10.777","0.002","15.197","0.003","73.544","0.004","77.338","0.004","83.827","0.004","1111.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(dimethylquinoxalineH)2CuBr3","Bis(dimethylquinoxalinium)tribrocuprate(I)","","- C20 H22 Br3 Cu N4 -","- C20 H22 Br3 Cu N4 -","- C40 H44 Br6 Cu2 N8 -","2","1","DA1178","Willett, Roger D.; Twamley, Brendan","Bis(2,3-dimethylquinoxalinium) tribromocuprate(I)","Acta Crystallographica Section C","2001","57","6","706","708","10.1107/S0108270101005017","","","0.71073","MoKα","","0.0537","0.0307","","","","0.0718","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012017","9.2884","0.0008","6.7527","0.0006","10.6582","0.0009","90","","96.5141","0.0014","90","","664.19","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Difluoro-(E)-5-(2-iodovinyl)-1-(2'-deoxy-β-D-ribofuranosyl)benzene","","- C13 H13 F2 I O3 -","- C13 H13 F2 I O3 -","- C26 H26 F4 I2 O6 -","2","1","DA1180","Mark, Brian L.; Parrish, Jonathan C.; Wang, Zhi-Xian; Wiebe, Leonard I.; Knaus, Edward E.; James, Michael N. G.","(<i>E</i>)-1-(2'-Deoxy-β-<small>D</small>-ribofuranosyl)-2,4-difluoro-5-(2-iodovinyl)benzene","Acta Crystallographica Section C","2001","57","6","758","760","10.1107/S0108270101005029","","","0.71073","MoKα","","0.0394","0.0372","","","","0.0953","","","","","","1.021","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012018","12.487","0.002","7.5477","0.0013","17.513","0.003","90","","105.22","0.02","90","","1592.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,7-bis[(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole","","- C20 H10 N4 S -","- C20 H10 N4 S -","- C80 H40 N16 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1282","0.0682","","","","0.2092","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012019","5.1097","0.0003","24.4522","0.0016","17.8489","0.0013","90","","92.281","0.005","90","","2228.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4,7-bis[(4-pyridinium)ethynyl]-2,1,3-benzothiadiazole diperchlorate","","- C20 H12 Cl2 N4 O8 S -","- C20 H12 Cl2 N4 O8 S -","- C80 H48 Cl8 N16 O32 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1236","0.0606","","","","0.2045","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012020","5.604","0.009","25.9","0.05","8.427","0.012","90","","96.4","0.14","90","","1216","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aminomalononitrile p-toluenesulfonate","Ammonio-malononitrile p-toluenesulfonate","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","DE1169","Steiner, Thomas","The C—H···O hydrogen bond in (dicyanomethyl)ammonium <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","2001","57","6","775","776","10.1107/S0108270101005789","","","0.71073","MoKα","","0.0604","0.0451","","","","0.126","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012021","8.538","0.002","14.114","0.002","15.648","0.004","106.04","0.014","93.59","0.02","104.964","0.016","1732.5","0.7","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 Cl3 Fe I N4 O4 -","- C33 H33 Cl3 Fe I N4 O4 -","- C66 H66 Cl6 Fe2 I2 N8 O8 -","2","1","FG1624","Ohgo, Yoshiki; Neya, Saburo; Funasaki, Noriaki; Nakamura, Mikio","(12,17-Diethoxycarbonyl-2,3,6,7,11,18-hexamethylcorrphycenato-κ^4^<i>N</i>)iodoiron(III) chloroform solvate","Acta Crystallographica Section C","2001","57","6","694","695","10.1107/S0108270101003985","","","0.71069","MoKα","","0.084","0.0479","","","","0.15","","","","","","1.089","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012022","29.2399","0.0004","12.5188","0.0002","23.8447","0.0004","90","","119.649","0.0006","90","","7585.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H48 Cl2 N2 O2 Zr -","- C39.5 H47 Cl2 N2 O2 Zr -","- C316 H376 Cl16 N16 O16 Zr8 -","8","1","GD1128","Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.","Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate","Acta Crystallographica Section C","2001","57","6","674","675","10.1107/S0108270101003559","","","0.71073","MoKα","","0.1104","0.0502","","","","0.1059","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012023","10.899","0.005","12.211","0.004","7.775","0.003","102.23","0.02","92.21","0.03","96.64","0.03","1002.4","0.7","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 N O3 S -","- C22 H17 Cl2 N O3 S -","- C44 H34 Cl4 N2 O6 S2 -","2","1","GD1131","Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.","(<i>Z</i>)-7-Chloro-3-[(3-chlorophenyl)methylidene]-4-<i>p</i>-tosyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazine","Acta Crystallographica Section C","2001","57","6","740","741","10.1107/S0108270101004036","","","0.7107","MoKα","","0.0935","0.0491","","","","0.1178","","","","","","1.089","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012024","11.525","0.005","14.465","0.006","9.761","0.003","90","","92.82","0.04","90","","1625.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenylazo-2-(4-methoxyphenylamino)-2-penten-4-one","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","GD1141","Kettmann, Viktor; Lokaj, Jan; Petr Šimunek; Vladimír Macháček","4-(4-Methoxyphenylamino)-3-phenylazo-3-penten-2-one","Acta Crystallographica Section C","2001","57","6","737","739","10.1107/S0108270101004851","","","0.71073","MoKα","","0.153","0.0695","","","","0.1394","","","","","","0.932","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012025","7.153","0.003","8.961","0.004","13.156","0.007","92.69","0.05","106.83","0.05","96.79","0.04","798.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","GD1142","Lokaj, Jan; Kettmann, Viktor; Marchalin, Stefan; Sikoraiova, Jana","<i>cis</i>-6-Phenyl-4b<i>H</i>,6<i>H</i>,11<i>H</i>,13<i>H</i>-isoindolo[1,2-<i>c</i>]benz[2,4]oxazepin-13-one","Acta Crystallographica Section C","2001","57","6","735","736","10.1107/S0108270101003870","","","0.71073","MoKα","","0.061","0.047","","","","0.133","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012026","11.414","0.003","10.769","0.003","17.863","0.005","90","","93.303","0.006","90","","2192","1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato) tantalum] dichloromethane hemisolvate","","- C20.5 H59 B18 Cl N8 O Ta2 -","- C20.5 H59 B18 Cl N8 O Ta2 -","- C41 H118 B36 Cl2 N16 O2 Ta4 -","2","1","GD1146","Goeta, Andrès E.; Hughes, Andrew K.; Malget, John M.","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(<i>N</i>,<i>N</i>-dimethylacetamidinato)tantalum] dichloromethane hemisolvate","Acta Crystallographica Section C","2001","57","6","702","703","10.1107/S010827010100436X","","","0.71073","MoKα","","0.048","0.035","","","","0.095","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012027","7.108","0.001","17.598","0.004","7.246","0.001","90","","90.33","0.03","90","","906.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-nitraminopyridinium nitrate","","- C6 H8 N4 O5 -","- C6 H8 N4 O5 -","- C24 H32 N16 O20 -","4","1","GD1147","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate","Acta Crystallographica Section C","2001","57","6","754","757","10.1107/S0108270101004784","","","0.71073","MoKα","","0.075","0.043","","","","0.141","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012028","11.824","0.002","8.138","0.002","20.125","0.004","90","","97.36","0.03","90","","1920.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitraminopyridinium methanesulphonate","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C48 H72 N24 O40 S8 -","8","2","GD1147","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate","Acta Crystallographica Section C","2001","57","6","754","757","10.1107/S0108270101004784","","","0.71073","MoKα","","0.038","0.033","","","","0.099","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012029","12.4551","0.0014","7.9901","0.0008","13.035","0.0019","90","","105.983","0.005","90","","1247.1","0.3","150","2","150","2","","","","","","","","5","I 1 2 1","I 2y","5","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 150 K)","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C52 H48 Cl4 Ni2 P4 -","2","0.5","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.084","0.05","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012030","12.5688","0.0015","8.0208","0.0008","13.0871","0.0009","90","","105.531","0.004","90","","1271.2","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 293 K)","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C52 H48 Cl4 Ni2 P4 -","2","0.5","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.132","0.049","","","","0.1","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012031","11.2779","0.0003","13.3386","0.0004","15.8739","0.0005","90","","98.7953","0.0016","90","","2359.85","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) - form A at 150 K","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C104 H96 Cl8 Ni4 P8 -","4","1","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.059","0.042","","","","0.117","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012032","12.7815","0.0007","7.701","0.0007","26.271","0.002","90","","96.418","0.005","90","","2569.7","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triaqua-bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2- yl)glycylglycinato]calcium","","- C18 H28 Ca N12 O13 -","- C18 H28 Ca N12 O13 -","- C72 H112 Ca4 N48 O52 -","4","0.5","GG1048","Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Cannon, Debbie; Quesada, Antonio; Glidewell, Christopher","Bis[<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]triaquacalcium: coordination polymer chains linked by hydrogen bonds","Acta Crystallographica Section C","2001","57","6","680","682","10.1107/S0108270101004267","","","0.71073","MoKα","","0.096","0.049","","","","0.135","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012033","7.6037","0.0003","33.9046","0.0014","11.9404","0.0006","90","","93.058","0.002","90","","3073.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C128 H64 N16 O32 S16 -","8","2","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of <i>N</i>,<i>N</i>'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.249","0.061","","","","0.115","","","","","","0.86","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012034","14.3782","0.0013","16.0723","0.0014","7.791","0.0007","90","","93.256","0.002","90","","1797.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of <i>N</i>,<i>N</i>'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.096","0.043","","","","0.079","","","","","","1.005","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012035","14.8129","0.0011","15.928","0.0013","7.6616","0.0006","90","","91.671","0.002","90","","1806.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of <i>N</i>,<i>N</i>'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.14","0.062","","","","0.184","","","","","","0.92","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012036","9.5208","0.0001","9.5208","0.0001","37.5113","0.0005","90","","90","","120","","2944.69","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","pentarubidium heptacosamolybdenum hentriacontaselenium","","- Mo27 Rb5 Se31 -","- Mo27 Rb5 Se31 -","- Mo54 Rb10 Se62 -","2","0.166667","JZ1447","Picard, S.; Gougeon, P.; Potel, M.","Rb~5~Mo~27~Se~31~, a novel ternary reduced molybdenum selenide containing Mo~12~ and Mo~15~ clusters","Acta Crystallographica Section C","2001","57","6","663","664","10.1107/S0108270101003389","","","0.71069","MoKα","","0.127","0.047","","","","0.12","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012037","13.009","0.003","9.333","0.005","15.162","0.005","90","","113.24","0.02","90","","1691.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn(vanpa)(benzoato)]~2~","bis(μ-benzoato-O:O')-bis(2-(6-methoxy)salicylideneamino -3-propanolato-N,O'',O''':O''')-dimanganese(III)","","- C36 H36 Mn2 N2 O10 -","- C36 H36 Mn2 N2 O10 -","- C72 H72 Mn4 N4 O20 -","2","0.5","JZ1457","Zhang, Cungen; Janiak, Christoph","A carboxylato-supported alkoxo-bridged dimanganese(III) complex: bis(μ-benzoato-<i>O</i>:<i>O</i>')bis[3-(3-methoxysalicylideneamino)propanolato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']dimanganese(III)","Acta Crystallographica Section C","2001","57","6","719","720","10.1107/S0108270101005790","","","0.71073","MoKα","","0.0805","0.0466","","","","0.116","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012038","9.37","0.0004","13.033","0.0005","17.521","0.0006","90","","90","","90","","2139.65","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Biphenylylurea","4-Biphenylylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","JZ1458","George, Sumod; Nangia, Ashwini; Lynch, Vincent M.","<i>N</i>-(4-Biphenylyl)urea","Acta Crystallographica Section C","2001","57","6","777","778","10.1107/S0108270101005807","","","0.71073","MoKα","","0.0543","0.0404","","0.1044","","0.0965","","","1.015","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012039","12.875","0.0002","6.996","0.0001","16.448","0.0003","90","","111.223","0.0008","90","","1381.05","0.04","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-pyrrolidine-N:N)bis(dibromoboron)","","- C8 H16 B2 Br4 N2 -","- C8 H16 B2 Br4 N2 -","- C32 H64 B8 Br16 N8 -","4","1","LN1117","Abu Ali, Hijazi; Goldberg, Israel; Srebnik, Morris","Bis(μ-pyrrolidine-<i>N</i>:<i>N</i>)bis(dibromoboron), [(Br)~2~B(pyrrolidine)~2~B(Br)~2~]","Acta Crystallographica Section C","2001","57","6","770","771","10.1107/S0108270101005388","","","0.7107","MoKα","","0.037","0.029","","","","0.069","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012040","9.9502","0.0002","10.368","0.0002","12.4995","0.0002","94.692","0.001","94.319","0.001","98.505","0.001","1266.03","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-4-(4-N,N-diethylaminophenyl)-2-(4'-hydroxyphenyl)-7- (pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","","- C29 H30 N6 O -","- C29 H30 N6 O -","- C58 H60 N12 O2 -","2","1","NA1495","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","5-Amino-4-(4-diethylaminophenyl)-2-(4-hydroxyphenyl)-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","2001","57","6","726","727","10.1107/S010827010100422X","","","0.71073","MoKα","","0.0631","0.0549","","","","0.1698","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012041","19.27","0.004","7.2111","0.0017","10.025","0.005","90","","90","","90","","1393.1","0.8","293","2","","","","","","","","","","5","I m a 2","I 2 -2a","46","","catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']","","- C2 H8 Br2 N2 Zn -","- C2 H8 Br2 N2 Zn -","- C16 H64 Br16 N16 Zn8 -","8","1","NA1500","Pritchard, Robin G.; Eaton, Nicola; McDonald, Stephen; Strickland, Phillip","<i>catena</i>-Poly[dibromozinc(II)-μ-ethylenediamine-<i>N</i>:<i>N</i>']: resolution of structural anomalies resulting from the interpretation of vibrational spectra","Acta Crystallographica Section C","2001","57","6","672","673","10.1107/S0108270101000567","","","1.54178","CuKα","","","0.053","","","","0.151","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012042","8.238","0.008","7.498","0.006","15.016","0.008","90","","92.81","0.05","90","","926.4","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Potassium 4-(4-bis(hydroxyethyl)amino-phenylazo)benzoate dihydrate","","- C17 H22 K N3 O6 -","- C17 H22 K N3 O6 -","- C34 H44 K2 N6 O12 -","2","1","NA1508","Centore, Roberto; Tuzi, Angela","Polynuclear coordination compounds of alkali metal ions with organic chromophores","Acta Crystallographica Section C","2001","57","6","698","701","10.1107/S0108270101004231","","","0.71069","MoKα","","0.0626","0.0391","","","","0.1035","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012043","9.023","0.003","11.818","0.003","19.4","0.005","99.31","0.04","99.41","0.04","93.36","0.02","2006.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Sodium 4-({4-[N,N-bis(2-hydroxyethyl)amino]phenyl}diazenyl)benzoate 3.5-hydrate","","- C17 H25 N3 Na O7.5 -","- C17 H25 N3 Na O7.5 -","- C68 H100 N12 Na4 O30 -","4","2","NA1508","Centore, Roberto; Tuzi, Angela","Polynuclear coordination compounds of alkali metal ions with organic chromophores","Acta Crystallographica Section C","2001","57","6","698","701","10.1107/S0108270101004231","","","0.71069","MoKα","","0.1215","0.0689","","","","0.2091","","","","","","0.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012044","12.661","0.001","6.033","0.0008","18.494","0.0002","90","","96.19","0.01","90","","1404.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl3 O Te -","- C11 H11 Cl3 O Te -","- C44 H44 Cl12 O4 Te4 -","4","1","NA1512","Zukerman-Schpector, J.; Haiduc, Ionel; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I.","Acetonyldichloro[(<i>Z</i>)-2-chloro-2-phenylvinyl]tellurium(IV), helical chains of metal complexes","Acta Crystallographica Section C","2001","57","6","749","750","10.1107/S0108270101004656","","","0.71073","MoKα","","0.0411","0.0252","","","","0.0714","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012045","13.51","0.003","18.014","0.007","16.795","0.005","90","","90","","90","","4087","2","173","1","173","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","","- C26 H16 S4 -","- C26 H16 S4 -","- C208 H128 S32 -","8","1","NA1515","Linden, Anthony; Gebert, Andreas; Heimgartner, Heinz","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","Acta Crystallographica Section C","2001","57","6","764","766","10.1107/S0108270101005248","","","0.71069","MoKα","","0.0931","0.0422","","","","0.1162","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012046","9.655","0.0005","20.8077","0.0008","11.0793","0.0005","90","","102.388","0.005","90","","2173.99","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl β-carboline-3-carboxylate.","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","SK1458","Kubicki, Maciej; Codding, Penelope W.","Form II of monoclinic methyl β-carboline-3-carboxylate","Acta Crystallographica Section C","2001","57","6","728","729","10.1107/S0108270101003171","","","1.54178","CuKα","","0.0492","0.0391","","","","0.0988","","","","","","1.219","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012047","17.9277","0.001","15.2675","0.0008","7.662","0.003","90","","96.39","0.01","90","","2084.1","0.8","203","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N-Dimethylcarbamato-bis(η^2^-cyclooctene)iridium(I)","","- C19 H34 Ir N S2 -","- C19 H34 Ir N S2 -","- C76 H136 Ir4 N4 S8 -","4","0.5","SK1462","Dahlenburg, Lutz; Kühnlein, Michael","Bis(η^2^-cyclooctene)(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-<i>S</i>,<i>S</i>')iridium(I), the first example of a tetracoordinate Ir^I^ complex containing two π-bonded monoolefin ligands","Acta Crystallographica Section C","2001","57","6","709","710","10.1107/S0108270101004954","","","0.71073","MoKα","","0.0267","0.0192","","","","0.0526","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012048","11.1819","0.0002","12.0934","0.0002","17.286","0.0002","107.693","0.001","96.349","0.001","109.896","0.001","2033.41","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 N2 Ni O4 P2 S4 -","- C40 H36 N2 Ni O4 P2 S4 -","- C80 H72 N4 Ni2 O8 P4 S8 -","2","1","SK1464","Hao, Qingli; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin","Bis(<i>O</i>,<i>O</i>'-di-<i>p</i>-tolyldithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section C","2001","57","6","717","718","10.1107/S0108270101005522","","","0.71073","MoKα","","0.0663","0.0482","","","","0.1198","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012049","10.2842","0.0003","14.9172","0.0004","13.0621","0.0004","90","","102.522","0.0011","90","","1956.21","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane )nickel(II)] diperchlorate","","- C28 H56 Cl2 N8 Ni2 O14 -","- C28 H56 Cl2 N8 Ni2 O14 -","- C56 H112 Cl4 N16 Ni4 O28 -","2","1","SK1465","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","μ-1,4-Benzenedicarboxylato-bis[<i>trans</i>-aqua(1,4,8,11-tetraazacyclotetradecane)nickel(II)] diperchlorate forms a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2001","57","6","683","686","10.1107/S0108270101003857","","","0.71073","MoKα","","0.075","0.041","","","","0.097","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012050","23.822","0.0003","16.0839","0.0003","15.6819","0.0003","90","","123.571","0.001","90","","5006.31","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Fe N3 O3 -","- C30 H24 Fe N3 O3 -","- C240 H192 Fe8 N24 O24 -","8","1","SK1467","Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes","Acta Crystallographica Section C","2001","57","6","714","716","10.1107/S0108270101005534","","","0.71073","MoKα","","0.088","0.0531","","","","0.1421","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012051","7.5388","0.0002","9.1091","0.0001","24.8514","0.0006","90","","90","","90","","1706.59","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu N2 O3 -","- C20 H18 Cu N2 O3 -","- C80 H72 Cu4 N8 O12 -","4","0.5","SK1467","Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes","Acta Crystallographica Section C","2001","57","6","714","716","10.1107/S0108270101005534","","","0.71073","MoKα","","0.1154","0.0884","","","","0.2393","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012052","6.088","0.002","11.9486","0.0015","15.022","0.012","90","","107.54","0.04","90","","1041.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","betainium trifluoroacetate","N,N,N-trimethylglycinium-trifluoroacetate","","- C7 H12 F3 N O4 -","- C7 H12 F3 N O4 -","- C28 H48 F12 N4 O16 -","4","1","SK1468","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Betainium trifluoroacetate","Acta Crystallographica Section C","2001","57","6","761","763","10.1107/S0108270101004966","","","0.71073","MoKα","","0.0612","0.0389","","","","0.1239","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012053","11.39","0.0002","21.2256","0.0006","11.7248","0.0003","90","","118.214","0.0012","90","","2497.79","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1)","","- C28 H32 Fe2 N2 O4 -","- C28 H32 Fe2 N2 O4 -","- C112 H128 Fe8 N8 O16 -","4","1","SK1469","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1): sheets built from O—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2001","57","6","687","689","10.1107/S0108270101004978","","","0.71073","MoKα","","0.0944","0.0443","","","","0.1037","","","","","","0.985","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012054","7.5083","0.0002","11.614","0.0003","12.6644","0.0003","93.862","0.001","98.759","0.001","94.527","0.001","1084.53","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C52 H46 N2 O4 -","2","1","SK1471","Bolte, Michael","Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","Acta Crystallographica Section C","2001","57","6","772","774","10.1107/S0108270101005546","","","0.71073","MoKα","","0.064","0.053","","","","0.141","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012055","7.5178","0.0001","10.0669","0.0002","14.6364","0.0002","73.534","0.001","80.826","0.001","81.478","0.001","1042.46","0.03","163","","163","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C52 H46 N2 O4 -","2","1","SK1471","Bolte, Michael","Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","Acta Crystallographica Section C","2001","57","6","772","774","10.1107/S0108270101005546","","","0.71073","MoKα","","0.044","0.036","","","","0.095","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012056","23.525","0.007","8.2344","0.0008","15.841","0.005","90","","127.996","0.014","90","","2418.2","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","dibromobis(hexamethylphosphoric triamide)cobalt(II)","","- C12 H36 Br2 Co N6 O2 P2 -","- C12 H36 Br2 Co N6 O2 P2 -","- C48 H144 Br8 Co4 N24 O8 P8 -","4","0.5","SK1472","Suzuki, Honoh; Yuriko, Abe; Ishiguro, Shin-ichi","Complex of cobalt(II) bromide with hexamethylphosphoric triamide","Acta Crystallographica Section C","2001","57","6","721","722","10.1107/S0108270101005960","","","0.71073","MoKα","","0.1066","0.0553","","","","0.2121","","","","","","1.256","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012057","8.45","0.001","11.665","0.002","14.93","0.003","75.44","0.02","76.65","0.02","86.44","0.02","1385.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-[(2-hydroxyethoxy)methyl]-6-methyl-3H-imidazol[1,2-a]purin-9(5H)-one","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","2","SX1107","Suwińska, Kinga; Golankiewicz, Bożenna; Zielenkiewicz, Wojciech","Water molecules in the crystal structure of tricyclic acyclovir","Acta Crystallographica Section C","2001","57","6","767","769","10.1107/S0108270101005364","","","0.71073","MoKα","","0.145","0.062","","","","0.155","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012058","12.988","0.001","21.823","0.002","23.542","0.004","90","","90.84","0.01","90","","6672","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-poly[europium(III)-tri-μ-4-methylbenzoato-O:O,O';O:O,O';O,O':O']","","- C24 H21 Eu O6 -","- C24 H21 Eu O6 -","- C288 H252 Eu12 O72 -","12","3","VJ1129","Jin, Qiong-Hua; Li, Xia; Zou, Ying-Quan; Yu, Kai-Bei","<i>catena</i>-Poly[europium-tri-μ-4-methylbenzoato]","Acta Crystallographica Section C","2001","57","6","676","677","10.1107/S0108270101003560","","","0.71073","MoKα","","","0.0305","","","","0.0597","","","","","","0.896","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2012059","12.554","0.0003","7.4686","0.0002","8.2628","0.0003","90","","100.272","0.0013","90","","762.31","0.04","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.028","0.026","","","","0.076","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012060","12.3589","0.0003","7.4464","0.0002","8.2199","0.0002","90","","99.8369","0.0014","90","","745.35","0.03","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.023","0.022","","","","0.057","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012061","12.297","0.003","7.435","0.001","8.197","0.002","90","","99.72","0.01","90","","738.7","0.3","15","1","15","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.024","0.024","","","","0.063","","","","","","1.23","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012062","10.378","0.002","9.725","0.002","12.699","0.003","90","","99.195","0.007","90","","1265.2","0.5","110","0.2","110","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-phenyl-1,2-dicarba-closo-dodecaborane(12)","3-phenyl-1,2-dicarba-closo-dodecaborane(12)","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AV1073","Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.","Two isostructural carboranes: 3-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) and 1-phenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2001","57","7","827","829","10.1107/S0108270101005455","","","0.71073","MoKα","","0.071","0.047","","","","0.142","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012063","10.35","0.002","9.449","0.002","13.763","0.003","90","","106.07","0.03","90","","1293.4","0.5","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-phenyl-1,7-dicarba-closo-dodecaborane(12)","1-phenyl-1,7-dicarba-closo-dodecaborane(12)","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AV1073","Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.","Two isostructural carboranes: 3-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) and 1-phenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2001","57","7","827","829","10.1107/S0108270101005455","","","0.71073","MoKα","","0.126","0.049","","","","0.115","","","","","","0.879","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012064","14.232","0.012","14.232","0.012","14.232","0.012","90","","90","","90","","2883","4","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","tris-tert.-butyl-phosphine sulfide","","- C12 H27 P S -","- C12 H27 P S -","- C96 H216 P8 S8 -","8","0.333333","BJ1020","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(<i>tert</i>-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents","Acta Crystallographica Section C","2001","57","7","835","837","10.1107/S0108270101005959","","","0.71073","MoKα","","0.072","0.063","","","","0.136","","","","","","1.329","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012065","3.828","0.0005","12.7738","0.0016","21.203","0.003","90","","91.118","0.014","90","","1036.6","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N4 O8 -","- C18 H12 Cl2 N4 O8 -","- C36 H24 Cl4 N8 O16 -","2","0.5","BK1601","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine","Acta Crystallographica Section C","2001","57","7","876","879","10.1107/S0108270101007016","","","0.71073","MoKα","","0.077","0.057","","0.074","","0.063","","","1.38","","","1.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012066","10.293","0.004","7.276","0.002","13.818","0.006","90","","105.17","0.03","90","","998.8","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N4 O8 -","- C18 H12 Cl2 N4 O8 -","- C36 H24 Cl4 N8 O16 -","2","0.5","BK1601","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine","Acta Crystallographica Section C","2001","57","7","876","879","10.1107/S0108270101007016","","","0.71073","MoKα","","0.072","0.051","","0.07","","0.061","","","1.33","","","1.33","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012067","11.7643","0.0005","8.2154","0.0004","16.5207","0.0006","90","","104.1","0.02","90","","1548.59","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2H-pyrrolium trifluoromethanesulfonate","","- C13 H15 F3 N2 O4 S -","- C13 H15 F3 N2 O4 S -","- C52 H60 F12 N8 O16 S4 -","4","1","BM1441","Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain","(<i>E</i>)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2<i>H</i>-pyrrolium trifluoromethanesulfonate","Acta Crystallographica Section C","2001","57","7","815","816","10.1107/S0108270100020448","","","0.71073","MoKα","","","0.044","","","","0.0544","","","","","","1.0257","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012068","8.6689","0.0008","17.6441","0.0016","9.6101","0.0008","90","","93.283","0.003","90","","1467.5","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-pyridone 6/5 hydrate","","- C5 H7.4 N O2.2 -","- C5 H7.4 N O2.2 -","- C50 H74 N10 O22 -","10","5","BM1453","Jones, Peter G.","A simple compound with an unexpectedly complex structure: 4-pyridone 6/5-hydrate","Acta Crystallographica Section C","2001","57","7","880","882","10.1107/S0108270101008228","","","0.71073","MoKα","","0.0514","0.0344","","","","0.0899","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012069","10.6601","0.0005","10.5515","0.0005","14.5604","0.0006","90","","90","","90","","1637.75","0.13","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,1'-bis(nido-decaboranyl)","","- B20 H26 -","- B20 H26 -","- B80 H104 -","4","0.5","BR1315","Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat","Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(<i>nido</i>-decaboranyl)","Acta Crystallographica Section C","2001","57","7","779","780","10.1107/S0108270101003407","","","0.689","synchrotron","","0.0781","0.0558","","","","0.1503","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012070","30.3799","0.0009","11.2402","0.0003","11.5366","0.0003","90","","105.961","0.001","90","","3787.6","0.18","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 N6 Ni2 O16.5 V4 -","- C30 H24 N6 Ni2 O16.5 V4 -","- C120 H96 N24 Ni8 O66 V16 -","4","0.5","BR1320","Yang, Lan; Hu, Changwen; Naruke, Haruo; Yamase, Toshihiro","A three-dimensional inorganic/organic hybrid material, [Ni~2~(4,4'-bipy)~3~(H~2~O)~2~V~4~O~12~]·2.5H~2~O","Acta Crystallographica Section C","2001","57","7","799","801","10.1107/S0108270101006229","","","0.7107","MoKα","","","0.0422","","","","0.1141","","","","","","1.399","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012071","7.8249","0.0008","7.493","0.0007","16.9248","0.0017","90","","90","","105.041","0.011","958.34","0.17","298","","298","","","","","","","","","3","P 1 1 21","P 2c","4","","strontium magnesium tetrafluoride","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","6","BR1328","Ishizawa, Nobuo; Suda, Katsumi; Etschmann, Barbara E.; Oya, Takashi; Kodama, Nobuhiro","Monoclinic superstructure of SrMgF~4~ with perovskite-type slabs","Acta Crystallographica Section C","2001","57","7","784","786","10.1107/S0108270101006667","","","0.71073","MoKα","","0.048","0.044","","0.039","","0.037","","","3.203","","","3.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012072","9.9329","0.0012","15.8778","0.0011","11.8793","0.001","90","","112.2","0.003","90","","1734.6","0.3","301","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 Ni O2 -","- C19 H20 N2 Ni O2 -","- C76 H80 N8 Ni4 O8 -","4","1","BR1331","Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [<i>N</i>,<i>N</i>'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","2001","57","7","812","814","10.1107/S0108270101008150","","","1.5418","CuKα","","","0.036","","","","0.106","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012073","9.7452","0.0012","17.2276","0.0014","11.3606","0.001","90","","112.981","0.003","90","","1755.9","0.3","301","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu N2 O2 -","- C19 H20 Cu N2 O2 -","- C76 H80 Cu4 N8 O8 -","4","1","BR1331","Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [<i>N</i>,<i>N</i>'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","2001","57","7","812","814","10.1107/S0108270101008150","","","1.5418","CuKα","","","0.038","","","","0.106","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012074","13.318","0.001","15.217","0.002","17.965","0.001","90","","90","","90","","3640.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","azaadamantanone","2,9-Bis(3-nitrophenyl)-1-azatricyclo[3.3.1.1^3,7^]decan-4-one","","- C21 H19 N3 O5 -","- C21 H19 N3 O5 -","- C168 H152 N24 O40 -","8","1","DA1181","Jiménez-Cruz, Federico; Cetina-Rosado, Raúl; Hernández-Ortega, Simón; Alfredo Toscano, Rubén; Ríos-Olivares, Héctor","2,9-Bis(3-nitrophenyl)-1-azaadamantan-4-one","Acta Crystallographica Section C","2001","57","7","868","869","10.1107/S0108270101007612","","","0.71073","MoKα","","0.098","0.058","","","","0.133","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012075","16.997","0.002","8.441","0.001","17.763","0.001","90","","92.57","0.01","90","","2545.9","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Amarisolide Monohydrate","2β-O-β-D-glucopyranosyl neo-cleroda-2,13(16),14-trien-15,16-epoxy- 18,19-olide","","- C26 H38 O10 -","- C26 H38 O10 -","- C104 H152 O40 -","4","1","DA1187","Toscano, Rubén A.; Maldonado, Emma; Ortega, Alfredo; Cárdenas, Jorge","Amarisolide monohydrate, a 2-(β-glucosyl)neoclerodane","Acta Crystallographica Section C","2001","57","7","846","847","10.1107/S0108270101006217","","","0.71073","MoKα","","0.109","0.0616","","","","0.1434","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012076","4.86","0.006","7.603","0.01","13.242","0.002","85.47","0.01","84.06","0.02","75.19","0.01","469.8","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","lactosyl acetamide","β-1-N-Acetamido-(4-O-β-D-galactopyranosyl)-D-glucopyranose dihydrate","","- C14 H29 N O13 -","- C14 H29 N O13 -","- C14 H29 N O13 -","1","1","DE1160","Lakshmanan, Thiruneelakantan; Sriram, Desikan; Loganathan, Duraikannu","β-1-Acetamido-4-<i>O</i>-β-<small>D</small>-galactopyranosyl-<small>D</small>-glucopyranose dihydrate","Acta Crystallographica Section C","2001","57","7","825","826","10.1107/S0108270101004796","","","0.71073","MoKα","","0.0282","0.0269","","","","0.0719","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012077","10.046","0.0008","12.4964","0.001","12.7901","0.001","92.488","0.002","110.247","0.002","99.408","0.002","1477.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane nickel(II) 1,2-phenylenebis(oxamato)cuprate(II) dihydrate","","- C26 H44 N6 Ni2 O8 -","- C26 H41 N6 Ni2 O8 -","- C52 H82 N12 Ni4 O16 -","2","1","DE1170","Gao, En-Qing; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","A novel hydrogen-bonded microporous framework constructed from two different metal complexes","Acta Crystallographica Section C","2001","57","7","807","809","10.1107/S0108270101006849","","","0.71073","MoKα","","0.0398","0.0322","","","","0.0913","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012078","6.75","0.001","10.839","0.001","14.858","0.001","80.537","0.002","88.717","0.001","73.409","0.002","1027.28","0.19","110","2","110","2","","","","","","","","7","P -1","-P 1","2","compound 1","η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl","","- C19 H18 B2 Cl2 Cr N2 O3 -","- C19 H18 B2 Cl2 Cr N2 O3 -","- C38 H36 B4 Cl4 Cr2 N4 O6 -","2","1","FG1625","Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah","Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)","Acta Crystallographica Section C","2001","57","7","796","798","10.1107/S0108270101006187","","","0.71073","MoKα","","0.0416","0.0311","","","","0.0763","","","","","","0.816","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012079","25.666","0.001","7.029","0.0003","25.366","0.001","90","","112.907","0.002","90","","4215.3","0.3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","compound 2","η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl","","- C19 H18 B2 Cl2 Cr N2 O3 -","- C19 H18 B2 Cl2 Cr N2 O3 -","- C152 H144 B16 Cl16 Cr8 N16 O24 -","8","1","FG1625","Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah","Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)","Acta Crystallographica Section C","2001","57","7","796","798","10.1107/S0108270101006187","","","0.71073","MoKα","","0.0438","0.0341","","","","0.087","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012080","8.5979","0.0009","10.109","0.001","18.9828","0.0018","90","","90","","90","","1649.9","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","FG1630","Clark, Robert W.; Guzei, Ilia A.; Ivanov, Sergei A.; Burke, Steven D.; Lambert, William T.","The lack of <i>C</i>2 molecular symmetry in (1<i>R</i>,2<i>R</i>,3<i>S</i>,6<i>S</i>)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol","Acta Crystallographica Section C","2001","57","7","844","845","10.1107/S0108270101006199","","","0.71073","MoKα","","0.0393","0.0329","","","","0.079","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012081","6.3867","0.0005","20.9583","0.0017","7.1413","0.0006","90","","100.272","0.005","90","","940.57","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","perfluoronaphthalene-tolan","Octafluoronaphthalene-diphenylacetylene (1:1)","","- C24 H10 F8 -","- C24 H10 F8 -","- C48 H20 F16 -","2","0.5","FG1634","Collings, Jonathan C.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Octafluoronaphthalene‒diphenylacetylene (1/1)","Acta Crystallographica Section C","2001","57","7","870","872","10.1107/S0108270101007557","","","0.71073","MoKα","","0.047","0.038","","","","0.089","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012082","8.841","0.003","6.283","0.003","14.646","0.004","90","","103.45","0.02","90","","791.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","gibberic acid monohydrate","1,7-dimethyl-8-oxo-4bα,7α-gibba-1,3,4a(10a)-triene-10β-carboxylic acid monohydrate","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","FR1327","Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Gibberic acid: hydrogen-bonding pattern of the monohydrate of a non-racemic tetracyclic δ-keto acid derivative of gibberellin A~3~","Acta Crystallographica Section C","2001","57","7","841","843","10.1107/S0108270101006059","","","0.71073","MoKα","","0.068","0.041","","","","0.084","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012083","8.2527","0.0013","7.3864","0.0012","8.5085","0.0014","90","","108.947","0.002","90","","490.56","0.14","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Potassium bis(carbonato-O,O')(ethylenediamine-N,N')cobaltate(III) monohydrate","","- C4 H10 Co K N2 O7 -","- C4 H10 Co K N2 O7 -","- C8 H20 Co2 K2 N4 O14 -","2","0.5","FR1331","Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.","Potassium bis(carbonato-<i>O</i>,<i>O</i>')(ethylenediamine-<i>N</i>,<i>N</i>')cobaltate(III) monohydrate at 173K","Acta Crystallographica Section C","2001","57","7","802","803","10.1107/S0108270101006692","","","0.71073","MoKα","","0.0221","0.0208","","","","0.0573","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012084","9.45","0.002","13.689","0.003","6.439","0.001","90","","103.35","0.03","90","","810.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(pyrid-4-yl)pyrimidine","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","GG1041","Daniel E. Lynch; Ian McClenaghan","2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid","Acta Crystallographica Section C","2001","57","7","830","832","10.1107/S0108270101005819","","","0.71073","MoKα","","0.065","0.047","","","","0.132","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012085","7.881","0.002","26.354","0.005","7.297","0.002","90","","102.04","0.03","90","","1482.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(pyrid-4-yl)pyrimidine 4-aminobenzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C64 H60 N20 O8 -","4","1","GG1041","Daniel E. Lynch; Ian McClenaghan","2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid","Acta Crystallographica Section C","2001","57","7","830","832","10.1107/S0108270101005819","","","0.71073","MoKα","","0.077","0.048","","","","0.123","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012086","17.5109","0.0009","9.5222","0.0005","10.3232","0.0005","90","","90","","90","","1721.31","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylplumbane","","- C15 H10 Pb S5 -","- C15 H10 Pb S5 -","- C60 H40 Pb4 S20 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.106","0.055","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012087","17.3574","0.0005","9.227","0.0002","10.3775","0.0002","90","","90","","90","","1662.03","0.07","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylstannane","","- C15 H10 S5 Sn -","- C15 H10 S5 Sn -","- C60 H40 S20 Sn4 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.032","0.028","","","","0.061","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012088","10.654","0.002","10.0701","0.0008","10.262","0.0009","91.446","0.0008","109.639","0.002","112.649","0.002","941.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-chloromethylbis(tricyclohexylphosphine)platinum(II)","","- C37 H69 Cl P2 Pt -","- C37 H69 Cl P2 Pt -","- C37 H69 Cl P2 Pt -","1","0.5","GG1050","Otto, Stefanus","<i>trans</i>-Chloro(methyl)bis(tricyclohexylphosphine)platinum(II)","Acta Crystallographica Section C","2001","57","7","793","795","10.1107/S0108270101006035","","","0.71073","MoKα","","0.041","0.034","","","","0.076","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012089","8.169","0.002","11.042","0.003","13.745","0.004","90","","101.89","0.01","90","","1213.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(N,N-Dimethylamino)-biphenyl-2'-carboxaldehyde","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","GG1051","O'Leary, Jane; Wallis, John D.; Wood, Michael L.","1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives","Acta Crystallographica Section C","2001","57","7","851","853","10.1107/S0108270101006369","","","0.71073","MoKα","","0.067","0.051","","","","0.126","","","","","","1.08","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012090","14.161","0.003","27.913","0.006","6.7018","0.0013","90","","90","","90","","2649.1","1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(N,N-Dimethylamino)-biphenyl-2',6'-dicarboxaldehyde","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","GG1051","O'Leary, Jane; Wallis, John D.; Wood, Michael L.","1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives","Acta Crystallographica Section C","2001","57","7","851","853","10.1107/S0108270101006369","","","0.71073","MoKα","","0.074","0.044","","","","0.1","","","","","","0.97","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012091","7.265","0.001","8.361","0.001","8.885","0.001","74.95","0.01","86.04","0.01","77.87","0.01","509.49","0.11","130","2","","","","","","","","","","7","P 1","P 1","1","","","","- C5 H11 Cl2 N O2 Pt S -","- C5 H11 Cl2 N O2 Pt S -","- C10 H22 Cl4 N2 O4 Pt2 S2 -","2","2","GG1053","Llorca, Jordi; Molins, Elies; Espinosa, Enrique; Mata, Ignasi; Miravitlles, Carles; Cervantes, Gemma; Caubet, Amparo; Moreno, Virtudes","Dichloro(<small>D</small>-methionine-<i>N</i>,<i>S</i>)platinum(II) at 130K","Acta Crystallographica Section C","2001","57","7","804","806","10.1107/S0108270101006874","","","0.71069","MoKα","","","0.038","","","","0.097","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012092","14.343","0.002","12.778","0.003","7.798","0.002","90","","102.772","0.018","90","","1393.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Potassium tetrathiocyanatoargentate","Tripotassium tetrathiocyanatosilver(I)","","- C4 Ag K3 N4 S4 -","- C4 Ag K3 N4 S4 -","- C16 Ag4 K12 N16 S16 -","4","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.046","0.027","","","","0.059","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012093","9.8701","0.0006","20.0893","0.0008","10.6229","0.0007","90","","105.494","0.008","90","","2029.8","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrapotassium hexathiocyanatodiargentate","Tetrapotassium di-μ-thiocyanato-S:S-bis[dicyanatosilver(I)]","","- C6 Ag2 K4 N6 S6 -","- C6 Ag2 K4 N6 S6 -","- C24 Ag8 K16 N24 S24 -","4","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.56087","AgKα","","0.039","0.035","","","","0.085","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012094","17.9382","0.0014","10.7801","0.0008","6.6879","0.0006","90","","90","","90","","1293.28","0.18","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium dithiocyanatoargentate","Potassium [silver(I)-di-μ-thiocyanato-S:S]","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.023","0.02","","","","0.046","","","","","","1.131","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012095","17.444","0.002","9.6329","0.0009","12.68","0.001","90","","110.245","0.002","90","","1999.1","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-Pyridyl)-1,3-dithiane-2-thione","","- C9 H9 N S3 -","- C9 H9 N S3 -","- C72 H72 N8 S24 -","8","2","JZ1452","Alan Hazell, Alan; McKenzie, Christine J.; Nielsen, Jimmi","5-(2-Pyridyl)-1,3-dithiane-2-thione","Acta Crystallographica Section C","2001","57","7","859","860","10.1107/S0108270101008198","","","0.71073","MoKα","","","0.024","","","","0.034","","","","","","1.269","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012096","17.561","0.002","16.728","0.003","17.408","0.006","90","","102.42","0.02","90","","4994","2","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis-(octacarbonyl-μ-dicyclohexylphosphido-dirhenium)- dicarbonyl-platinum","","- C42 H44 O18 P2 Pt Re4 -","- C42 H44 O18 P2 Pt Re4 -","- C168 H176 O72 P8 Pt4 Re16 -","4","1","JZ1465","Haupt, Hans-Jürgen; Flörke, Ulrich; Klose, Stefanie","A pseudo-trigonal bipyramidally coordinated Pt atom in dicarbonylbis(octacarbonyl-μ-dicyclohexylphosphidodirhenio)platinum(II)","Acta Crystallographica Section C","2001","57","7","810","811","10.1107/S0108270101007399","","","0.71073","MoKα","","0.1606","0.0592","","","","0.1698","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012097","7.8578","0.0005","5.4516","0.0006","12.8276","0.0007","90","","94.73","0.04","90","","547.63","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-alanine alaninium nitrate","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C12 H30 N6 O14 -","2","1","LN1115","Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana; Alte da Veiga, Luiz","Strong hydrogen-bonded amino acid dimers in <small>L</small>-alanine alaninium nitrate","Acta Crystallographica Section C","2001","57","7","838","840","10.1107/S0108270101006072","","","0.71073","MoKα","","0.038","0.029","","","","0.083","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012098","9.2559","0.0008","10.9527","0.0009","11.6466","0.001","62.867","0.002","71.01","0.002","78.653","0.002","991.93","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'- 1',2',3',4'-tetrahydronaphthalen-1'-one","","- C24 H18 Cl N O2 -","- C24 H18 Cl N O2 -","- C48 H36 Cl2 N2 O4 -","2","1","NA1498","Subbiah Pandi, A.; Banumathi, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Manikandan, S.","3-(<i>p</i>-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one","Acta Crystallographica Section C","2001","57","7","819","820","10.1107/S0108270101003997","","","0.71073","MoKα","","0.1031","0.0646","","","","0.1911","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012099","8.6326","0.0009","13.119","0.001","15.505","0.004","90","","96.19","0.01","90","","1745.7","0.5","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C80 H68 Cl4 N8 O12 -","4","1","NA1513","Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo","Ketazolam","Acta Crystallographica Section C","2001","57","7","848","850","10.1107/S0108270101006175","","","0.71073","MoKα","","","0.046","","","","0.1317","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012100","12.4311","0.0014","8.4379","0.0005","26.5719","0.0018","90","","100.115","0.004","90","","2743.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 O6 -","- C34 H36 O6 -","- C136 H144 O24 -","4","1","NA1514","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","<i>p</i>-Methyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2001","57","7","833","834","10.1107/S0108270101005753","","","0.71073","MoKα","","0.1579","0.0765","","","","0.1878","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012101","17.1481","0.0002","17.3909","0.0001","15.8023","0.0003","90","","112.849","0.001","90","","4342.79","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine- 1,8(2H,5H)-dione","","- C24 H28 F N O2 -","- C24 H28 F N O2 -","- C192 H224 F8 N8 O16 -","8","2","NA1517","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","2001","57","7","821","824","10.1107/S0108270101005662","","","0.71073","MoKα","","0.153","0.064","","","","0.188","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012102","27.454","0.001","12.2738","0.001","16.2792","0.001","90","","123.118","0.01","90","","4594.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-(4-fluorophenyl)-9-propyl-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2H,5H)-dione","","- C26 H32 F N O2 -","- C26 H32 F N O2 -","- C208 H256 F8 N8 O16 -","8","1","NA1517","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","2001","57","7","821","824","10.1107/S0108270101005662","","","1.5418","CuKα","","0.074","0.051","","","","0.196","","","","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012103","26.625","0.005","7.863","0.002","10.23","0.002","90","","90","","90","","2141.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","melaminium di-p-phenolsulfonate dihydrate","2,4,6-triamino-1,3,5-triazine-1,3-diium bis(4-hydroxybenzenesulfonate) dihydrate","","- C15 H22 N6 O10 S2 -","- C15 H22 N6 O10 S2 -","- C60 H88 N24 O40 S8 -","4","0.5","NA1522","Jan Janczak; Genivaldo Julio Perpétuo","Melaminium bis(4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2001","57","7","873","875","10.1107/S0108270101007600","","","0.71073","MoKα","","0.068","0.036","","","","0.098","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012104","10.559","0.004","11.658","0.004","23.169","0.007","90","","100.54","0.03","90","","2803.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(4-methylphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-methylphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C120 H112 N8 O16 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.0669","0.0459","","","","0.1304","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012105","10.546","0.001","11.844","0.001","21.985","0.003","90","","101.25","0.01","90","","2693.3","0.5","160","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C120 H112 N8 O20 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.0661","0.0422","","","","0.1099","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012106","10.5361","0.001","24.04","0.003","10.6146","0.001","90","","93.863","0.01","90","","2682.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C29 H25 Cl N2 O4 S2 -","- C29 H25 Cl N2 O4 S2 -","- C116 H100 Cl4 N8 O16 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.1208","0.0493","","","","0.1084","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012107","20.1931","0.0005","20.2156","0.0004","23.199","0.0004","90","","90","","90","","9470.2","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorotris(N,N'-dicyclohexylthiorea-S)tellurium(II) chloride","","- C39 H72 Cl2 N6 S3 Te -","- C39 H72 Cl2 N6 S3 Te -","- C312 H576 Cl16 N48 S24 Te8 -","8","1","SK1475","Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu","Chlorotris(<i>N</i>,<i>N</i>'-dicyclohexylthiourea-<i>S</i>)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere","Acta Crystallographica Section C","2001","57","7","854","856","10.1107/S010827010100659X","","","0.71073","MoKα","","0.076","0.03","","","","0.066","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012108","7.0956","0.0014","19.035","0.004","15.312","0.003","90","","100.61","0.03","90","","2032.8","0.7","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","SK1476","Coe, Benjamin J.; Harris, James A.; Coles, Simon J.; Hursthouse, Michael B.","<i>trans</i>-4-[(4-Dimethylaminophenyl)iminomethyl]-<i>N</i>-methylpyridinium <i>para</i>-toluenesulfonate","Acta Crystallographica Section C","2001","57","7","857","858","10.1107/S0108270101008009","","","0.71073","MoKα","","","0.0487","","","","0.1145","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012109","5.183","0.0005","15.22","0.003","29.63","0.01","90","","90","","90","","2337.4","0.9","295","3","295","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-oxalyl-bis(L-phenylalanine amide) dymethylsuphoxide solvate","","- C22 H28 N4 O5 S -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","1","SK1478","Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen","Intermolecular contacts in the crystal packing of 2,2'-(<i>N</i>,<i>N</i>'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","7","865","867","10.1107/S0108270101007041","","","1.54178","CuKα","","0.0828","0.0431","","","","0.12","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012110","9.568","0.002","11.567","0.003","14.01","0.004","83.37","0.02","80.69","0.05","72.08","0.03","1452.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3'-Benzylidenebis(4-hydroxy-5,7-dimethyl-2H-chromen-2-one)piperidine(1:1) or 3, 3'-(phenylmethylene)bis[4-hydroxy-5,7-dimethyl-2H-1-benzopyran-2-one] piperidine(1:1) or 3, 3'-Benzylidenebis(5,7-dimethyl-4-hydroxycoumarin)","","- C34 H35 N O6 -","- C34 H35 N O6 -","- C68 H70 N2 O12 -","2","1","VJ1122","Vijayalakshmi, L.; Parthasarathi, V.; Vipul, Vora; Bhavik, Desai; Anamik, Shah","Piperidinium 3-[(4-hydroxy-5,7-dimethyl-2-oxo-2<i>H</i>-chromen-3-yl)phenylmethyl]-5,7-dimethyl-2-oxo-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section C","2001","57","7","817","818","10.1107/S010827010100364X","","","0.71073","MoKα","","0.0583","0.0456","","","","0.1375","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012111","8.8173","0.0014","10.8916","0.0017","11.2986","0.0017","115.254","0.003","99.964","0.003","106.135","0.003","888","0.2","293","2","","","","","","","","","","6","P -1","-P 1","2","","Bis[chloro(1-(2-hydroxybenzyl)-1,5-diazacyclooctane) zinc(II) acetone]","","- C32 H50 Cl2 N4 O4 Zn2 -","- C32 H50 Cl2 N4 O4 Zn2 -","- C32 H50 Cl2 N4 O4 Zn2 -","1","0.5","BJ1029","Xu, Qiang; Du, Miao; Guo, Ya-Mei; Bu, Xian-He","Bis{μ-2-[(1,5-diaza-1-cyclooctyl)methyl]phenolato-<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>}bis[chlorozinc(II)] diacetone solvate: design of a square-pyramidal ZnN~2~O~2~Cl complex","Acta Crystallographica Section C","2001","57","8","893","894","10.1107/S0108270101007004","","","0.71073","MoKα","","","0.0298","","","","0.075","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012112","11.9647","0.0011","8.3276","0.0007","7.6054","0.0007","90","","90","","90","","757.78","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","isonipecotic acid","4-piperidinecarboxylic acid","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1590","Delgado, Gerzon; Mora, Asiloé J.; Bahsas, Ali","Zwitterionic 4-piperidinecarboxylic acid monohydrate","Acta Crystallographica Section C","2001","57","8","965","967","10.1107/S0108270101007958","","","0.71073","MoKα","","0.038","0.037","","","","0.101","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012113","7.0958","0.0013","16.05","0.003","16.856","0.004","90","","90","","90","","1919.7","0.7","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-bromo-4β,6-dihydro-1β-isopropyl-4α-methoxycarbonyl-3aα,8- dimethylcyclopenta[a-1a,3a,4,5-tetrahydronaphthalen-5-one]","","- C20 H25 Br O5 -","- C20 H25 Br O5 -","- C80 H100 Br4 O20 -","4","1","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0476","0.0404","","","","0.1071","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012114","10.0979","0.0001","20.5473","0.0002","10.7452","0.0001","90","","106.685","0.001","90","","2135.6","0.04","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-bromo-5-(2'α-carboxymethyl-5'α-isopropyl-2'β-methyl)-3-imono- 7-methyl-2,3-dihydrobenzopyran-4-one","","- C21 H28 Br N O4 -","- C21 H28 Br N O4 -","- C84 H112 Br4 N4 O16 -","4","2","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0434","0.0295","","","","0.0649","","","","","","0.852","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012115","16.647","0.003","16.385","0.003","8.053","0.0016","90","","98.08","0.03","90","","2174.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(Isothiocyanato-(2,2'-Bipyridine))-nickel(ii)","","- C22 H16 N6 Ni S2 -","- C22 H16 N6 Ni S2 -","- C88 H64 N24 Ni4 S8 -","4","1","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.11","0.063","","","","0.205","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012116","13.018","0.003","10.116","0.002","17.536","0.004","90","","90","","90","","2309.3","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(Isothiocyanato-(1,10-Phenanthroline))-nickel(ii)","","- C26 H16 N6 Ni S2 -","- C26 H16 N6 Ni S2 -","- C104 H64 N24 Ni4 S8 -","4","0.5","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.094","0.029","","","","0.091","","","","","","0.968","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012117","9.689","0.001","10.757","0.001","14.754","0.001","77.71","0.01","79","0.01","70.07","0.01","1400.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(Isothiocyanato-(2,9-dimethyl-1,10-phenanthroline))-nickel(ii) hydrate","","- C30 H26 N6 Ni O S2 -","- C30 H24 N6 Ni O0.404 S2 -","- C60 H48 N12 Ni2 O0.808 S4 -","2","1","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.071","0.04","","","","0.081","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012118","9.7411","0.0009","7.5931","0.0007","17.444","0.002","90","","112.682","0.008","90","","1190.5","0.2","293","1","293","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","pyrrole-2-thiocarboxamide","1H-pyrrole-2-carbothioamide","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","BM1450","Smith, Matt C.; Davies, Sian C.; Hughes, David L.; Evans, David J.","1<i>H</i>-Pyrrole-2-carbothioamide","Acta Crystallographica Section C","2001","57","8","987","988","10.1107/S0108270101008423","","","0.71069","Mo-Kα","","0.047","0.035","","","0.092","0.102","","","","1.086","1.086","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012119","11.9794","0.0018","8.9951","0.0013","10.0786","0.0016","90","","101.557","0.003","90","","1064","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (I)","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","BM1452","Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.","Conformational polymorphs of 22-cyano-<i>N</i>-methyl-5-phenylpent-2-en-4-ynamide","Acta Crystallographica Section C","2001","57","8","996","998","10.1107/S010827010100909X","","","0.71073","MoKα","","0.063","0.044","","","","0.116","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012120","22.652","0.012","9.728","0.007","10.269","0.005","90","","97.29","0.04","90","","2245","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (II)","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","2","BM1452","Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.","Conformational polymorphs of 22-cyano-<i>N</i>-methyl-5-phenylpent-2-en-4-ynamide","Acta Crystallographica Section C","2001","57","8","996","998","10.1107/S010827010100909X","","","0.71073","MoKα","","0.165","0.052","","","","0.169","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012121","5.1456","0.0005","6.0794","0.0005","5.1291","0.0006","90","","108.859","0.008","90","","151.84","0.03","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Li3 O4 Sb -","- Li3 O4 Sb -","- Li6 O8 Sb2 -","2","0.5","BR1318","Bernès, Sylvain; Trujillo Tovar, Sonia; Castellanos R., María A.","A comparison of the X-ray single-crystal structure of Li~3~SbO~4~ with the Rietveld refinement","Acta Crystallographica Section C","2001","57","8","883","884","10.1107/S0108270101007569","","","0.71073","MoKα","","0.0163","0.0149","","","","0.0355","","","","","","1.043","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012122","17.123","0.008","17.123","0.008","12.255","0.006","90","","90","","90","","3593","3","20","2","20","2","","","","","","","","5","I -4","I -4","82","Dodecanuclear mixed-1valence manganese carboxylate","tetraaquahexadecaacetatododecaoxododecamanganese bis(acetic acid) tetrahydrate","","- C36 H18 D54 Mn12 O56 -","- C36 H18 D54 Mn12 O56 -","- C72 H36 D108 Mn24 O112 -","2","0.25","BR1327","Langan, Paul; Robinson, Robert, A.; Brown, P. Jane; Argyriou, Dimitri, N.; Hendrickson, David, N.; Christou, George","A low-temperature neutron diffraction study of Mn~12~-acetate","Acta Crystallographica Section C","2001","57","8","909","910","10.1107/S0108270101008599","","neutron","0.8405","neutron","","0.095","0.089","","","","0.209","","","","","","1.57","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012123","16.131","0.007","18.07","0.008","14.349","0.006","90","","91.95","0.02","90","","4180","3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3- carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","2","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1<i>H</i>-pyrido[3,2-<i>b</i>]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.5","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012124","22.466","0.008","24.859","0.009","6.906","0.003","90","","90","","90","","3857","3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(4-Nitrophenyl)-phenylamino]-5H-pyrido[3,2-b]indole-3-carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","1","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1<i>H</i>-pyrido[3,2-<i>b</i>]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.72","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012125","12.343","0.002","5.273","0.001","26.029","0.007","90","","101.54","0.02","90","","1659.8","0.6","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 S5 -","- C17 H10 S5 -","- C68 H40 S20 -","4","1","FR1325","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5,6-Diphenyl[1,3]dithiolo[4,5-<i>b</i>]dithiine-2-thione","Acta Crystallographica Section C","2001","57","8","926","928","10.1107/S0108270101006679","","","1.5418","CuKα","","","0.0575","","","","0.1493","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012126","7.64","0.002","8.606","0.006","30.307","0.017","90","","90.25","0.03","90","","1992.7","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","FR1330","Caignan, Gregori A.; Holt, Elizabeth M.","Diethyl 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, conformational change with solvent of crystallization","Acta Crystallographica Section C","2001","57","8","934","935","10.1107/S0108270101006916","","","0.71073","MoKα","","0.1092","0.0569","","","","0.1131","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012127","7.043","0.001","28.741","0.006","5.94","0.001","90","","103.06","0.03","90","","1171.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[aqua copper(II)-μ-(1-oxido-N-naphthylideneglycinato-O,N,O':O')]","","- C13 H11 Cu N O4 -","- C13 H11 Cu N O4 -","- C52 H44 Cu4 N4 O16 -","4","1","GD1148","Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[aquacopper(II)-μ-[<i>N</i>-(1-oxido-2-naphthylmethylene)glycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']]","Acta Crystallographica Section C","2001","57","8","889","890","10.1107/S0108270101006060","","","0.71073","MoKα","","0.039","0.034","","","","0.099","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012128","12.6464","0.0003","8.4615","0.0002","10.4323","0.0002","90","","96.578","0.001","90","","1108.99","0.04","120","0.2","120","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,2,3-tris-(1'-hydroxycyclopropyl)cyclopropane","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","GD1150","Yufit, Dmitrii S.; Howard, Judith A.K.; Kozhushkov, Sergei I.; Kostikov, Rafael R.; de Meijere, Armin","<i>trans</i>-1,2,3-Tris(1-hydroxycyclopropyl)cyclopropane","Acta Crystallographica Section C","2001","57","8","968","969","10.1107/S010827010100796X","","","0.71073","MoKα","","0.0553","0.0419","","","","0.1034","","","","","","1.102","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012129","12.85","0.002","25.824","0.007","13.308","0.002","90","","105.77","0.01","90","","4249.9","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)]0.5(CH~2~Cl~2~)","8-methoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane hemisolvate","","- C37.5 H45 B10 Cl O P2 Pt -","- C37.5 H45 B10 Cl O P2 Pt -","- C150 H180 B40 Cl4 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted <i>nido</i>-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71069","MoKα","","0.055","0.037","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012130","11.114","0.003","21.634","0.008","18.99","0.008","90","","103.75","0.03","90","","4435","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{(PPh~3~)~2~PtB~10~H~11~-8-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)","8-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate","","- C40 H50 B10 Cl2 O P2 Pt -","- C40 H50 B10 Cl2 O P2 Pt -","- C160 H200 B40 Cl8 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted <i>nido</i>-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71073","MoKα","","0.164","0.069","","","","0.238","","","","","","1.375","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012131","13.435","0.003","17.864","0.004","19.383","0.004","90","","105.94","0.02","90","","4473.1","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{(PPh~3~)~2~PtB~10~H~11~-9-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)","9-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate","","- C40 H50 B10 Cl2 O P2 Pt -","- C40 H50 B10 Cl2 O P2 Pt -","- C160 H200 B40 Cl8 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted <i>nido</i>-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71069","MoKα","","0.057","0.035","","","","0.096","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012132","8.163","0.0011","16.3957","0.001","11.5686","0.0014","90","","98.622","0.011","90","","1530.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[3-Co{η^5^-(2,5-(CH~3~)~2~-NC~4~H~2~)}-1-CH~3~-1,2-C~2~B~9~H~10~]","","- C9 H21 B9 Co N -","- C9 H21 B9 Co N -","- C36 H84 B36 Co4 N4 -","4","1","GD1152","Sillanpää, Reijo; Llop, Jordi; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko","η^5^-(3)-1-Methyl-1,2-dicarbollyl-η^5^-2',5'-dimethylpyrrolylcobalt(III)","Acta Crystallographica Section C","2001","57","8","900","901","10.1107/S0108270101007971","","","0.71069","MoKα","","0.0474","0.0302","","","","0.0767","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012133","9.6165","0.0007","9.0032","0.0007","9.6231","0.0007","90","","90.951","0.002","90","","833.05","0.11","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","beryllophosphate gismondine","","","- C H5 Be N O4 P -","- C H5 Be N O4 P -","- C8 H40 Be8 N8 O32 P8 -","8","1","GD1154","Harrison, William T. A.","[H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine","Acta Crystallographica Section C","2001","57","8","891","892","10.1107/S0108270101006928","","","0.71073","MoKα","","0.048","0.035","","","","0.093","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012134","5.903","0.0012","27.549","0.006","23.371","0.005","90","","101.22","0.03","90","","3728","1.4","215","2","215","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine-sebacic acid","Decanedioic acid-1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decane (1/1)","","- C16 H30 N4 O4 -","- C16 H30 N4 O4 -","- C128 H240 N32 O32 -","8","2","GG1054","Gardon, Manuel; Schönleber, Andreas; Chapuis, Gervais; Hostettler, Marc; Bonin, Michel","The lock-in phase in the urotropine‒sebacic acid system","Acta Crystallographica Section C","2001","57","8","936","938","10.1107/S0108270101007028","","","0.71073","MoKα","","0.111","0.057","","","","0.064","","","","","","1.625","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012135","10.9948","0.001","9.6922","0.001","21.381","0.005","90","","94.815","0.01","90","","2270.4","0.6","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","1,2-bis(N-fluoro-p-toluenesulfonamido)ethane","","- C17 H19 Cl3 F2 N2 O4 S2 -","- C17 H19 Cl3 F2 N2 O4 S2 -","- C68 H76 Cl12 F8 N8 O16 S8 -","4","1","GG1055","Ardeshir, Khazaei; Banks, R. Eric; Besheesh, Mohammed K.; Brisdon, Alan K.; Pritchard, Robin G.","1,2-Bis(<i>N</i>-fluoro-<i>p</i>-toluenesulfonamido)ethane chloroform solvate","Acta Crystallographica Section C","2001","57","8","970","972","10.1107/S0108270101007983","","","0.71073","MoKα","","0.092","0.05","","","","0.142","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012136","8.2903","0.0002","12.0158","0.0002","13.835","0.0003","75.6616","0.001","79.4036","0.0011","84.9664","0.0009","1311.18","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","Tetrakis(dimethylamido)vanadium","","- C8 H24 N4 V -","- C8 H24 N4 V -","- C32 H96 N16 V4 -","4","2","GG1056","Dubberley, Stuart R.; Tyrrell, Ben R.; Mountford, Philip","Tetrakis(dimethylamido)vanadium(IV)","Acta Crystallographica Section C","2001","57","8","902","904","10.1107/S0108270101008368","","","0.71073","MoKα","","","0.0325","","","","0.0431","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012137","7.0529","0.0002","8.1852","0.0002","8.745","0.0006","63.365","0.002","89.575","0.002","88.637","0.003","451.14","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)dionato]sodium","","- C5 H9 N4 Na O5 -","- C5 H9 N4 Na O5 -","- C10 H18 N8 Na2 O10 -","2","1","GG1058","Cuesta, Rafael; Arranz-Mascarós, Paloma; Low, John N.; Glidewell, Christopher","[6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato]sodium dihydrate at 150K: coordination-polymer ladders linked by hydrogen bonds","Acta Crystallographica Section C","2001","57","8","918","921","10.1107/S010827010100720X","","","0.71073","MoKα","","0.071","0.049","","","","0.136","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012138","12.7129","0.0002","11.2067","0.0001","11.6822","0.0002","90","","109.578","0.001","90","","1568.14","0.04","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O -","- C15 H20 N4 O -","- C60 H80 N16 O4 -","4","1","GG1059","Lüning, Ulrich; Kühl, Christine; Bolte, Michael","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-(5,7-dimethyl-1,8-naphthyridin-2-yl)urea","Acta Crystallographica Section C","2001","57","8","989","990","10.1107/S0108270101008605","","","0.71073","MoKα","","0.084","0.05","","","","0.136","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012139","21.4097","0.0003","6.1559","0.0006","10.0605","0.0013","90","","90","","90","","1325.9","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","1","GG1060","Ross, Jennifer N.; Low, John N.; Fernandes, Christiane; Wardell, James L.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis[tris(hydroxymethyl)methyl]ethanediamide: six O—H···O hydrogen bonds generate only a two-dimensional structure","Acta Crystallographica Section C","2001","57","8","949","951","10.1107/S0108270101008940","","","0.71073","MoKα","","0.0605","0.0471","","","","0.1199","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012140","9.7191","0.0003","11.3281","0.0004","17.5549","0.0007","78.697","0.0016","87.81","0.0015","75.772","0.002","1837.05","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4-pyridyl)ethane (1/1)","","- C48 H42 Fe N2 O2 -","- C48 H42 Fe N2 O2 -","- C96 H84 Fe2 N4 O4 -","2","1","GG1062","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane","Acta Crystallographica Section C","2001","57","8","914","917","10.1107/S010827010100837X","","","0.71073","MoKα","","0.1134","0.051","","","","0.1247","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012141","9.8551","0.0002","11.7183","0.0002","27.681","0.0005","82.3495","0.0008","84.4918","0.0008","73.4846","0.0008","3031.88","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-diaminoethane (1/1)","","- C38 H38 Fe N2 O2 -","- C38 H37.744 Fe N2 O2 -","- C152 H150.976 Fe4 N8 O8 -","4","2","GG1062","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane","Acta Crystallographica Section C","2001","57","8","914","917","10.1107/S010827010100837X","","","0.71073","MoKα","","0.1148","0.05","","","","0.1234","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012142","7.806","0.001","7.806","0.001","14.867","0.002","90","","90","","120","","784.53","0.18","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0197","0.0197","","","","0.0552","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012143","7.7724","0.0004","7.7724","0.0004","14.763","0.002","90","","90","","120","","772.35","0.12","10.5","0.5","10.5","0.5","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0213","0.0213","","","","0.0614","","","","","","1.071","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012144","10.4122","0.0011","4.7567","0.0008","11.6778","0.0016","90","","108.168","0.01","90","","549.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(methoxycarbonylmethyl)oxalamide","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","JZ1454","Armelin, Elaine; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi","Dimethyl <i>N</i>,<i>N</i>'-oxalamidodiethanoate","Acta Crystallographica Section C","2001","57","8","932","933","10.1107/S0108270101006965","","","1.54178","CuKα","","0.0602","0.0565","","","","0.1548","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012145","9.906","0.004","12.528","0.005","13.991","0.005","90","","105.44","0.04","90","","1673.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-[(2-Methoxycarbonyl-1-methoxycarbonylmethyl-4-pyrrolyl)methylene]- propanedioate","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","JZ1455","Lokaj, Jan; Kettmann, Viktor; Milata, Viktor; Hodul, Pavol; Kottaš, Peter; Petrov, Ognyan","Dimethyl 2-{[2-(methoxycarbonyl)-1-(methoxycarbonylmethyl)pyrrol-4-yl]methylene}propanedioate","Acta Crystallographica Section C","2001","57","8","973","974","10.1107/S0108270101008204","","","0.71073","MoKα","","0.0801","0.0585","","","","0.1967","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012146","9.325","0.001","9.662","0.001","15.619","0.002","90","","90","","90","","1407.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C13 H16 N O5 P -","- C13 H16 N O5 P -","- C52 H64 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.0853","0.0636","","","","0.1574","","","","","","1.225","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012147","11.071","0.001","16.19","0.002","8.49","0.001","90","","90","","90","","1521.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-methyl-2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C14 H18 N O5 P -","- C14 H18 N O5 P -","- C56 H72 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.041","0.0336","","","","0.0965","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012148","7.114","0.002","7.38","0.002","10.849","0.004","96.68","0.02","97.49","0.02","100.54","0.02","549.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(2-nitrophenyl)azo]phenol","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","NA1519","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol","Acta Crystallographica Section C","2001","57","8","961","964","10.1107/S0108270101007594","","","0.71073","MoKα","","0.067","0.038","","","","0.101","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012149","3.823","0.001","23.014","0.008","25.437","0.009","90","","92.73","0.03","90","","2235.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(2-nitrophenyl)azo]phenol","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","2","NA1519","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol","Acta Crystallographica Section C","2001","57","8","961","964","10.1107/S0108270101007594","","","0.71073","MoKα","","0.195","0.066","","","","0.124","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012150","11.3148","0.0008","14.2488","0.0005","15.3512","0.0011","84.28","0.004","69.132","0.002","79.683","0.004","2273.5","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H68 O6 -","- C50 H68 O6 -","- C100 H136 O12 -","2","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.1069","0.0608","","","","0.1579","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012151","10.6466","0.0005","11.0343","0.0007","15.1801","0.0007","90","","105.842","0.003","90","","1715.59","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O8 -","- C40 H48 O8 -","- C80 H96 O16 -","2","0.5","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.0704","0.0446","","","","0.1123","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012152","23.232","0.0015","9.0186","0.0003","19.6065","0.0012","90","","108.819","0.002","90","","3888.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 O8 -","- C44 H56 O8 -","- C176 H224 O32 -","4","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.1171","0.0571","","","","0.1444","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012153","8.6669","0.0006","13.7665","0.0011","16.8072","0.0009","113.671","0.004","94.723","0.004","97.119","0.003","1803.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 O9 -","- C42 H50 O9 -","- C84 H100 O18 -","2","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.0952","0.0546","","","","0.1353","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012154","7.726","0.002","8.057","0.003","14.352","0.006","90","","90","","90","","893.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diisopropylammonium hydrogen difluoroide","","- C6 H17 F2 N -","- C6 H17 F2 N -","- C24 H68 F8 N4 -","4","1","NA1527","Reiss, Guido J.","Diisopropylammonium hydrogen difluoride","Acta Crystallographica Section C","2001","57","8","994","995","10.1107/S0108270101008836","","","0.71073","MoKα","","0.04","0.0298","","","","0.0709","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012155","13.173","0.003","10.424","0.002","19.435","0.004","90","","99.76","0.03","90","","2630.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Cr I N8 -","- C32 H16 Cr I N8 -","- C128 H64 Cr4 I4 N32 -","4","1","NA1528","Janczak, Jan; Idemori, Ynara Marina","Iodo(phthalocyaninato)chromium(III)","Acta Crystallographica Section C","2001","57","8","924","925","10.1107/S0108270101009076","","","0.71073","MoKα","","0.1448","0.0497","","","","0.0485","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012156","9.145","0.002","9.427","0.002","9.889","0.002","85.19","0.03","82.64","0.03","62.45","0.03","749.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(N,N-diphenylamino)benzoic acid","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C38 H30 N2 O4 -","2","1","SK1456","Boużyk, Anna; Konitz, Antoni; Błażejowski, Jerzy","2-(<i>N</i>,<i>N</i>-Diphenylamino)benzoic acid","Acta Crystallographica Section C","2001","57","8","985","986","10.1107/S0108270101008459","","","0.71073","MoKα","","0.176","0.044","","","","0.151","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012157","6.266","0.001","7.775","0.001","14.53","0.001","76.475","0.004","87.682","0.004","84.684","0.004","685.15","0.15","293","","293","","","","","","","","","2","P -1","-P 1","2","","pentacene","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","SK1477","Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; Boer, Jan L. de; Palstra, Thomas T.M.","Polymorphism in pentacene","Acta Crystallographica Section C","2001","57","8","939","941","10.1107/S010827010100703X","","","0.71073","MoKα","","0.2265","0.0685","","","","0.1785","","","","","","0.943","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012158","6.239","0.001","7.636","0.001","14.33","0.002","76.978","0.003","88.136","0.003","84.415","0.003","661.94","0.17","90","","90","1","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M.","Polymorphism in pentacene","Acta Crystallographica Section C","2001","57","8","939","941","10.1107/S010827010100703X","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2012159","7.1647","0.0004","7.9572","0.0004","8.0489","0.0005","67.905","0.003","86.956","0.003","65.744","0.002","384.84","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C12 H10 I2 N4 O4 -","2","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.0535","0.046","","","","0.12","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012160","7.4215","0.0005","12.6755","0.0009","16.4638","0.0011","90","","90","","90","","1548.77","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.1376","0.0631","","","","0.1798","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012161","14.7077","0.0005","10.1602","0.0004","6.7878","0.0002","90","","90","","90","","1014.32","0.06","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Nitrodiphenylamine","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","SK1481","McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher","Hydrogen-bonded chains in <i>N</i>-(2-nitrophenyl)phenylamine","Acta Crystallographica Section C","2001","57","8","946","948","10.1107/S0108270101008010","","","0.71073","MoKα","","0.0568","0.0456","","","","0.111","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012162","5.9217","0.0004","8.9858","0.0005","8.9987","0.0006","61.73","0.003","81.885","0.003","81.448","0.004","415.65","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Dimethylpiperazinium (2+) phosphonoacetate","","- C10 H24 N2 O10 P2 -","- C10 H24 N2 O10 P2 -","- C10 H24 N2 O10 P2 -","1","0.5","SK1482","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Dimethylpiperazinium(2+) phosphonoacetate: hydrogen-bonded anion sheets containing cation-templated <i>R</i>~6~^6^(28) rings","Acta Crystallographica Section C","2001","57","8","952","954","10.1107/S0108270101008022","","","0.71073","MoKα","","0.0777","0.0453","","","","0.1245","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012163","7.736","0.0002","10.2394","0.0004","29.7822","0.0011","90","","90","","90","","2359.11","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Piperazinium(2+) bis(mandelate) bis(methanol) solvate","","- C22 H34 N2 O8 -","- C22 H34 N2 O8 -","- C88 H136 N8 O32 -","4","0.5","SK1483","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate","Acta Crystallographica Section C","2001","57","8","955","957","10.1107/S0108270101007922","","","0.71073","MoKα","","0.127","0.048","","","","0.133","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012164","4.964","0.0015","6.346","0.002","7.336","0.002","90","","107.25","0.02","90","","220.7","0.12","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium 2-nitroethanaloximate","","- C2 H3 N2 Na O3 -","- C2 H3 N2 Na O3 -","- C4 H6 N4 Na2 O6 -","2","0.5","SK1484","Ferguson, George; Lough, Alan J.; Smith, David M.; Zakaria, Choudhury M.; Glidewell, Christopher","Sodium 2-nitroethanaloximate forms a layered-framework structure","Acta Crystallographica Section C","2001","57","8","922","923","10.1107/S0108270101008125","","","0.71073","MoKα","","0.0778","0.0591","","","","0.1615","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012165","19.9616","0.0004","13.8047","0.0004","12.1531","0.0003","90","","90.508","0.001","90","","3348.82","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 Cl2 Mn2 N9 O13 -","- C20 H48 Cl2 Mn2 N9 O13 -","- C80 H192 Cl8 Mn8 N36 O52 -","4","0.5","SK1485","Lu, Ying-Hong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Shen, Zhen; Zuo, Jing-Lin; You, Xiao-Zeng","A mixed-valence manganese(III)‒manganese(IV) di-μ-oxo complex, [(cyclam)MnO]~2~(ClO~4~)~2~(NO~3~)","Acta Crystallographica Section C","2001","57","8","911","913","10.1107/S0108270101008617","","","0.71073","MoKα","","0.0564","0.0493","","","","0.1495","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012166","6.887","0.0014","12.851","0.003","22.462","0.005","90","","90","","90","","1988","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Z-Pro-D-Leu","N-benzyloxycarbonyl-prolyl-D-leucine","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C76 H104 N8 O20 -","4","1","SX1122","Birkedal, Henrik; Schwarzenbach, Dieter; Pattison, Philip","<i>N</i>-Z-Pro‒<small>D</small>-Leu using synchrotron radiation data from a very small crystal","Acta Crystallographica Section C","2001","57","8","975","977","10.1107/S0108270101008319","","","0.8008","synchrotron","","0.0448","0.0364","","","","0.1044","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012167","7.803","0.001","15.353","0.002","6.985","0.001","112.3","0.01","74.44","0.01","111.84","0.01","710.73","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0725","0.0489","","","","0.158","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012168","7.773","0.001","15.315","0.002","6.8347","0.0009","113.249","0.008","73.569","0.009","111.796","0.009","685.2","0.16","10","0.5","10","0.5","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0309","0.0304","","","","0.0853","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012169","9.1535","0.0011","17.337","0.002","16.637","0.002","90","","100.031","0.002","90","","2599.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-phenylthiobis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran) lanthanum(III)] bis(tetrahydrofuran) solvate","","- C52 H70 La2 O4 S2 -","- C52 H70 La2 O4 S2 -","- C104 H140 La4 O8 S4 -","2","0.5","VJ1111","Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong","Di-μ-phenylthio-bis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran)lanthanum(III)] bis(tetrahydrofuran) solvate","Acta Crystallographica Section C","2001","57","8","887","888","10.1107/S0108270100017996","","","0.71073","MoKα","","0.0475","0.0345","","","","0.0972","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012170","9.2347","0.0013","9.6814","0.0013","14.588","0.002","90","","95.948","0.002","90","","1297.2","0.3","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","(Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN] (2,2',6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate","","- C26 H20 B F4 N7 O2 Ru -","- C26 H20 B F4 N7 O2 Ru -","- C52 H40 B2 F8 N14 O4 Ru2 -","2","1","VJ1141","Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey","(Nitro-κ<i>N</i>)[2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>](2,2':6',2''-terpyridine-κ^3^<i>N</i>)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","8","895","896","10.1107/S0108270101007715","","","0.71073","MoKα","","0.029","0.027","","","","0.068","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012171","8.0486","0.0001","9.6105","0.0001","9.6204","0.0001","60.1766","0.0006","66.7586","0.0007","85.3542","0.0007","586.973","0.013","293","1","293","1","","","","","","","","3","P -1","-P 1","2","TIM","1,3,5-triiodo-2,4,6-trimethylbenzene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","AV1075","Boudjada, Ali; Hernandez, Olivier; Meinnel, Jean; Mani, Mohammed; Paulus, Werner","1,3,5-Triiodo-2,4,6-trimethylbenzene at 293K","Acta Crystallographica Section C","2001","57","9","1106","1108","10.1107/S0108270101010113","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.118","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012172","15.743","0.005","17.549","0.006","19.945","0.007","91.051","0.007","108.916","0.006","111.094","0.006","4806","3","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","bis(μ-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tripyridinecadmium(II)] dipyridine solvate","","- C68 H80 Cd2 N8 O4 -","- C68 H80 Cd2 N8 O4 -","- C204 H240 Cd6 N24 O12 -","3","1.5","AV1076","Fukin, Georgy K.; Zakharov, Lev N.; Maslennikov, Stanislav V.; Piskunov, Alexander V.; Cherkasov, Vladimir K.","Bis(μ-3,5-di-<i>tert</i>-butylcatecholato-<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^)bis[tris(pyridine-<i>N</i>)cadmium(II)] dipyridine solvate","Acta Crystallographica Section C","2001","57","9","1020","1021","10.1107/S010827010100854X","","","0.71073","MoKα","","0.089","0.05","","","","0.133","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012173","9.563","0.004","9.703","0.004","12.031","0.006","93.99","0.04","105.09","0.04","103.66","0.04","1037.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydro- pyridine-3,5-dicarboxylate","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C40 H46 N6 O14 -","2","1","AV1077","Vrábel, Viktor; Lehotay, Jozef; Oktavec, Drahomír; Marchalín, Štefan","3-Methyl 5-isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","2001","57","9","1073","1074","10.1107/S0108270101009313","","","0.71069","MoKα","","0.1919","0.0518","","","","0.068","","","","","","0.783","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012174","9.213","0.003","7.761","0.001","10.18","0.002","90","","118.04","0.02","90","","642.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole","","- C2 H2 N6 O4 -","- C2 H2 N6 O4 -","- C8 H8 N24 O16 -","4","1","AV1078","Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Pekhotin, Konstantin V.; Rogozin, Mark V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","5-Nitro-2-nitromethyl-2<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section C","2001","57","9","1101","1102","10.1107/S0108270101010125","","","1.5418","CuKα","","0.047","0.038","","","","0.108","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012175","11.1176","0.0001","11.5112","0.0001","17.1203","0.0001","90","","95.346","0.001","90","","2181.47","0.03","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","BJ1032","Naumov, Panče; Jovanovski, Gligor; Hu, Sheng-Zhi; Suh, Il-Hwan; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng","On the short carbonyl bond in bis[μ-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxido-κ^2^<i>N</i>:<i>O</i>]bis{[1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxido-κ<i>N</i>]bis(imidazole)copper(II)}","Acta Crystallographica Section C","2001","57","9","1016","1019","10.1107/S0108270101009507","","","0.71073","MoKα","","0.067","0.051","","","","0.139","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012176","14.393","0.005","8.201","0.002","12.606","0.004","90","","113.17","0.02","90","","1368","0.8","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C44 H56 N8 O20 S8 -","4","1","BM1460","Dalluhn, Jörg; Pröhl, Hans-Heinrich; Fischer, Axel K.; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXLV. <i>N</i>-Diethylcarbamoyl-<i>o</i>-benzenedisulfonimide, a urea with non-planar geometry at nitrogen and an amide single bond","Acta Crystallographica Section C","2001","57","9","1109","1111","10.1107/S0108270101010605","","","0.71073","MoKα","","0.0501","0.0403","","","","0.109","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012177","4.8149","0.0003","24.6603","0.0015","6.9111","0.0004","90","","106.418","0.001","90","","787.14","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tin Phenyl Phosphonate","Tin(II) Phenyl Phosphonate","","- C6 H5 O3 P Sn -","- C6 H5 O3 P Sn -","- C24 H20 O12 P4 Sn4 -","4","1","BR1323","Lansky, David E.; Zavalij, Peter Y.; Oliver, Scott R. J.","A layered tin(II) phosphonate, [Sn(C~6~H~5~O~3~P)]~<i>n~</i>","Acta Crystallographica Section C","2001","57","9","1051","1052","10.1107/S0108270101010034","","","0.71073","MoKα","","0.031","0.029","","","","0.066","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012179","10.539","0.002","10.539","0.002","10.539","0.002","90","","90","","90","","1170.6","0.4","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","tin niobate","Tin niobate","","- Nb1.84 O6.35 Sn1.59 -","- Nb1.84 O6.352 Sn1.5896 -","- Nb14.72 O50.816 Sn12.7168 -","8","0.0416667","BR1329","Cruz, Luisa Paula; Savariault, Jean-Michel; Rocha, João","Pyrochlore-type tin niobate","Acta Crystallographica Section C","2001","57","9","1001","1003","10.1107/S0108270101010320","","","0.71073","MoKα","","0.0341","0.0268","","0.0631","","0.0598","","","0.943","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012180","5.4809","0.0003","5.4804","0.0003","26.5533","0.0016","89.999","0.004","90.245","0.004","89.999","0.005","797.59","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ca2 Li Nb3 O10 -","- Ca2 Li Nb3 O10 -","- Ca8 Li4 Nb12 O40 -","4","2","BR1337","Ishizawa, Nobuo; Yamashita, Reiko; Oishi, Shuji; Hester, James R.; Kishimoto, Shunji","A synchrotron X-ray study of triclinic LiCa~2~Nb~3~O~10~ with perovskite-type slabs","Acta Crystallographica Section C","2001","57","9","1006","1009","10.1107/S0108270101009453","","","0.75008","synchrotron","","0.059","0.051","","","","0.169","","","","","","0.941","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012181","8.2596","0.0004","6.8752","0.0003","7.1394","0.0003","90","","103.121","0.002","90","","394.84","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl In O3 Te -","- Cl In O3 Te -","- Cl4 In4 O12 Te4 -","4","1","BR1338","Gaudin, Etienne; Chaminade, Jean-Pierre; El Abed, Ahmed; Darriet, Jacques","Indium tellurium trioxide chloride, InTeO~3~Cl","Acta Crystallographica Section C","2001","57","9","1004","1005","10.1107/S0108270101009325","","","0.71073","MoKα","","0.047","0.037","","","","0.093","","","","","","1.3","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012182","5.826","0.0005","5.252","0.0007","5.832","0.0007","90","","113.86","0.02","90","","163.2","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Anhydrous cadmium oxalate","Anhydrous cadmium oxalate","","- C2 Cd O4 -","- C2 Cd O4 -","- C4 Cd2 O8 -","2","0.5","BR1339","Jeanneau, Erwann; Audebrand, Nathalie; Louër, Daniel","β-CdC~2~O~4~","Acta Crystallographica Section C","2001","57","9","1012","1013","10.1107/S0108270101009581","","","0.71073","MoKα","","0.032","0.022","","","","0.055","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012183","5.172","0.003","5.172","0.003","4.141","0.002","90","","90","","120","","95.93","0.09","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","Yttrium tricopper dialuminium","","- Al2.04 Cu2.96 Y -","- Al2.07 Cu2.942 Y -","- Al2.07 Cu2.942 Y -","1","0.0416667","BR1341","Karim, Kadir; Tetsuo, Sakai; Itsuki, Uehara; Lars, Eriksson","YCu~3~Al~2~, an example of an <i>AB</i>~5~ structure type","Acta Crystallographica Section C","2001","57","9","999","1000","10.1107/S0108270101010009","","","0.71073","MoKα","","0.0218","0.0206","","","","0.0552","","","","","","1.376","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012184","13.849","0.001","7.565","0.001","18.554","0.005","90","","101.9","0.01","90","","1902.1","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(H-thiamine)bis(tetrafluoroborate)","3-[(4-amino-2-methyl-5-pyrimidinio)methyl]-5-(2-hydroxyethyl)- 4-methylthiazolium(2+) bis(tetrafluoroborate)","","- C12 H18 B2 F8 N4 O S -","- C12 H18 B2 F8 N4 O S -","- C48 H72 B8 F32 N16 O4 S4 -","4","1","DA1186","Hu, Ning-Hai; Aoki, Katsuyuki; Adeyemo, Adegboye O.; Williams, George N.","Host‒guest-like thiamine‒anion complexation in thiaminium bis(tetrafluoroborate)","Acta Crystallographica Section C","2001","57","9","1064","1066","10.1107/S0108270101009222","","","0.71073","MoKα","","0.1332","0.0552","","","","0.124","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012185","15.5712","0.0008","11.5546","0.0006","11.2428","0.0006","90","","97.076","0.001","90","","2007.39","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N7 Ni2 O -","- C9.5 H6.5 N3.5 Ni O0.5 -","- C76 H52 N28 Ni8 O4 -","8","1","DA1188","Woodward, Jonathan D.; Backov, Rénal; Abboud, Khalil A.; Talham, Daniel R.","[Ni(terpy)(H~2~O)]-<i>trans</i>-[Ni-(μ-CN)~2~-(CN)~2~]~<i>n~</i>, a one-dimensional linear tetracyanonickelate chain","Acta Crystallographica Section C","2001","57","9","1027","1029","10.1107/S0108270101009234","","","0.71073","MoKα","","0.0549","0.0309","","","","0.0721","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012186","7.445","0.0002","9.52","0.0003","10.939","0.0003","105.051","0.002","103.154","0.002","93.083","0.002","723.8","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","6-dehydroxyjacareubin","1,5-dihydroxy-2^,^,2^,^-dimethylpyrano-5^,^,6^,^:2,3-xanthone","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","DA1189","Doriguetto, Antonio C.; Santos, Marcelo H.; Ellena, Javier A.; Nagem, Tanus J.","6-Deoxyjacareubin","Acta Crystallographica Section C","2001","57","9","1095","1097","10.1107/S0108270101009246","","","0.7107","MoKα","","0.0661","0.0514","","","","0.1502","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012187","22.759","0.005","13.618","0.002","15.813","0.003","90","","104.34","0.01","90","","4748.3","1.6","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetraphenylphosphonium) (trioxalato-O,O')germanate(IV)","","- C54 H40 Ge O12 P2 -","- C54 H40 Ge O12 P2 -","- C216 H160 Ge4 O48 P8 -","4","0.5","DA1190","Dean, Philip A. W.; Dance, Ian G.; Craig, Donald C.; Scudder, Marcia L.","Bis(tetraphenylphosphonium) tris(oxalato-<i>O</i>,<i>O</i>')germanate(IV)","Acta Crystallographica Section C","2001","57","9","1030","1031","10.1107/S0108270101009258","","","1.5418","CuKα","","","0.034","","","","0.05","","","","","","1.78","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012188","10.906","0.002","8.052","0.004","17.195","0.003","90","","95.98","0.02","90","","1501.8","0.8","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-4-oxa-1-decalinol p-bromobenzoate","cis-4-oxa-1-decalinyl p-bromobenzoate","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C64 H76 Br4 O12 -","4","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.322","0.042","","","","0.109","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012189","9.643","0.002","10.679","0.002","8.772","0.002","96.32","0.02","111.32","0.02","110.49","0.02","758.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","trans-4-oxa-1-decalinol p-bromobenzoate","trans-4-oxa-1-decalinyl p-bromobenzoate","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C32 H38 Br2 O6 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.165","0.039","","","","0.13","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012190","11.914","0.003","13.144","0.003","6.922","0.002","96.06","0.02","106.22","0.02","100.42","0.03","1009.6","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","N-benzyl-cis-4-aza-1-decalinol p-bromobenzoate","N-benzyl-cis-4-aza-1-decalinyl p-bromobenzoate","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C46 H52 Br2 N2 O4 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.207","0.04","","","","0.11","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012191","9.561","0.002","9.822","0.002","13.202","0.003","78.34","0.02","78.21","0.02","61.92","0.03","1062.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N-benzyl-trans-4-aza-1-decalinol p-bromobenzoate","N-benzyl-trans-4-aza-1-decalinyl p-bromobenzoate","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C46 H52 Br2 N2 O4 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","1.54178","CuKα","","0.074","0.046","","","","0.135","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012192","8.886","0.002","5.3714","0.0009","16.599","0.003","90","","92.7","0.02","90","","791.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-4-thia-1-decalinol p-bromobenzoate","trans-4-thia-1-decalinyl p-bromobenzoate","","- C16 H19 Br O2 S -","- C16 H19 Br O2 S -","- C32 H38 Br2 O4 S2 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","1.54178","CuKα","","0.051","0.048","","","","0.133","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012193","12.329","0.01","20.245","0.01","31.691","0.01","90","","90","","90","","7910","8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Amphisin tetrahydrate","R-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Asp tetrahydrate","","- C66 H122 N12 O24 -","- C66 H116 N12 O24 -","- C264 H464 N48 O96 -","4","1","DA1195","Sørensen, Dan; Nielsen, Tommy H.; Christophersen, Carsten; Sørensen, Jan; Gajhede, Michael","Cyclic lipoundecapeptide amphisin from <i>Pseudomonas</i> sp. strain DSS73","Acta Crystallographica Section C","2001","57","9","1123","1124","10.1107/S0108270101010782","","","0.71075","MoKα","","0.0566","0.0437","","","","0.1571","","","","","","0.863","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012194","7.3677","0.0009","10.054","0.001","16.834","0.002","90","","90","","90","","1247","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1248","0.037","","0.1314","","0.1031","","","0.984","","","0.984","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012195","10.2455","0.0009","12.664","0.001","27.446","0.003","90","","97.441","0.009","90","","3531.1","0.6","293","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C144 H160 N16 O48 -","8","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1152","0.0442","","0.1393","","0.1129","","","1.008","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2012196","15.3399","0.0013","16.2211","0.0013","15.6888","0.0013","90","","113.101","0.001","90","","3590.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl3 N O4 P2 S -","- C37 H32 Cl3 N O4 P2 S -","- C148 H128 Cl12 N4 O16 P8 S4 -","4","1","DE1168","Guzei, Ilia A.; Dougan, Jeffrey S.; Treichel, Paul M. Jr","Hydrogen bonding in bis(triphenylphosphine-<i>P</i>)iminium hydrogensulfate chloroform solvate","Acta Crystallographica Section C","2001","57","9","1060","1061","10.1107/S0108270101006710","","","0.71073","MoKα","","0.0942","0.0612","","","","0.153","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012197","7.415","0.0003","7.9299","0.0003","8.8881","0.0004","81.578","0.002","69.26","0.002","85.453","0.002","483.27","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Bis(2,4,7-trimethylindenyl)cobalt(II)","","- C24 H26 Co -","- C24 H26 Co -","- C24 H26 Co -","1","0.5","DE1172","Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.","Bis(2,4,7-trimethylindenyl)cobalt(II) and <i>rac</i>-2,2',4,4',7,7'-hexamethyl-1,1'-biindene","Acta Crystallographica Section C","2001","57","9","1056","1059","10.1107/S010827010100974X","","","0.71073","MoKα","","0.033","0.0309","","","","0.0744","","","","","","1.131","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012198","12.1229","0.0004","9.688","0.0004","15.7045","0.0006","90","","102.942","0.002","90","","1797.59","0.12","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","rac-1,1'-Bis(2,4,7-trimethylindene)","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","1","DE1172","Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.","Bis(2,4,7-trimethylindenyl)cobalt(II) and <i>rac</i>-2,2',4,4',7,7'-hexamethyl-1,1'-biindene","Acta Crystallographica Section C","2001","57","9","1056","1059","10.1107/S010827010100974X","","","0.71073","MoKα","","0.11","0.0476","","","","0.1147","","","","","","0.953","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012199","7.679","0.001","14.644","0.002","12.461","0.001","90","","96.43","0.01","90","","1392.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.046","0.033","","","","0.077","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012200","8.72","0.001","18.17","0.003","9.589","0.002","90","","100.13","0.02","90","","1495.6","0.4","248","2","248","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid monohydrate","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid monohydrate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.088","0.052","","","","0.103","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012201","11.21","0.004","17.709","0.003","9.2126","0.0016","90","","107.423","0.019","90","","1745","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H62 Cl2 Cu N6 O10 -","- C24 H62 Cl2 Cu N6 O10 -","- C48 H124 Cl4 Cu2 N12 O20 -","2","0.5","FR1322","Choi, Ki-Young; Kim, Yong-Son; Choo, Geum-Hong; Kim, Jin-Gyu; Suh, Il-Hwan","[2,13-Bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane]copper(II) dichloride octahydrate","Acta Crystallographica Section C","2001","57","9","1014","1015","10.1107/S0108270101004024","","","0.71073","MoKα","","0.047","0.035","","","","0.092","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012202","23.441","0.003","10.1303","0.0014","13.5222","0.0017","90","","73.822","0.01","90","","3083.9","0.7","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 S4 -","- C17 H10 S4 -","- C136 H80 S32 -","8","2","FR1332","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5,6-Diphenylthieno[2,3-<i>d</i>][1,3]dithiole-2-thione","Acta Crystallographica Section C","2001","57","9","1125","1126","10.1107/S0108270101010988","","","0.71073","MoKα","","","0.0334","","","","0.0985","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012203","10.281","0.002","17.244","0.003","26.382","0.005","90","","90","","90","","4677.1","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C192 H160 Cl16 Pt8 S16 -","8","1","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","<i>Cis</i>- and <i>trans</i>-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.0759","0.0454","","","","0.1061","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012204","5.8742","0.0012","16.98","0.003","11.733","0.002","90","","97.99","0.03","90","","1158.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C48 H40 Cl4 Pt2 S4 -","2","0.5","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","<i>Cis</i>- and <i>trans</i>-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.049","0.0361","","","","0.0997","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012205","7.4906","0.0002","10.2409","0.0002","13.1449","0.0003","104.961","0.0009","90.7398","0.0009","101.245","0.0009","953.34","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","5-(ethylcarboxylate)-6-methoxy-2-pyrimidinamine","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","2","GD1162","Garcia, Celeste; Quesada, Antonio; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Cannon, Debbie; Low, John Nicolson","Ethyl 6-amino-2-methoxypyridine-3-carboxylate, interplay of molecular and supramolecular structure","Acta Crystallographica Section C","2001","57","9","1103","1105","10.1107/S0108270101010228","","","0.71073","MoKα","","0.0614","0.0509","","","","0.142","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012206","12.7183","0.0002","15.3106","0.0003","12.8865","0.0002","90","","90.482","0.0009","90","","2509.23","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetra(2-Amino-5-methyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride hydrate","","- C12 H22 Cl2 Cu N12 O S4 -","- C12 H22 Cl2 Cu N12 O S4 -","- C48 H88 Cl8 Cu4 N48 O4 S16 -","4","1","GG1063","Lynch, Daniel E.; Ewington, Jonathan","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride","Acta Crystallographica Section C","2001","57","9","1032","1035","10.1107/S0108270101009489","","","0.71073","MoKα","","0.0558","0.0391","","","","0.1048","","","","","","0.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012207","12.3273","0.0017","12.3273","0.0017","17.705","0.004","90","","90","","90","","2690.5","0.8","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","tetra(2-amino-5-ethyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride","","- C16 H28 Cl2 Cu N12 S4 -","- C16 H28 Cl2 Cu N12 S4 -","- C64 H112 Cl8 Cu4 N48 S16 -","4","0.25","GG1063","Lynch, Daniel E.; Ewington, Jonathan","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride","Acta Crystallographica Section C","2001","57","9","1032","1035","10.1107/S0108270101009489","","","0.71073","MoKα","","0.041","0.0322","","","","0.088","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012208","9.6242","0.0002","11.9846","0.0003","14.5866","0.0003","90","","106.105","0.0017","90","","1616.42","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(4-methylpentane-2-onato-C^4^,O)tin(IV)","","- C12 H22 Cl2 O2 Sn -","- C12 H22 Cl2 O2 Sn -","- C48 H88 Cl8 O8 Sn4 -","4","1","GG1064","Howie, R. Alan; Wardell, James L.","Dichlorobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV) and bis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S,S</i>')tin(IV) at 150K","Acta Crystallographica Section C","2001","57","9","1041","1043","10.1107/S0108270101009659","","","0.71073","MoKα","","0.0348","0.0279","","","","0.0743","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012209","11.067","0.0002","15.4499","0.0004","12.2682","0.0002","90","","94.7892","0.0016","90","","2090.34","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato- S,S')tin(IV)","","- C15 H22 O2 S5 Sn -","- C15 H22 O2 S5 Sn -","- C60 H88 O8 S20 Sn4 -","4","1","GG1064","Howie, R. Alan; Wardell, James L.","Dichlorobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV) and bis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S,S</i>')tin(IV) at 150K","Acta Crystallographica Section C","2001","57","9","1041","1043","10.1107/S0108270101009659","","","0.71073","MoKα","","0.038","0.0289","","","","0.0678","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012210","11.137","0.002","12.671","0.003","14.409","0.003","64.28","0.03","85.77","0.03","78.28","0.03","1793.5","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate","","- C26 H38 Cl2 N10 O8 Pt S2 -","- C26 H38 Cl2 N10 O8 Pt S2 -","- C52 H76 Cl4 N20 O16 Pt2 S4 -","2","1","GG1066","Daniel E. Lynch; Helen L. Duckhouse","<i>trans</i>-Bis(2-amino-6-nitro-1,3-benzothiazole-<i>N</i>)dichloroplatinum(II) tetrakis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^4^)platinum(II) hexachloroplatinate(IV) bis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate","Acta Crystallographica Section C","2001","57","9","1036","1038","10.1107/S0108270101009933","","","0.71073","MoKα","","0.0449","0.037","","","","0.0938","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012211","9.0397","0.0004","9.3009","0.0004","11.5241","0.0005","109.027","0.002","91.85","0.003","91.785","0.003","914.61","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate","","- C18 H34 Cl6 N14 O2 Pt2 S4 -","- C18 H34 Cl6 N14 O2 Pt2 S4 -","- C18 H34 Cl6 N14 O2 Pt2 S4 -","1","0.5","GG1066","Daniel E. Lynch; Helen L. Duckhouse","<i>trans</i>-Bis(2-amino-6-nitro-1,3-benzothiazole-<i>N</i>)dichloroplatinum(II) tetrakis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^4^)platinum(II) hexachloroplatinate(IV) bis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate","Acta Crystallographica Section C","2001","57","9","1036","1038","10.1107/S0108270101009933","","","0.71073","MoKα","","0.069","0.0478","","","","0.1352","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012212","7.5309","0.0016","9.5789","0.0014","13.893","0.002","80.234","0.009","82.252","0.014","73.959","0.01","945.1","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","N-[5-(4-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","JZ1466","Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.","Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions","Acta Crystallographica Section C","2001","57","9","1081","1083","10.1107/S0108270101009465","","","0.71073","MoKα","","0.0771","0.0465","","","","0.1073","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012213","7.6526","0.0013","9.679","0.002","13.6308","0.0019","79.91","0.013","75.152","0.013","74.435","0.012","934","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","N-[5-(2-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","JZ1466","Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.","Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions","Acta Crystallographica Section C","2001","57","9","1081","1083","10.1107/S0108270101009465","","","0.71073","MoKα","","0.0629","0.0412","","","","0.0941","","","","","","1.036","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012214","11.603","0.004","7.596","0.001","24.11","0.004","90","","96.44","0.02","90","","2111.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4'-{[benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide","","- C22 H18 Cl N3 O4 S -","- C22 H18 Cl N3 O4 S -","- C88 H72 Cl4 N12 O16 S4 -","4","1","JZ1471","Wolf, Wojciech M.","X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","2001","57","9","1112","1115","10.1107/S0108270101010642","","","0.71073","MoKα","","0.087","0.05","","","","0.135","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012215","11.4897","0.0012","7.4158","0.0009","25.507","0.003","90","","91.53","0.03","90","","2172.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","","- C23 H21 N3 O5 S -","- C23 H21 N3 O5 S -","- C92 H84 N12 O20 S4 -","4","1","JZ1471","Wolf, Wojciech M.","X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","2001","57","9","1112","1115","10.1107/S0108270101010642","","","0.71073","MoKα","","0.07","0.042","","","","0.127","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012216","11.0203","0.0011","12.239","0.0013","15.354","0.0015","66.785","0.007","83.551","0.005","72.854","0.008","1818.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-2,3-dimethoxybenzoato)-κ^4^O:O';κ^6^O,O':O'- bis[(2,2'-bipyridine-N,N')(2,3-dimethoxybenzoato-O,O')lanthanum(III)]","","- C74 H70 La2 N4 O24 -","- C74 H70 La2 N4 O24 -","- C74 H70 La2 N4 O24 -","1","0.5","NA1525","Zou, Ying-Quan; Li, Xia; Li, Yan; Hu, Huai-Ming","Tetrakis(μ-2,3-dimethoxybenzoato)bis[(2,2'-bipyridine)(2,3-dimethoxybenzoato)lanthanum(III)]","Acta Crystallographica Section C","2001","57","9","1048","1050","10.1107/S0108270101009337","","","0.71073","MoKα","","0.037","0.035","","","","0.091","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012217","11.295","0.001","11.295","0.001","9.2","0.001","90","","90","","90","","1173.71","0.19","293","2","293","2","","","","","","","","5","I 4","I 4","79","","Trans-dichloro-tetrakis(N^1^-4-methyl-1,3-pyrimidine- ruthenium(II)","","- C20 H24 Cl2 N8 Ru -","- C20 H24 Cl2 N8 Ru -","- C40 H48 Cl4 N16 Ru2 -","2","0.25","NA1526","Bellucci, Cinzia; Cini, Renzo","<i>trans</i>-Dichlorotetrakis(4-methylpyrimidine-<i>N</i>^1^)ruthenium(II)","Acta Crystallographica Section C","2001","57","9","1039","1040","10.1107/S0108270101009647","","","0.71073","MoKα","","0.0357","0.0292","","","","0.0593","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012218","12.441","0.002","17.667","0.004","7.137","0.001","90","","114.99","0.03","90","","1421.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","melaminium chloride hemihydrate","2,4,6-triamino-1,3,5-triazine-1-ium chloride hemihydrate","","- C3 H8 Cl N6 O0.5 -","- C3 H8 Cl N6 O0.5 -","- C24 H64 Cl8 N48 O4 -","8","1","NA1530","Jan Janczak; Genivaldo Julio Perpétuo","Melaminium chloride hemihydrate","Acta Crystallographica Section C","2001","57","9","1120","1122","10.1107/S0108270101011283","","","0.71073","MoKα","","0.0579","0.0289","","","","0.054","","","","","","1.004","","","","has coordinates,has Fobs","197922","2020-10-21","18:00:00",""
"2012219","12.522","0.002","10.7827","0.0012","4.8838","0.0006","90","","93.23","0.004","90","","658.37","0.15","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzimidazolium 3-nitrobenzoate","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C28 H22 N6 O8 -","2","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.073","0.048","","","","0.113","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012220","13.8524","0.0005","7.6666","0.0004","12.5193","0.0007","90","","94.14","0.0017","90","","1326.09","0.11","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzimidazolium 4-nitrobenzoate","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.075","0.053","","","","0.153","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012221","14.342","0.003","5.218","0.001","18.161","0.004","90","","105.4","0.01","90","","1310.3","0.5","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzotriazole 3-nitrobenzoic acid clathrate","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.123","0.072","","","","0.184","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012222","5.826","0.002","23.411","0.007","7.556","0.002","90","","90.53","0.03","90","","1030.5","0.5","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Imidazolium 3-nitrobenzoate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C40 H36 N12 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.147","0.044","","","","0.131","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012223","7.5395","0.0007","11.8374","0.0015","5.9689","0.0012","100.145","0.014","90.731","0.013","102.998","0.009","510.19","0.13","297","","297","","","","","","","","","4","P -1","-P 1","2","","Imidazolium 4-nitrobenzoate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.106","0.047","","","","0.14","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012224","5.639","0.003","15.073","0.008","21.113","0.007","90","","90","","90","","1794.5","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","SK1479","Drouard, David; Py, Sandrine; Averbuch, Marie-Thérèse; Philouze, Christian; Vallée, Yannick","(1<i>S</i>)-(<i>Z</i>)-2-Benzyloxy-<i>N</i>-(3-methyl-1-butylidene)-1-phenylethylamine <i>N</i>-oxide","Acta Crystallographica Section C","2001","57","9","1079","1080","10.1107/S0108270101009477","","","0.71073","MoKα","","0.0556","0.0556","","0.0397","","0.0397","","","1.995","","","1.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012225","11.583","0.001","12.842","0.002","20.728","0.003","96.7","0.01","98.76","0.01","113.2","0.01","2747.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(μ-dicyclohexylphosphine)-heptacarbonyl-eq-triphenylphosphine- triphenylphosphine-silver-manganese-rhenium","","- C55 H52 Ag Mn O7 P3 Re -","- C55 H52 Ag Mn O7 P3 Re -","- C110 H104 Ag2 Mn2 O14 P6 Re2 -","2","1","SK1486","Flörke, Ulrich; Petters, Dina","The first example of a silver‒manganese‒rhenium cluster complex: heptacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>-bis(triphenylphosphine)-1κ<i>P</i>,3κ<i>P</i>-<i>triangulo</i>-manganeserheniumsilver with disordered solvent","Acta Crystallographica Section C","2001","57","9","1044","1045","10.1107/S0108270101009696","","","0.71073","MoKα","","0.0671","0.0383","","","","0.0866","","","","","","0.893","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012226","13.4836","0.0003","13.1345","0.0003","14.6532","0.0003","90","","102.057","0.0013","90","","2537.84","0.1","120","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl N O4 S -","- C28 H28 Cl N O4 S -","- C112 H112 Cl4 N4 O16 S4 -","4","1","SK1487","Vega, Daniel; Fernández, Daniel; Ellena, Javier A.","1-(2-{4-[6-Hydroxy-2-(4-hydroxyphenyl)benzo[<i>b</i>]thiol-3-ylcarbonyl]phenoxy}ethyl)piperidinium chloride","Acta Crystallographica Section C","2001","57","9","1092","1094","10.1107/S0108270101009763","","","0.71073","MoKα","","","0.0438","","","","0.1422","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012227","8.8407","0.0001","10.5562","0.0001","28.2974","0.0004","90","","90","","90","","2640.83","0.05","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside","","- C20 H28 Cl I O13 -","- C20 H28 Cl I O13 -","- C80 H112 Cl4 I4 O52 -","4","1","SK1489","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","3-<i>O</i>-Acetyl-4-deoxy-4-iodo-β-<small>D</small>-fructofuranosyl 2,3,6-tri-<i>O</i>-acetyl-4-chloro-4-deoxy-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2001","57","9","1098","1100","10.1107/S0108270101009994","","","0.71073","MoKα","","0.0443","0.0347","","","","0.076","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012228","9.2081","0.0004","9.4835","0.0004","11.1287","0.0006","100.574","0.001","101.751","0.001","111.882","0.001","846.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (SR)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl- 1,9-phenanthroline-6-carboxylate","","- C16 H19 Cl N2 O4 -","- C16 H19 Cl N2 O4 -","- C32 H38 Cl2 N4 O8 -","2","1","SK1492","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Sarkar, Tarun K.; Basak, Sankar; Nigam, Gur Dayal","Methyl (<i>SR</i>)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl-1,9-phenanthroline-6-carboxylate","Acta Crystallographica Section C","2001","57","9","1116","1117","10.1107/S0108270101010770","","","0.71073","MoKα","","0.111","0.076","","","","0.209","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012229","6.2303","0.0001","20.561","0.0003","10.7476","0.0002","90","","96.665","0.001","90","","1367.48","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Methano-11a-methyl-2,3,4,4a,11,11a-hexahydro-1H-benzo[b]fluoren-11-one","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","2","SK1493","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Sujit K. Ghorai; Dipakranjan Mal; Hoong-Kun Fun; Gur Dayal Nigam","1,4-Methano-11a-methyl-4,4a,11,11a-tetrahydro-1<i>H</i>-benzo[<i>b</i>]fluoren-11-one","Acta Crystallographica Section C","2001","57","9","1118","1119","10.1107/S0108270101010976","","","0.71073","MoKα","","0.0659","0.0516","","","","0.131","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012230","7.2343","0.0013","26.691","0.004","12.745","0.002","90","","104.51","0.016","90","","2382.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N6 Ni O2 S4 -","- C21 H13 N6 Ni O2 S4 -","- C84 H52 N24 Ni4 O8 S16 -","4","1","TA1318","Ren, Xiao-Ming; Li, Hai-Fang; Wu, Pei-Heng; Meng, Qing-Jin","2-Methyl-1-(4-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate(III)","Acta Crystallographica Section C","2001","57","9","1022","1024","10.1107/S0108270101009064","","","0.71073","MoKα","","0.0917","0.0479","","","","0.1241","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012231","14.722","0.001","10.225","0.001","22.319","0.002","90","","100.35","0.01","90","","3305.1","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Porphycene","Chloro[(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato)iron(III)] chloroform solvate","","- C33 H37 Cl4 Fe N4 -","- C33 H37 Cl4 Fe N4 -","- C132 H148 Cl16 Fe4 N16 -","4","1","TA1328","Ohgo, Yoshiki; Neya, Saburo; Ikeue, Takahisa; Funasaki, Noriaki; Nakamura, Mikio","Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-κ^4^<i>N</i>)iron(III) chloroform solvate","Acta Crystallographica Section C","2001","57","9","1046","1047","10.1107/S0108270101009842","","","0.71069","MoKα","","0.1039","0.07","","","","0.2053","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012232","6.5376","0.0003","11.8766","0.001","13.5312","0.0015","90","","91.197","0.012","90","","1050.39","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-Oxo-16-(2-pyridylmethylene)-androst-5-en-3β-ol monohydrate","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C50 H66 N2 O6 -","2","1","VJ1136","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jindal, D. P.; Dubey, S.","17-Oxo-16-(2-pyridylmethylene)androst-5-en-3β-ol monohydrate","Acta Crystallographica Section C","2001","57","9","1062","1063","10.1107/S010827010100912X","","","1.5418","CuKα","","0.0422","0.0389","","","","0.1165","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012233","7.734","0.005","8.432","0.003","9.782","0.004","95.88","0.04","112.78","0.04","92.09","0.04","583","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper(II) acetate 4-cyanopyridine adduct","tetrakis(μ-acetato-O,O')bis(4-cyanopyridine-N)dicopper(II)","","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","1","0.5","VJ1144","Das, Birinchi K.; Barman, Rama K.","Tetrakis(μ-acetato-<i>O</i>,<i>O</i>')bis[(4-cyanopyridine-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2001","57","9","1025","1026","10.1107/S0108270101009052","","","0.7107","MoKα","","0.031","0.026","","","","0.072","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012234","13.0982","0.0003","12.8311","0.0003","17.8255","0.0003","90","","91.6958","0.0012","90","","2994.52","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate","","- C25 H22 Ce N9 O12 -","- C25 H22 Ce N9 O12 -","- C100 H88 Ce4 N36 O48 -","4","1","AV1079","Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles","Pyridinium tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerate(III) pyridine solvate and bis(methanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerium(III)","Acta Crystallographica Section C","2001","57","10","1141","1143","10.1107/S0108270101010678","","","0.71073","MoKα","","0.066","0.042","","","","0.082","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012235","7.746","0.0002","12.228","0.0003","12.3405","0.0003","91.253","0.002","103.238","0.002","96.51","0.002","1129.09","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N) cerium(III)","","- C17 H19 Ce N6 O11 -","- C17 H19 Ce N6 O11 -","- C34 H38 Ce2 N12 O22 -","2","1","AV1079","Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles","Pyridinium tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerate(III) pyridine solvate and bis(methanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerium(III)","Acta Crystallographica Section C","2001","57","10","1141","1143","10.1107/S0108270101010678","","","0.71073","MoKα","","0.035","0.033","","","","0.087","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012236","7.116","0.002","9.452","0.002","13.895","0.003","86.43","0.02","84.17","0.02","68.42","0.02","864.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2-hydroxy-5-nitrophenyl)-1H-tetrazole","","- C7 H5 N5 O3 -","- C7 H5 N5 O3 -","- C28 H20 N20 O12 -","4","2","AV1080","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.","4-Nitro-2-(1<i>H</i>-tetrazol-1-yl)phenol","Acta Crystallographica Section C","2001","57","10","1204","1206","10.1107/S0108270101012100","","","0.71069","MoKα","","0.0599","0.0451","","","","0.1433","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012237","4.3449","0.0002","6.2955","0.0003","8.5432","0.0005","105.24","0.005","92.743","0.004","96.356","0.004","223.36","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Amino-2-nitraminoethane","","- C2 H7 N3 O2 -","- C2 H7 N3 O2 -","- C4 H14 N6 O4 -","2","1","AV1081","Vasiliev, Alexander D.; Astachov, Alexander M.; Kekin, Yuri V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","1-Amino-2-nitraminoethane","Acta Crystallographica Section C","2001","57","10","1192","1193","10.1107/S0108270101011404","","","1.5418","CuKα","","0.032","0.029","","","","0.082","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012238","8.502","0.008","10.939","0.014","11.814","0.007","66.39","0.09","81.63","0.07","81.74","0.1","991.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H64 N12 O6 P4 -","- C30 H64 N12 O6 P4 -","- C30 H64 N12 O6 P4 -","1","0.5","AV1085","Öztürk, Levent; Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel","<i>trans</i>-2,4,4,6,8,8-Hexamorpholino-2,6-bis(<i>n</i>-propylamino)cyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","2001","57","10","1228","1230","10.1107/S010827010101441X","","","0.71073","MoKα","","0.1245","0.069","","","","0.1828","","","","","","0.885","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012239","6.463","0.0003","8.308","0.0005","16.353","0.0009","77.095","0.003","86.747","0.003","67.554","0.003","790.65","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine-butane-2,3-dione monoxime (1/1)","","- C13 H26 N4 O3 -","- C13 H26 N4 O3 -","- C26 H52 N8 O6 -","2","1","BJ1033","Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Johnston, Andrew","2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine‒butane-2,3-dione monooxime (1/1)","Acta Crystallographica Section C","2001","57","10","1222","1224","10.1107/S0108270101012926","","","0.71069","MoKα","","","0.045","","","","0.048","","","","","","0.942","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012240","5.4565","0.0005","7.3922","0.0007","13.4798","0.0012","99.197","0.002","90.039","0.002","101.465","0.002","525.72","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(BPDS)(β-Alanine)2","Bis(β-alaninium) 4,4'-biphenyldisulfonate","","- C18 H24 N2 O10 S2 -","- C18 H24 N2 O10 S2 -","- C18 H24 N2 O10 S2 -","1","0.5","BK1608","Liao, Cheng-Zhu; Feng, Xiao-Long; Yao, Jun-Hua; Cai, Jiwen","Bis(β-alaninium) biphenyl-4,4'-disulfonate","Acta Crystallographica Section C","2001","57","10","1215","1216","10.1107/S0108270101012355","","","0.71073","MoKα","","0.039","0.035","","","","0.114","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012241","21.565","0.004","9.002","0.002","18.396","0.004","90","","105.93","0.03","90","","3434","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tricarbonyl-tris(pyrazol-1-yl)methane rhenium(I) bromide","tricarbonyl-tris(pyrazol-1-yl)methane rhenium(I) bromide","","- C13 H10 Br N6 O3 Re -","- C13 H10 Br N6 O3 Re -","- C104 H80 Br8 N48 O24 Re8 -","8","1","BK1610","Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang","Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) iodide ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1135","1137","10.1107/S0108270101009349","","","0.71073","MoKα","","0.047","0.029","","","","0.071","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012242","12.361","0.003","11.803","0.002","15.543","0.003","90","","108.83","0.03","90","","2146.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol hemisolvate","tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol solvate","","- C15 H15 I N6 O3.5 Re -","- C15 H12 I N6 O3.5 Re -","- C60 H48 I4 N24 O14 Re4 -","4","1","BK1610","Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang","Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) iodide ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1135","1137","10.1107/S0108270101009349","","","0.71073","MoKα","","0.056","0.045","","","","0.123","","","","","","1.121","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012243","9.0151","0.0007","12.7805","0.0014","10.64","0.0012","90","","105.497","0.007","90","","1181.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2-phenylsulfanyl)phenyl]ethanone","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in <i>S</i>-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0452","0.0386","","","","0.1102","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012244","7.8838","0.0018","14.719","0.003","21.277","0.004","90","","90","","90","","2469","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2-phenylmethylsulfanyl)phenyl]ethanone","","- C15 H14 O S -","- C15 H14 O S -","- C120 H112 O8 S8 -","8","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in <i>S</i>-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0415","0.0328","","","","0.0868","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012245","17.146","0.002","10.938","0.0016","18.965","0.009","90","","109.96","0.02","90","","3343.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-benzoyl-1,3,5-O-methylidyneinositol 4,6-cyclophosphate, potassium- 18-crown-6 salt","","- C26 H42 K O18 P -","- C26 H36 K O18 P -","- C104 H144 K4 O72 P4 -","4","1","BM1456","Kumara Swamy, K. C.; Kumaraswamy, Sudha","A potassium‒18-crown-6 salt of a cyclic <i>myo</i>-inositol phosphate","Acta Crystallographica Section C","2001","57","10","1147","1148","10.1107/S0108270101011222","","","0.71073","MoKα","","0.1242","0.0588","","","","0.1981","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012246","8.352","0.005","8.352","0.005","8.352","0.005","90","","90","","90","","582.6","0.6","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tripotassium trioxoantimonate(III)","","- K3 O3 Sb -","- K3 O3 Sb -","- K12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), <i>A</i>~3~[SbO~3~] (<i>A</i> = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.045","0.026","","","","0.054","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012247","9.1369","0.001","9.1369","0.001","9.1369","0.001","90","","90","","90","","762.78","0.14","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tricaesium trioxoantimonate(III)","","- Cs3 O3 Sb -","- Cs3 O3 Sb -","- Cs12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), <i>A</i>~3~[SbO~3~] (<i>A</i> = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.023","0.014","","","","0.036","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012248","6.1677","0.0001","15.7416","0.0003","10.5141","0.0002","90","","90.763","0.001","90","","1020.72","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamoyl shikonin","1-(5,8-dihydro-1,4-dihydroxy-5,8-dioxo-2-naphthyl)-4-methylpent-3-en-1-yl cinnamate","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","DE1171","Sarkhel, Sanjay; Shefali; Mathad, Vijayvitthal T.; Raj, Kanwal; Bhaduri, Amiya P.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.","Cinnamoyl shikonin","Acta Crystallographica Section C","2001","57","10","1199","1200","10.1107/S0108270101011842","","","0.71073","MoKα","","0.05","0.041","","","","0.096","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012249","14.329","0.003","5.2662","0.0011","9.1129","0.0018","90","","119.1","0.03","90","","600.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Glycine sodium nitrate","","- C2 H5 N2 Na O5 -","- C2 H5 N2 Na O5 -","- C8 H20 N8 Na4 O20 -","4","1","FG1628","Krishnakumar, R. V.; Nandhini, M. Subha; Natarajan, S.; Sivakumar, K.; Varghese, Babu","Glycine sodium nitrate","Acta Crystallographica Section C","2001","57","10","1149","1150","10.1107/S0108270101011520","","","0.71073","MoKα","","0.029","0.029","","","","0.078","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012250","9.257","0.006","10.483","0.002","10.6838","0.0017","103.807","0.012","92.84","0.03","103.09","0.05","974.7","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","fac-Re(CO)3~dpk.oxime)Cl.dmso","fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate","","- C16 H15 Cl N3 O5 Re S -","- C16 H15 Cl N3 O5 Re S -","- C32 H30 Cl2 N6 O10 Re2 S2 -","2","1","FG1636","Bakir, Mohammed","The first pyridyl <i>N</i>,<i>N</i>'-coordinated di-2-pyridyl ketone oxime, <i>fac</i>-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","10","1154","1156","10.1107/S0108270101009593","","","0.71073","MoKα","","0.036","0.033","","","","0.096","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012251","11.8728","0.0017","12.5961","0.0017","13.903","0.002","91.553","0.002","105.95","0.002","115.017","0.002","1786.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Cu(en)2(H2O)2][Ni(en)3]2(2,6nds)3.4H2O","Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate","","- C46 H94 Cu N16 Ni2 O24 S6 -","- C46 H94 Cu N16 Ni2 O24 S6 -","- C46 H94 Cu N16 Ni2 O24 S6 -","1","0.5","FR1340","Cai, Jiwen; Feng, Xiao-Long; Hu, Xiao-Peng","Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate","Acta Crystallographica Section C","2001","57","10","1168","1170","10.1107/S0108270101013324","","","0.71073","MoKα","","0.0437","0.0369","","","","0.1114","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012252","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","11","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","","0.71073","MoKα","","0.029","0.022","","","","0.051","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012253","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","20","","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","neutron","","pulsedneutron","","0.115","0.072","","","0.059","","","","1.58","","","1.439","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012254","10.477","0.001","13.523","0.002","10.058","0.001","90","","110.07","0.01","90","","1338.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxy-5-(2-pyridinio)-6-(2-pyridyl)pyrazine-2-carboxylate","","- C16 H10 N4 O4 -","- C16 H10 N4 O4 -","- C64 H40 N16 O16 -","4","1","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.12","0.049","","","","0.092","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012255","19.5883","0.0017","8.0623","0.0005","22.936","0.002","90","","90.559","0.011","90","","3622","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium chloride 2.25 hydrate","","- C16 H15.5 Cl N4 O6.25 -","- C16 H15.5 Cl N4 O6.25 -","- C128 H124 Cl8 N32 O50 -","8","1","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.081","0.039","","","","0.093","","","","","","0.823","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012256","6.1401","0.0007","15.6358","0.0012","10.7154","0.0008","90","","106.934","0.008","90","","984.13","0.16","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium perchlorate trihydrate","","- C16 H17 Cl N4 O11 -","- C16 H17 Cl N4 O11 -","- C32 H34 Cl2 N8 O22 -","2","0.5","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.057","0.04","","","","0.115","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012257","6.191","0.0006","15.6564","0.0011","10.8349","0.001","90","","106.4","0.011","90","","1007.48","0.16","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium hexafluorophosphate trihydrate","","- C16 H17 F6 N4 O7 P -","- C16 H17 F6 N4 O7 P -","- C32 H34 F12 N8 O14 P2 -","2","0.5","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.05","0.044","","","","0.152","","","","","","1.197","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012258","8.8856","0.0008","9.0728","0.0009","12.9288","0.0011","109.164","0.005","92.476","0.005","111.074","0.005","903.17","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine‒tetrahydroxybenzoquinone (3/2)","","- C42 H32 N6 O12 -","- C42 H32 N6 O12 -","- C42 H32 N6 O12 -","1","0.5","GD1161","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.","Interpenetrating supramolecular lattices in 4,4'-bipyridine‒2,3,5,6-tetrahydroxy-1,4-benzoquinone (3/2)","Acta Crystallographica Section C","2001","57","10","1196","1198","10.1107/S0108270101011647","","","0.71073","MoKα","","0.0715","0.0377","","","","0.0666","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012259","4.0545","0.0007","7.5723","0.0012","9.0629","0.0014","81.096","0.004","86.19","0.004","85.197","0.004","273.53","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Cu(PT)~2~","Bis(1-hydroxy-2(1H)-pyridinethiolato-S^2^,O)copper(II)","","- C10 H8 Cu N2 O2 S2 -","- C10 H8 Cu N2 O2 S2 -","- C10 H8 Cu N2 O2 S2 -","1","0.5","GD1171","Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Jones, William","Bis[1-hydroxypyridine-2(1<i>H</i>)-thionato-<i>S</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2001","57","10","1157","1158","10.1107/S0108270101012306","","","0.6884","synchrotron","","0.084","0.061","","","","0.161","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012260","7.271","0.003","9.733","0.005","35.98","0.02","90","","93.28","0.04","90","","2542","2","150","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4-dimethyl-23-phenyl-24-nor-5α-cholane-8,14-dien-3β-ol","","- C31 H44 O -","- C31 H44 O -","- C124 H176 O4 -","4","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0496","0.0443","","","","0.1156","","","","","","1.097","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012261","23.785","0.009","13.61","0.003","19.08","0.007","90","","121.927","0.012","90","","5242","3","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","ORG39097","4,4-dimethyl-22-phenyl-23,24-dinor-5α-cholane-8,14-dien-3β-ol","","- C30 H42 O -","- C30 H42 O -","- C240 H336 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0479","0.0459","","","","0.1194","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012262","24.661","0.01","24.661","0.01","7.232","0.01","90","","90","","120","","3809","6","150","","150","","","","","","","","","3","P 62","P 62","171","","4,4-dimethyl-22-oxa-5α,20β-cholesta-8,14,24-trien-3β-ol","","- C28 H44 O2 -","- C28 H44 O2 -","- C168 H264 O12 -","6","1","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0823","0.0753","","","","0.1399","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012263","64.902","0.004","7.2926","0.0014","11.1447","0.0011","90","","96.055","0.013","90","","5245.4","1.2","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","4,4-dimethyl-23-phenyl-22-oxa-24-nor-5α-cholane-8,14-dien-3β-ol‒water (4/1)","","- C120 H170 O9 -","- C120 H170 O9 -","- C240 H340 O18 -","2","0.5","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0701","0.0449","","","","0.1062","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012264","10.5743","0.0007","20.941","0.017","23.69","0.02","90","","90","","90","","5246","6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O -","- C29 H46 O -","- C232 H368 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0938","0.0511","","","","0.1118","","","","","","1.012","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012265","7.2913","0.0005","7.9434","0.0005","9.9197","0.0007","76.584","0.004","80.959","0.004","86.321","0.004","551.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis-(2,2-bipyridyl) hexahydroxybenzene","Hexahydroxybenzene-2,2'-bipyridine (1/2)","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","1","0.5","GG1065","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.; Puschmann, Horst; Williams, Ian D.","Hexahydroxybenzene‒2,2'-bipyridine (1/2)","Acta Crystallographica Section C","2001","57","10","1194","1195","10.1107/S0108270101011350","","","0.71073","MoKα","","0.045","0.04","","","","0.112","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012266","8.207","0.002","10.312","0.002","17.236","0.002","90","","95.6","0.01","90","","1451.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ortho dimethoxybenzo-phenyldiazotropone","4,5-Dihydro-7,8-dimethoxy-1-phenyl-3H-2,3-benzodiazepin-4-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","GG1067","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Gitto, Rosaria; Zappalá, Maria","4,5-Dihydro-7,8-dimethoxy-1-phenyl-3<i>H</i>-2,3-benzodiazepin-4-one","Acta Crystallographica Section C","2001","57","10","1225","1227","10.1107/S0108270101011805","","","0.71073","MoKα","","0.051","0.032","","","","0.08","","","","","","0.839","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012267","8.5116","0.0017","6.569","0.0013","10.243","0.002","90","","109.36","0.03","90","","540.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-methyl-1,3,4-thiadiazole","","- C3 H5 N3 S -","- C3 H5 N3 S -","- C12 H20 N12 S4 -","4","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.105","","","","","","0.824","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012268","7.2752","0.0003","10.7294","0.0004","15.4991","0.0007","90","","90","","90","","1209.84","0.09","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-5-ethyl-1,3,4-thiadiazole","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C32 H56 N24 S8 -","8","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.092","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012269","15.293","0.002","12.5644","0.0013","18.225","0.002","90","","92.61","0.002","90","","3498.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~2~-Peroxo-bis[trans-chloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III)] bis(tetraphenylborate) diacetone solvate","","- C74 H100 B2 Cl2 Co2 N8 O4 -","- C74 H92 B2 Cl2 Co2 N8 O4 -","- C148 H184 B4 Cl4 Co4 N16 O8 -","2","0.5","GG1072","Lewis, Gareth R.; Wilson, Claire","μ-Peroxo-bis[<i>trans</i>-chloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III)] bis(tetraphenylborate) diacetone solvate","Acta Crystallographica Section C","2001","57","10","1159","1161","10.1107/S0108270101012173","","","0.71073","MoKα","","0.0825","0.0474","","","","0.1336","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012270","8.2473","0.0007","7.5676","0.0007","23.7798","0.0016","90","","91.717","0.005","90","","1483.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","2","GG1075","Zakaria, Choudhury M.; Low, John N.; Skakle, Janet M. S.; McWilliam, Susan A.; Wardell, James L.; Glidewell, Christopher","Hydrogen bonding in <i>C</i>-methylated nitroanilines: a room-temperature monoclinic polymorph of 4-methyl-3-nitroaniline with <i>Z</i>' = 2","Acta Crystallographica Section C","2001","57","10","1207","1208","10.1107/S0108270101012185","","","0.71073","MoKα","","0.1336","0.0607","","","","0.204","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012271","3.7715","0.0002","15.6399","0.0008","13.3484","0.0009","90","","93.252","0.002","90","","786.1","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-nitrobenzothiazole","","- C7 H5 N3 O2 S -","- C7 H5 N3 O2 S -","- C28 H20 N12 O8 S4 -","4","1","GG1076","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in nitroaniline analogues: a three-dimensional framework in 2-amino-6-nitro-1,3-benzothiazole","Acta Crystallographica Section C","2001","57","10","1209","1211","10.1107/S0108270101012574","","","0.71073","MoKα","","0.0777","0.0451","","","","0.1081","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012272","13.5264","0.0007","4.2773","0.0002","16.3725","0.0008","90","","109.835","0.001","90","","891.06","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Iodo-2-methyl-5-nitroaniline","","- C7 H7 I N2 O2 -","- C7 H7 I N2 O2 -","- C28 H28 I4 N8 O8 -","4","1","GG1080","Garden, Simon J.; Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Pinto, Angelo C.; Skakle, Janet M. S.; Torres, Jose C.; Wardell, James L.","4-Iodo-2-methyl-5-nitroaniline exhibits neither strong hydrogen bonding nor intermolecular I···nitro interactions","Acta Crystallographica Section C","2001","57","10","1212","1214","10.1107/S0108270101013373","","","0.71073","MoKα","","0.0351","0.0304","","","","0.0863","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012273","4.3897","0.0008","10.4102","0.001","25.829","0.003","90","","91.166","0.012","90","","1180.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Nitro-3-thiomorpholino-1H-indazole","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","JZ1467","Gzella, Andrzej; Wrzeciono, Urszula","Azole. 47. Über 3-Thiomorpholino- und 3-(4-Methylpiperazino)-5-nitroindazole","Acta Crystallographica Section C","2001","57","10","1189","1191","10.1107/S0108270101011027","","","1.54178","CuKα","","0.06","0.042","","","","0.128","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012274","7.3742","0.0011","12.1765","0.0013","16.6356","0.0016","78.65","0.009","84.958","0.01","74.596","0.011","1410.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(4-methylpiperazino)-5-nitro-1H-indazole methanol hemisolvate water hemisolvate","","- C12.5 H18 N5 O3 -","- C12.5 H18 N5 O3 -","- C50 H72 N20 O12 -","4","2","JZ1467","Gzella, Andrzej; Wrzeciono, Urszula","Azole. 47. Über 3-Thiomorpholino- und 3-(4-Methylpiperazino)-5-nitroindazole","Acta Crystallographica Section C","2001","57","10","1189","1191","10.1107/S0108270101011027","","","1.54178","CuKα","","0.054","0.042","","","","0.124","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012275","8.378","0.006","11.099","0.01","23.042","0.012","90","0.06","99.44","0.05","90","0.07","2114","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(diethylenetriamine)nickel(II) 5-amino-1,3,4-thiadiazole-2- sulfonamidate chloride hydrate.","","- C10 H31 Cl N10 Ni O3 S2 -","- C10 H31 Cl N10 Ni O3 S2 -","- C40 H124 Cl4 N40 Ni4 O12 S8 -","4","1","NA1492","Liu-Gonzalez, M.; Sanz-Ruiz, F.; Chufán, Eduardo E.; Pedregosa, Jose C.; Borras-Tortonda, Joaquin","Bis(diethylenetriamine-κ^3^<i>N</i>)nickel(II) 5-amino-1,3,4-thiadiazole-2-sulfonamidate chloride monohydrate","Acta Crystallographica Section C","2001","57","10","1132","1134","10.1107/S0108270101009088","","","0.71073","MoKα","","0.0885","0.0594","","","","0.1486","","","","","","1.149","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2012276","18.9631","0.0007","9.6845","0.0003","10.0505","0.0004","90","","93.134","0.001","90","","1843","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O3 -","- C18 H22 Cl2 N2 O3 -","- C72 H88 Cl8 N8 O12 -","4","1","NA1521","Carlo Castellari; Fabio Comelli; Stefano Ottani","Anti-inflammatory drugs. X. Hydrated pyrrolidinium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate (HP·D·H~2~O)","Acta Crystallographica Section C","2001","57","10","1182","1183","10.1107/S0108270101010022","","","0.71073","MoKα","","0.0698","0.0409","","","","0.1052","","","","","","0.893","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012277","7.911","0.003","8.798","0.003","8.819","0.002","102.92","0.03","92.43","0.02","112.05","0.02","549.1","0.3","293","3","293","3","","","","","","","","6","P -1","-P 1","2","","bis(S-methylisothiosemicarbazide-N^1^,N^4^)-bis(pyrazole-N^2^)- nickel(II) iodide","","- C10 H22 I2 N10 Ni S2 -","- C10 H22 I2 N10 Ni S2 -","- C10 H22 I2 N10 Ni S2 -","1","0.5","NA1529","Bogdanović, Goran A.; Leovac, Vukadin M.; Novaković, Sladjana B.; Češljević, Valerija I.; Spasojević-de Biré, Anne","Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(<i>S</i>-methylisothiosemicarbazido-<i>N</i>^1^,<i>N</i>^4^)bis(pyrazole-<i>N</i>^2^)nickel(II) diiodide","Acta Crystallographica Section C","2001","57","10","1138","1140","10.1107/S010827010100991X","","","0.71073","MoKα","","0.0401","0.0345","","0.0919","","0.0953","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012278","18.044","0.003","7.486","0.003","19.052","0.005","90","","111.764","0.015","90","","2390.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Amiloride hydrochloride hemimethanol solvate","N-(3,5-diamino-6-chloropyrazin-2-ylcarbonyl)-N-(diaminomethylene)ammonium chloride methanol hemisolvate","","- C6.5 H11 Cl2 N7 O1.5 -","- C6.5 H11 Cl2 N7 O1.5 -","- C52 H88 Cl16 N56 O12 -","8","2","OS1141","Pretscher, Andrea; Brisander, Magnus; Bauer-Brandl, Annette; Hansen, Lars Kr.","The methanol hemisolvate of amiloride hydrochloride","Acta Crystallographica Section C","2001","57","10","1217","1219","10.1107/S0108270101012550","","","0.71069","MoKα","","0.044","0.032","","","","0.093","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012279","16.793","0.001","13.685","0.002","21.244","0.001","90","","92.11","0.01","90","","4878.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-(4-methyl-4-azaheptane-1,7-diyl-κN)bis(4-methoxysalicylideneiminato- κ^4^O,N,N',O')cobalt(II)] ethanol hemisolvate","","- C24 H32 Co N3 O4.5 -","- C24 H29 Co N3 O4.5 -","- C192 H232 Co8 N24 O36 -","8","1","OS1142","Cini, Renzo","[<i>N</i>,<i>N</i>'-(4-Methyl-4-azaheptane-1,7-diyl-κ<i>N</i>)bis(4-methoxysalicylideniminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')]cobalt(II) ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1171","1173","10.1107/S0108270101012768","","","0.71073","MoKα","","0.09","0.049","","","","0.144","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012280","6.9892","0.0003","7.169","0.004","8.2106","0.0003","85.922","0.003","84.242","0.004","61.818","0.003","360.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","poly[diaquanickel(II)-μ-(pyrazine-2,3,5,6-tetracarboxylato)- tetraaquanickel(II)","","- C8 H12 N2 Ni2 O14 -","- C8 N2 Ni2 O14 -","- C8 N2 Ni2 O14 -","1","0.5","SK1451","Alfonso, Montserrat; Neels, Antonia; Stoeckli-Evans, Helen","X-ray powder structure of a new two-dimensional nickel(II) coordination polymer with pyrazine-2,3,5,6-tetracarboxylic acid","Acta Crystallographica Section C","2001","57","10","1144","1146","10.1107/S010827010101068X","","","1.5418","CuKα","","","","","","","","","","1.3","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012281","9.674","0.003","12.92","0.004","6.484","0.003","90","","97.71","0.03","90","","803.1","0.5","225","","225","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Nitric acid dihydrate","","- H5 N O5 -","- H5 N O5 -","- H40 N8 O40 -","8","2","SK1488","Lebrun, Nathalie; Mahe, Fabrice; Lamiot, Jocelyne; Foulon, Michel; Petit, Jean Claude","A new crystalline phase of nitric acid dihydrate","Acta Crystallographica Section C","2001","57","10","1129","1131","10.1107/S0108270101010101","","","0.71069","MoKa","","0.038","0.031","","0.083","","0.083","","","1.133","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012282","16.571","0.004","9.742","0.003","9.5","0.003","90","","101.507","0.005","90","","1502.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(N-octylsalicylideneaminato-N,O)copper(II)","","- C30 H44 Cu N2 O2 -","- C30 H44 Cu N2 O2 -","- C60 H88 Cu2 N4 O4 -","2","0.5","TA1334","Zhang, Lei Z.; Bu, Ping-Yu; Wang, Li-Juan; Cheng, Peng","Bis(<i>N</i>-octylsalicylideniminato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","2001","57","10","1166","1167","10.1107/S0108270101013154","","","0.71073","MoKα","","0.108","0.048","","","","0.126","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012283","17.1524","0.0009","6.1439","0.0009","22.6183","0.0011","90","","107.791","0.012","90","","2269.6","0.4","293","2","293","2","","","","","","","","4","A 1 2 1","A 2y","5","","Methyl N-(carbobenzoxy)-α,β-didehydrovalyl-L-tryptophanate","","- C25 H27 N3 O5 -","- C25 H27 N3 O5 -","- C100 H108 N12 O20 -","4","1","VJ1138","Vijayaraghavan, Rangachari; Kumar, Pravindra; Dey, Sharmistha; Singh, Tej P.","Design of peptides with α,β-dehydro residues: a dipeptide with a branched β-carbon dehydro residue at the (<i>i</i>+1) position, methyl <i>N</i>-(benzyloxycarbonyl)-α,β-didehydrovalyl-<small>L</small>-tryptophanate","Acta Crystallographica Section C","2001","57","10","1220","1221","10.1107/S010827010100840X","","","1.5418","CuKα","","0.0484","0.046","","","","0.1455","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012284","8.854","0.002","19.752","0.012","10.662","0.007","90","","93.66","0.03","90","","1860.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(2-pyridylmethyl)ammonio]silver(I) trinitrate","","- C12 H18 Ag N7 O9 -","- C12 H18 Ag N7 O9 -","- C48 H72 Ag4 N28 O36 -","4","1","VJ1143","Sailaja, Sunkari; Swarnabala, G.; Rajasekharan, M. V.","Complexes of Ag^I^ with cationic ligands: bis[(pyridylmethyl)ammonio]silver(I) salts","Acta Crystallographica Section C","2001","57","10","1162","1165","10.1107/S0108270101012380","","","0.71073","MoKα","","0.047","0.034","","","","0.093","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012285","11.3358","0.0007","14.5436","0.001","14.6015","0.0017","77.7","0.008","89.519","0.006","74.421","0.006","2262.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{bis[(2-pyridylmethyl)ammonio]silver(I)} hexakis(perchlorate) dihydrate, [Ag(C~6~H~9~N~2~)~2~]~2~(ClO~4~)~6~.2H~2~O","","- C24 H40 Ag2 Cl6 N8 O26 -","- C24 H40 Ag2 Cl6 N8 O26 -","- C48 H80 Ag4 Cl12 N16 O52 -","2","1","VJ1143","Sailaja, Sunkari; Swarnabala, G.; Rajasekharan, M. V.","Complexes of Ag^I^ with cationic ligands: bis[(pyridylmethyl)ammonio]silver(I) salts","Acta Crystallographica Section C","2001","57","10","1162","1165","10.1107/S0108270101012380","","","0.71073","MoKα","","0.107","0.063","","","","0.181","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012286","5.057","0.0004","7.9646","0.0005","9.7226","0.0009","90","","100.702","0.007","90","","384.79","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzdiamidine","Benzene-1,4-dicarboxamidine","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","AV1083","Jokić, Milan; Bajić, Miroslav; Žinić, Mladen; Perić, Berislav; Kojić-Prodić, Biserka","Benzdiamidine","Acta Crystallographica Section C","2001","57","11","1354","1355","10.1107/S010827010101438X","","","1.54178","CuKα","","0.049","0.04","","","","0.118","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012287","8.167","0.002","8.666","0.001","13.004","0.002","104.01","0.01","103.11","0.01","98.4","0.01","849.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3,3-Diethoxycarbonyl-2-(p-tolylsulfinyl)acrylonitrile","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate","","- C16 H17 N O5 S -","- C16 H17 N O5 S -","- C32 H34 N2 O10 S2 -","2","1","BJ1028","Toscano, Rubén A.; Hernández-Ortega, Simón; Ortiz, Benjamín; Sánchez-Obregón, Rubén; Walls, Fernando; Yuste, Francisco","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate and its Diels‒Alder adduct with cyclopentadiene","Acta Crystallographica Section C","2001","57","11","1313","1315","10.1107/S0108270101012951","","","0.71073","MoKα","","0.088","0.053","","","","0.177","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012288","8.458","0.001","15.137","0.002","15.93","0.003","90","","95.98","0.02","90","","2028.4","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,3-Diethoxycarbonyl-2-(p-tolylsulfinyl)bicyclo[2.2.1]hept- 5-ene-2-carbonitrile","Diethyl 3-cyano-3-(toluene-4-sulfinyl)bicyclo[2.2.1]hepta-5-ene-2,2-dicarboxylate","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","1","BJ1028","Toscano, Rubén A.; Hernández-Ortega, Simón; Ortiz, Benjamín; Sánchez-Obregón, Rubén; Walls, Fernando; Yuste, Francisco","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate and its Diels‒Alder adduct with cyclopentadiene","Acta Crystallographica Section C","2001","57","11","1313","1315","10.1107/S0108270101012951","","","0.71073","MoKα","","0.144","0.064","","","","0.141","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012289","13.06","0.002","7.3266","0.0011","15.0029","0.0018","90","","103.842","0.01","90","","1393.9","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(propane-1,2-diamine-N,N')nickel(II) bis(p-toluenesulfonate)","","- C20 H38 N4 Ni O8 S2 -","- C20 H38 N4 Ni O8 S2 -","- C40 H76 N8 Ni2 O16 S4 -","2","0.5","BJ1030","Kim, Chong-Hyeak; Lee, Sueg-Geun","Diaquabis(propane-1,2-diamine-<i>N</i>,<i>N</i>')nickel(II) bis(<i>p</i>-toluenesulfonate)","Acta Crystallographica Section C","2001","57","11","1259","1260","10.1107/S010827010101294X","","","0.71073","MoKα","","0.048","0.039","","","","0.112","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012290","8.425","0.0007","11.2156","0.0007","20.8889","0.0014","90","","94.499","0.003","90","","1967.7","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans Diaqua(biquinoline N,N')(nitrato O,O')-Nickel(II) nitrate,hydrate","","- C18 H18 N4 Ni O9 -","- C18 H18 N4 Ni O9 -","- C72 H72 N16 Ni4 O36 -","4","1","BK1615","Freire, Eleonora; Baggio, Sergio; Goeta, Andrés; Baggio, Ricardo","<i>trans</i>-Diaqua(2,2'-biquinoline-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>,<i>O</i>')nickel(II) nitrate hydrate","Acta Crystallographica Section C","2001","57","11","1268","1270","10.1107/S0108270101013592","","","0.71073","MoKα","","0.031","0.025","","","","0.064","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012291","9.109","0.002","10.883","0.003","13.964","0.004","110.16","0.02","96.6","0.02","98.27","0.02","1265.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","Tribenzo-18-crown-6","2,3,12,15,22,25-hexaoxatetracyclo-[24.4.0.0^6,11^.0^16,21^]triaconta- 6(11),7,9,16(21),17,19,26(1),27,29-nonaene acetonitrile disolvate","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","BK1618","Bryan, Jeffrey C.; Engle, Nancy L.; Sachleben, Richard A.; Hay, Benjamin P.","Tribenzo-18-crown-6 acetonitrile disolvate","Acta Crystallographica Section C","2001","57","11","1359","1360","10.1107/S0108270101016109","","","0.71073","MoKα","","0.06","0.042","","","","0.115","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012292","15.306","0.007","7.788","0.004","16.426","0.007","90","","132.31","0.03","90","","1448","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(3,4-dimethoxyphenoxy)benzoate","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.091","0.055","","","","0.165","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012293","7.92","0.004","8.55","0.005","11.36","0.007","76.02","0.07","82.46","0.07","64.2","0.06","671.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(3,4-Dimethoxyphenoxy)benzoic acid","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.058","0.05","","","","0.159","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012294","4.953","0.002","13.93","0.006","17.67","0.008","90","","97.23","0.06","90","","1209.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Dimethoxy-9H-xanthen-9-one","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.08","0.052","","","","0.168","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012295","5.273","0.001","15.443","0.004","16.55","0.006","90","","90","","90","","1347.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,8-Trimethoxy-9H-xanthen-9-one","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71073","MoKα","","0.049","0.042","","","","0.108","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012296","8.097","0.003","9.223","0.004","10.906","0.004","76.71","0.03","73.12","0.03","75.25","0.03","742.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide","","- C16 H15 I N2 -","- C16 H15 I N2 -","- C32 H30 I2 N4 -","2","1","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0648","0.0533","","","","0.1417","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012297","7.3189","0.0017","20.96","0.005","10.009","0.002","90","","102.597","0.006","90","","1498.5","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide","","- C16 H15 I N2 -","- C16 H15 I N2 -","- C64 H60 I4 N8 -","4","1","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0979","0.0475","","","","0.118","","","","","","0.824","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012298","15.3795","0.0019","13.8324","0.0017","14.169","0.0017","90","","100.816","0.002","90","","2960.7","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide hemihydrate","","- C16 H16 I N2 O0.5 -","- C16 H15 I N2 O0.5 -","- C128 H120 I8 N16 O4 -","8","2","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0613","0.0507","","","","0.1388","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012299","7.554","0.002","16.046","0.006","16.295","0.005","82.27","0.03","87.36","0.02","87.42","0.03","1953.6","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(9-ethylcarbazol-3-ylvinyl)-N-methylpyridinium iodide","","- C22 H21 I N2 -","- C22 H21 I N2 -","- C88 H84 I4 N8 -","4","2","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0575","0.0408","","","","0.0955","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012300","11.002","0.006","17.208","0.003","11.157","0.007","90","","114.86","0.02","90","","1916.5","1.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Bis(dimethylamino)-10-propylacridinium iodide","","- C20 H26 I N3 -","- C20 H26 I N3 -","- C80 H104 I4 N12 -","4","1","BM1459","Puliti, Raffaella; Mattia, Carlo Andrea","3,6-Bis(dimethylamino)-10-propylacridinium iodide","Acta Crystallographica Section C","2001","57","11","1338","1340","10.1107/S0108270101013774","","","1.5418","CuKα","","0.045","0.041","","","","0.043","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012301","17.4947","0.0002","9.873","0.0001","11.1165","0.0001","90","","90","","90","","1920.1","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","trans-dibromobis(5-tert-butylpyrazole-N^2^)copper(II)","","- C14 H24 Br2 Cu N4 -","- C14 H23.9999 Br2 Cu N4 -","- C55.9998 H95.9996 Br8 Cu4 N16 -","4","1","BM1461","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Two complexes of CuBr~2~ with 5-<i>tert</i>-butylpyrazole","Acta Crystallographica Section C","2001","57","11","1253","1255","10.1107/S0108270101012653","","","0.71073","MoKα","","0.0245","0.0235","","","","0.0597","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012302","19.5985","0.0003","11.9918","0.0002","15.9131","0.0002","90","","109.826","0.0006","90","","3518.24","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-dibromotetrakis(5-tert-butylpyrazole-N^2^)copper(II)","","- C28 H48 Br2 Cu N8 -","- C28 H48 Br2 Cu N8 -","- C112 H192 Br8 Cu4 N32 -","4","0.5","BM1461","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Two complexes of CuBr~2~ with 5-<i>tert</i>-butylpyrazole","Acta Crystallographica Section C","2001","57","11","1253","1255","10.1107/S0108270101012653","","","0.71073","MoKα","","0.03","0.0263","","","","0.0702","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012303","11.401","0.003","6.118","0.002","12.262","0.004","90","","107.09","0.02","90","","817.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexafluorobenzene‒trans-stilbene (1/1)","","- C20 H12 F6 -","- C20 H12 F6 -","- C40 H24 F12 -","2","0.5","BM1463","Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.; Robins, Edward G.","Arene‒perfluoroarene interactions in crystal engineering. 4. Hexafluorobenzene‒<i>trans</i>-stilbene (1/1)","Acta Crystallographica Section C","2001","57","11","1303","1305","10.1107/S0108270101013294","","","0.71073","MoKα","","0.107","0.0776","","","","0.207","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012304","8.581","0.003","6.321","0.002","15.355","0.002","90","","98.16","0.01","90","","824.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","OFN-TTF","Octafluoronaphthalene-tetrathiafulvalene (1/1)","","- C16 H4 F8 S4 -","- C16 H4 F8 S4 -","- C32 H8 F16 S8 -","2","0.5","BM1464","Batsanov, Andrei S.; Collings, Jonathan C.; Howard, Judith A. K.; Marder, Todd B.; Perepichka, Dmitrii F.","Arene‒perfluoroarene interactions in crystal engineering. 5. Octafluoronaphthalene‒tetrathiafulvalene (1/1)","Acta Crystallographica Section C","2001","57","11","1306","1307","10.1107/S0108270101013075","","","0.71073","MoKα","","0.027","0.023","","","","0.06","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012305","12.534","0.002","13.044","0.002","17.633","0.002","104.059","0.009","96.781","0.009","114.31","0.01","2469.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Bis(diphenylphosphino)methane)-(1,3-bis(diphenylphosphino)propane) -platinum(II) dibromide","","- C52 H48 Br2 P4 Pt -","- C52 H48 Br2 P4 Pt -","- C104 H96 Br4 P8 Pt2 -","2","1","BM1466","Günes̨, Bi̇lal; Nergi̇z , Emel; i̇de, Semra; s̨ahi̇n, Ertan; İri̇s̨li̇, Sevi̇l","[Bis(diphenylphosphino)methane][1,3-bis(diphenylphosphino)propane]platinum(II) dibromide","Acta Crystallographica Section C","2001","57","11","1282","1284","10.1107/S0108270101014159","","","0.71073","MoKα","","0.0963","0.0448","","","","0.1544","","","","","","1.278","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012306","22.469","0.005","4.6467","0.0009","16.501","0.003","90","","90","","90","","1722.8","0.6","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","1","DA1200","Zhang, Fuyi; Du, Chen-xia; Liu, Hong-Min; Zhu, Yu","A novel glycoside lactone derivative with a 2-C-unsaturated diester substituent","Acta Crystallographica Section C","2001","57","11","1361","1362","10.1107/S0108270101015505","","","0.71073","MoKα","","0.0708","0.0536","","","","0.1031","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012307","8.971","0.002","14.195","0.003","10.358","0.002","90","","112.24","0.03","90","","1220.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-bis(dimethyl sulphoxide)dinitratopalladium(II)","","- C4 H12 N2 O8 Pd S2 -","- C4 H12 N2 O8 Pd S2 -","- C16 H48 N8 O32 Pd4 S8 -","4","1","DN1000","Johansson, Maria H.; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfoxide-<i>S</i>)dinitratopalladium(II) and <i>cis</i>-dinitratobis(1,4-oxathiane-<i>S</i>)palladium(II)","Acta Crystallographica Section C","2001","57","11","1265","1267","10.1107/S0108270101013579","","","0.71073","MoKα","","0.0526","0.0327","","","","0.0718","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012308","8.9697","0.0018","9.3263","0.0019","18.317","0.004","90","","97.56","0.03","90","","1519","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dinitratobistioxanepalladium(II)","","- C8 H16 N2 O8 Pd S2 -","- C8 H16 N2 O8 Pd S2 -","- C32 H64 N8 O32 Pd4 S8 -","4","1","DN1000","Johansson, Maria H.; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfoxide-<i>S</i>)dinitratopalladium(II) and <i>cis</i>-dinitratobis(1,4-oxathiane-<i>S</i>)palladium(II)","Acta Crystallographica Section C","2001","57","11","1265","1267","10.1107/S0108270101013579","","","0.71073","MoKα","","0.0699","0.0403","","","","0.0936","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012309","7.695","0.0015","14.828","0.003","8.006","0.0016","90","","112.11","0.03","90","","846.3","0.3","206","2","206","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2-Fluorophenylimino)tripyrrolylphosphorane","","","- C18 H16 F N4 P -","- C18 H16 F N4 P -","- C36 H32 F2 N8 P2 -","2","1","FR1341","Bell, Stephen A.; Meyer, Tara Y.; Geib, Steven J.","(2-Fluorophenylimino)tri(1-pyrrolyl)phosphorane","Acta Crystallographica Section C","2001","57","11","1341","1342","10.1107/S0108270101013877","","","0.71073","MoKα","","0.0517","0.0378","","","","0.0889","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012310","12.6428","0.0013","15.351","0.004","17.868","0.008","111.91","0.03","94.05","0.03","90.48","0.02","3207","1.8","296","","296","","","","","","","","","5","P -1","-P 1","2","","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn)","","- C33 H22 Mn2 O8 P2 -","- C33 H22 Mn2 O8 P2 -","- C132 H88 Mn8 O32 P8 -","4","2","FR1342","Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John","μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate","Acta Crystallographica Section C","2001","57","11","1292","1294","10.1107/S0108270101013130","","","0.71073","MoKα","","0.061","0.041","","0.086","","0.044","","","1.4","","","1.6","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012311","18.286","0.002","18.286","0.002","41.345","0.006","90","","90","","90","","13825","3","294","","294","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn) toluene hemisolvate","","- C36.5 H26 Mn2 O8 P2 -","- C36.5 H24.5 Mn2 O8 P2 -","- C584 H392 Mn32 O128 P32 -","16","1","FR1342","Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John","μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate","Acta Crystallographica Section C","2001","57","11","1292","1294","10.1107/S0108270101013130","","","0.71073","MoKα","","0.065","0.045","","0.079","","0.038","","","1.32","","","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012312","6.988","0.002","12.031","0.003","12.869","0.004","90","","103.33","0.02","90","","1052.8","0.5","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Dicarba-closo-dodecaborane(12)-1-carboxylic acid","","- C3 H12 B10 O2 -","- C3 H12 B10 O2 -","- C12 H48 B40 O8 -","4","1","GD1160","Welch, Alan J.; Venkatasubramanian, Ulaganathan; Rosair, Georgina M.; Ellis, David; Donohoe, David J.","Crystal engineering with heteroboranes. I. 1-Carboxy-1,2-dicarba-<i>closo</i>-dodecaborane(11)","Acta Crystallographica Section C","2001","57","11","1295","1296","10.1107/S0108270101010204","","","0.71073","MoKα","","0.054","0.043","","","","0.119","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012313","12.4478","0.0007","12.488","0.0008","15.6692","0.0009","75.954","0.001","76.134","0.001","79.438","0.001","2273.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(2,6-dichloropyrazine-N^4^)zinc(II)","","- C8 H4 Cl6 N4 Zn -","- C8 H4 Cl6 N4 Zn -","- C48 H24 Cl36 N24 Zn6 -","6","3","GD1164","Hu, Chunhua; Englert, Ulli","Twinned dichlorobis(2,6-dichloropyrazine-<i>N</i>^4^)zinc(II)","Acta Crystallographica Section C","2001","57","11","1251","1252","10.1107/S0108270101012136","","","0.71073","MoKα","","0.074","0.038","","","","0.077","","","","","","0.808","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012314","9.441","0.004","8.085","0.003","20.666","0.011","90","","93.49","0.001","90","","1574.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[Cadmium(II)-μ-4,4'-oxydianiline-N:N'-di-μ-thiocyanato-N:S]","","- C14 H12 Cd N4 O S2 -","- C14 H12 Cd N4 O S2 -","- C56 H48 Cd4 N16 O4 S8 -","4","0.5","GD1168","Chen, Hong-Ji; Yu, Wen-Juan; Chen, Xiao-Ming; Zheng, Wen-Jie","Poly[cadmium(II)-μ-4,4'-oxydianiline-<i>N</i>:<i>N</i>'-di-μ-thiocyanato-<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","2001","57","11","1285","1287","10.1107/S0108270101014305","","","0.71073","MoKα","","0.04","0.03","","","","0.083","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012315","8.328","0.0003","8.393","0.0003","10.212","0.0004","90","","106.696","0.002","90","","683.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3β,3aβ,7β,8aα)-(±)-6,6-ethylenedioxy-3,8,8-trimethyl- 1,2,3,3a,4,5,6,7,8,8a-decahydro-3a,7-methanoazulen-2-one","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","GD1172","Kennedy, Alan R.; Kerr, William J.; McLaughlin, Mark; Pauson, Peter L.","Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes α- and β-cedrene","Acta Crystallographica Section C","2001","57","11","1316","1318","10.1107/S0108270101013336","","","0.71073","MoKα","","0.033","0.031","","","","0.08","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012316","6.0402","0.0013","31.423","0.004","7.7111","0.0013","90","","107.469","0.015","90","","1396.1","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3β,3aβ,7β)-(±)-6,6-ethylenedioxy-3,8,8-trimethyl-2,3,3a,4,5,6,7,8- octahydro-3a,7-methanoazulen-2-one","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","GD1172","Kennedy, Alan R.; Kerr, William J.; McLaughlin, Mark; Pauson, Peter L.","Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes α- and β-cedrene","Acta Crystallographica Section C","2001","57","11","1316","1318","10.1107/S0108270101013336","","","0.71069","MoKα","","0.126","0.048","","","","0.142","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012317","34.149","0.011","7.654","0.003","6.144","0.002","90","","98.02","0.03","90","","1590.2","1","160","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium phenoxyacetate hemihydrate","","- C8 H8 Na O3.5 -","- C8 H8 Na O3.5 -","- C64 H64 Na8 O28 -","8","1","GD1176","Evans, James M. B.; Kapitan, Anoop; Rosair, Georgina M.; Roberts, Kevin J.; White, Graeme","Sodium phenoxyacetate hemihydrate","Acta Crystallographica Section C","2001","57","11","1277","1278","10.1107/S0108270101013762","","","0.71073","MoKα","","0.0674","0.052","","","","0.1393","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012318","16.823","0.002","8.36","0.006","17.461","0.003","90","","118.33","0.01","90","","2161.6","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,4,5,7-tetranitrofluorene-9-ylidene)propanedinitrile chlorobenzene solvate","","- C22 H9 Cl N6 O8 -","- C22 H9 Cl N6 O8 -","- C88 H36 Cl4 N24 O32 -","4","1","GG1068","Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Howard, Judith A. K.","Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene","Acta Crystallographica Section C","2001","57","11","1299","1302","10.1107/S0108270101011556","","","0.71073","MoKα","","0.05","0.038","","","","0.092","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012319","6.984","0.001","15.088","0.002","23.217","0.002","90","","90","","90","","2446.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,5,7-tetranitrofluoren-9-one bis(chlorobenzene) solvate","","- C25 H14 Cl2 N4 O9 -","- C25 H14 Cl2 N4 O9 -","- C100 H56 Cl8 N16 O36 -","4","1","GG1068","Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Howard, Judith A. K.","Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene","Acta Crystallographica Section C","2001","57","11","1299","1302","10.1107/S0108270101011556","","","0.71073","MoKα","","0.142","0.076","","","","0.15","","","","","","1.255","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012320","7.4878","0.0009","10.1793","0.0012","11.022","0.0013","69.955","0.002","83.957","0.002","79.806","0.002","775.85","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl (4aS*,6S*)-6-methoxy-7-oxo-4a,5,6,7,8,9-hexahydro-2H- benzocycloheptene-3,4-dicarboxylate","","- C16 H20 O6 -","- C16 H20 O6 -","- C32 H40 O12 -","2","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.04","0.035","","","","0.1","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012321","27.666","0.009","5.066","0.002","22.793","0.007","90","","105.149","0.005","90","","3083.6","1.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dimethyl (4aS*,6R*)-6-methoxy-7-oxo-4a,5,6,7,8,9-hexahydro-2H- benzocycloheptene-3,4-dicarboxylate","","- C16 H20 O6 -","- C16 H20 O6 -","- C128 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.063","0.05","","","","0.126","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012322","14.1076","0.0019","11.3501","0.0015","7.7762","0.001","90","","96.28","0.002","90","","1237.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3aS*,9R*,10aS*,10bR*)-9-methoxy-1,3a,4,6,7,8,9,10,10a,10b-decahydro-2-oxa- 3H-cyclohepta[e]inden-1,3,8-trione","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.043","0.035","","","","0.1","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012323","14.676","0.002","9.967","0.002","18.937","0.003","90","","90","","90","","2770","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1S*,2R*,9S*,10aR*)-9-methoxy-8-oxo-1,2,3,5,6,7,8,9,10,10a-decahydro- benzocyclooctene-1,2-dicarboxylic acid","","- C15 H20 O6 -","- C15 H20 O6 -","- C120 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.6892","synchrotron","","0.118","0.084","","","","0.231","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012324","10.53","0.001","11.469","0.001","11.491","0.001","109.589","0.008","112.69","0.008","97.64","0.009","1150","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]benzoyl}benzoic acid","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C52 H56 N4 O10 -","2","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.066","0.05","","","","0.152","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012325","16.122","0.001","12.682","0.001","11.92","0.001","90","","97.139","0.007","90","","2418.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]benzamido}benzoic acid","","- C26 H29 N3 O5 -","- C26 H29 N3 O5 -","- C104 H116 N12 O20 -","4","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.177","0.053","","","","0.164","","","","","","0.963","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012326","18.681","0.001","9.565","0.001","14.837","0.001","90","","111.904","0.007","90","","2459.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]amilinocarbonyl} benzoic acid monohydrate","","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","- C104 H124 N12 O24 -","4","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.093","0.049","","","","0.151","","","","","","1.022","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012327","23.6298","0.0006","9.6215","0.0003","14.2657","0.0004","90","","120.293","0.0016","90","","2800.51","0.14","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9- tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one-ethanol (1/1)","","- C30 H33 Cl N4 O5 -","- C30 H33 Cl N4 O5 -","- C120 H132 Cl4 N16 O20 -","4","1","GG1082","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Mejía, Diana","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5(6<i>H</i>)-one‒ethanol (1/1)","Acta Crystallographica Section C","2001","57","11","1356","1358","10.1107/S0108270101014913","","","0.71073","MoKα","","0.055","0.043","","","","0.098","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012328","10.78","0.002","10.78","0.002","13.449","0.002","90","","90","","120","","1353.5","0.4","293","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ca1.73 Ge3 Na2.54 O9 -","- Ca1.73 Ge3 Na2.54 O9 -","- Ca10.38 Ge18 Na15.24 O54 -","6","1","IZ1014","Nishi, Fumito","Trigonal sodium calcium germanate, Na~2.54~Ca~1.73~Ge~3~O~9~","Acta Crystallographica Section C","2001","57","11","1231","1233","10.1107/S0108270101012963","","","0.71073","MoKα","","","0.062","","","","0.068","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012329","16.0054","0.0001","13.02","0.0001","17.2445","0.0001","90","","105.29","0.01","90","","3466.39","0.17","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[2-carbonyl-2,2-bis(triphenylphosphine)-nido-2-osmahexaborane(9)]","","- C37 H39 B5 O Os P2 -","- C37 H38 B5 O Os P2 -","- C148 H152 B20 O4 Os4 P8 -","4","1","IZ1015","Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence","The <i>nido</i>‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-<i>nido</i>-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-<i>nido</i>-6-OsB~9~H~13~]","Acta Crystallographica Section C","2001","57","11","1245","1247","10.1107/S0108270101012689","","","0.71073","MoKα","","0.028","0.026","","","","0.059","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012330","10.4617","0.0001","15.6821","0.0001","22.6315","0.0003","90","","91.08","0.01","90","","3712.3","0.07","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[6-carbonyl-6,6-bis(triphenylphosphine)-nido-6-osmadecaborane(13)]","","- C37 H43 B9 O Os P2 -","- C37 H41 B9 O Os P2 -","- C148 H164 B36 O4 Os4 P8 -","4","1","IZ1015","Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence","The <i>nido</i>‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-<i>nido</i>-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-<i>nido</i>-6-OsB~9~H~13~]","Acta Crystallographica Section C","2001","57","11","1245","1247","10.1107/S0108270101012689","","","0.71073","MoKα","","0.084","0.057","","","","0.116","","","","","","1.179","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012331","8.173","0.001","8.173","0.001","20.278","0.004","90","","90","","90","","1354.5","0.4","293","2","293","2","","","","","","","","4","P 4/m c c","-P 4 2c","124","","Potassium Silver Tin Selenide","","- Ag2 K2 Se6 Sn2 -","- Ag2 K2 Se6 Sn2 -","- Ag8 K8 Se24 Sn8 -","4","0.25","IZ1017","Guo, Hongyou; Li, Zhenghe; Yang, Lin; Wang, Ping; Huang, Xiaoying; Li, Jing","Potassium silver tin selenide, K~2~Ag~2~Sn~2~Se~6~","Acta Crystallographica Section C","2001","57","11","1237","1238","10.1107/S0108270101014299","","","0.71073","MoKα","","0.088","0.0306","","","","0.0476","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012332","7.948","0.002","10.208","0.002","14.362","0.003","85.693","0.005","82.008","0.005","89.172","0.005","1150.6","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","[Cu(H~2~PO~4~)~2~(H~2~O)~2~(4,4'-bipy)~2~]","Diaquabis(4,4'-bipyridine)bis(dihydrogenphosphato)copper(II)","","- C20 H24 Cu N4 O10 P2 -","- C20 H24 Cu N4 O10 P2 -","- C40 H48 Cu2 N8 O20 P4 -","2","1","JZ1468","Abu-Shandi, Khalid; Janiak, Christoph; Kersting, Berthold","Diaquabis(4,4'-bipyridine-<i>N</i>)bis(dihydrogenphosphato-<i>O</i>)copper(II): blocking of extended metal‒ligand coordination by hydrogen bonding","Acta Crystallographica Section C","2001","57","11","1261","1264","10.1107/S0108270101012914","","","0.71073","MoKα","","0.0718","0.0361","","","","0.0959","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012333","5.7971","0.0012","6.5933","0.0014","5.4179","0.0012","90","","109.394","0.004","90","","195.33","0.07","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Tripotassium oxoantimonate(V)","","- K3 O4 Sb -","- K3 O4 Sb -","- K6 O8 Sb2 -","2","0.5","JZ1475","Hirschle, Christian; Rosstauscher, Jürgen; Röhr, Caroline","Potassium oxoantimonate(V), K~3~[SbO~4~]","Acta Crystallographica Section C","2001","57","11","1239","1241","10.1107/S0108270101014342","","","0.7107","MoKα","","0.05","0.048","","","","0.122","","","","","","1.238","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012334","11.855","0.001","15.955","0.001","22.391","0.001","90","","103.77","0.01","90","","4113.5","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(isoquinoline-1-carboxylato-O,N)(2,9-dimethyl-1,10-phenanthroline- N,N')copper(II)","","- C24 H18 Cl Cu N3 O2 -","- C24 H18 Cl Cu N3 O2 -","- C192 H144 Cl8 Cu8 N24 O16 -","8","2","NA1524","Lemoine, Pascale; Viossat, Bernard","Chloro(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(isoquinoline-1-carboxylato-<i>O</i>,<i>N</i>)copper(II)","Acta Crystallographica Section C","2001","57","11","1248","1250","10.1107/S0108270101011799","","","0.71073","MoKα","","0.065","0.041","","","","0.118","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012335","15.983","0.001","6.5095","0.0004","29.068","0.001","90","","102.28","0.0005","90","","2955.1","0.3","123","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Cu N4 O6 -","- C13 H9 Cu N4 O6 -","- C104 H72 Cu8 N32 O48 -","8","4","OA1117","Kato, Takayuki; Sugimoto, Kunihisa; Yamasaki, Mikio","Aqua[<i>N</i>-(6-carboxylato-κ<i>O</i>-pyridine-2-carbonyl-κ<i>N</i>)-<small>L</small>-histidinato-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","2001","57","11","1256","1258","10.1107/S0108270101012331","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.34","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012336","12.8232","0.0005","22.4666","0.0008","26.612","0.001","90","","90.201","0.002","90","","7666.7","0.5","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate 2,3:11,12-dibenzo-1,4,7,10,13,16-hexaoxocyclooctadeca-2,11-diene propanone solvate","","- C29 H30 K Ni O7 S10 -","- C29 H30 K Ni O7 S10 -","- C232 H240 K8 Ni8 O56 S80 -","8","1","OA1119","Shitagami, Kozo; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Robertson, Neil","Potassium bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate 1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene propanone solvate","Acta Crystallographica Section C","2001","57","11","1271","1273","10.1107/S0108270101013713","","","0.7107","MoKα","","","0.0349","","","","0.0877","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012337","8.6307","0.0018","26.69","0.006","13.119","0.002","90","","102.305","0.015","90","","2952.6","1","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ni(NO~3~)(tmen)(NIT2py)]PF6.CH2Cl2","[4,5-Dihydro-4,4,5,5-tetramethyl-2-(2-pyridyl-κN)imidazol-1-oxyl 3-oxide-κO^3^](nitrato-κ^2^O,O')(N,N,N',N'-tetramethyl-1,2-ethanediamine- κ^2^N,N')nickel(II) hexafluorophophate dichloromethane solvate","","- C19 H34 Cl2 F6 N6 Ni O5 P -","- C19 H34 Cl2 F6 N6 Ni O5 P -","- C76 H136 Cl8 F24 N24 Ni4 O20 P4 -","4","1","OA1122","Yoshida, Takafumi; Suzuki, Takayoshi; Kaizaki, Sumio","A nitronyl nitroxide complex of nickel(II) with nitrate as a ligand","Acta Crystallographica Section C","2001","57","11","1274","1276","10.1107/S0108270101013725","","","0.71069","MoKα","","0.1634","0.0473","","","","0.1535","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012338","4.299","0.003","9.065","0.0016","14.262","0.006","90","","92.67","0.05","90","","555.2","0.5","240","","240","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammonium Hydrogen Tartronate","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","OB1043","Moritani, Yoshimitsu; Fukunaga, Takeo; Ishida, Hiroyuki; Kashino, Setsuo","Ammonium hydrogen tartronate at 240 and 20K","Acta Crystallographica Section C","2001","57","11","1349","1351","10.1107/S0108270101014123","","","0.71073","MoKα","","0.08","0.046","","","","0.125","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012339","4.2418","0.0007","9.0258","0.0012","14.217","0.003","90","","94.335","0.015","90","","542.75","0.16","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammonium Hydrgen Tartronate","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","OB1043","Moritani, Yoshimitsu; Fukunaga, Takeo; Ishida, Hiroyuki; Kashino, Setsuo","Ammonium hydrogen tartronate at 240 and 20K","Acta Crystallographica Section C","2001","57","11","1349","1351","10.1107/S0108270101014123","","","0.71073","MoKα","","0.053","0.037","","","","0.096","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012340","25.675","0.009","11.602","0.003","10.53","0.004","90","","90","","90","","3136.7","1.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetrachloro bisphenol A","3,5,3',5'-Tetrachloro-4,4'-dihydroxy-diphenyl-dimethl-methane","","- C15 H12 Cl4 O2 -","- C15 H12 Cl4 O2 -","- C120 H96 Cl32 O16 -","8","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.177","0.054","","","","0.075","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012341","19.545","0.003","30.971","0.004","10.0335","0.0019","90","","90","","90","","6073.6","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","Tribromo bisphenol A","3,3',5'-Tribromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H13 Br3 O2 -","- C15 H13 Br3 O2 -","- C240 H208 Br48 O32 -","16","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.028","0.026","","","","0.063","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012342","12.0038","0.0016","12.0038","0.0016","11.618","0.003","90","","90","","90","","1674.1","0.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Tetrabromo bisphenol A","3,3',5,5'-Tetrabromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H12 Br4 O2 -","- C15 H12 Br4 O2 -","- C60 H48 Br16 O8 -","4","0.5","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.105","0.039","","","","0.06","","","","","","0.814","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012343","9.303","0.0005","9.303","0.0005","11.0864","0.0008","90","","90","","120","","830.94","0.09","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Tetracalcium iridium hexaoxide","","- Ca4 Ir O6 -","- Ca4 Ir O6 -","- Ca24 Ir6 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012344","9.2876","0.0004","9.2876","0.0004","11.02","0.0008","90","","90","","120","","823.23","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium magnesium iridium hexaoxide","","- Ca3.34 Ir Mg0.66 O6 -","- Ca3.338 Ir Mg0.66 O6 -","- Ca20.028 Ir6 Mg3.96 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.016","0.015","","","","0.034","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012345","9.2641","0.0003","9.2641","0.0003","11.0298","0.0005","90","","90","","120","","819.79","0.05","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium zinc iridium hexaoxide","","- Ca3.5 Ir O6 Zn0.5 -","- Ca3.5 Ir O6 Zn0.5 -","- Ca21 Ir6 O36 Zn3 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.034","0.031","","","","0.077","","","","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012346","8.391","0.002","16.866","0.003","11.791","0.002","90","","98.91","0.02","90","","1648.6","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly{[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]}","","- C10 H16 Co Cu K N10 -","- C10 H16 Co Cu K N10 -","- C40 H64 Co4 Cu4 K4 N40 -","4","0.5","SK1474","Li, Baolong; Shen, Xiaoping; Zou, Jianzhong; Xu, Zheng; Yu, Kaibei","A three-dimensional porous framework complex, poly[[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]]","Acta Crystallographica Section C","2001","57","11","1242","1244","10.1107/S0108270101009490","","","0.71073","MoKα","","0.028","0.024","","","","0.062","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012347","8.3265","0.0007","25.364","0.002","7.0865","0.0006","90","","113.427","0.001","90","","1373.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag(2CNpy)(mu-2CNpy)]2(BF4)2","Bis(μ-2-cyanopyridine-N:N')bis[(2-cyanopyridine-N)silver(I)] bis(tetrafluoroborate)","","- C24 H16 Ag2 B2 F8 N8 -","- C24 H16 Ag2 B2 F8 N8 -","- C48 H32 Ag4 B4 F16 N16 -","2","0.5","SK1494","Blake, Alexander J.; Champness, Neil R.; Nicolson, James E. B.; Wilson, Claire","Bis(μ-2-cyanopyridine-<i>N</i>:<i>N</i>')bis[(2-cyanopyridine-<i>N</i>)silver(I)] bis(tetrafluoroborate): an anion-linked molecular ladder","Acta Crystallographica Section C","2001","57","11","1290","1291","10.1107/S0108270101013956","","","0.71073","MoKα","","0.0291","0.0266","","","","0.058","","","","","","1.298","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012348","10.6639","0.0002","14.4016","0.0003","19.7744","0.0004","90","","105.27","0.0013","90","","2929.68","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromo{N-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline- κ^2^N,P}nickel","","- C31 H32 Br2 N Ni P -","- C31 H32 Br2 N Ni P -","- C124 H128 Br8 N4 Ni4 P4 -","4","1","SK1498","Crossetti, Geraldo L.; Filgueiras, Carlos A. L.; Howie, R. Alan; Wardell, James L.; Ziglio, Claudio M.","Dibromo{<i>N</i>-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline-κ^2^<i>N</i>,<i>P</i>}nickel","Acta Crystallographica Section C","2001","57","11","1279","1281","10.1107/S0108270101013907","","","0.71073","MoKα","","0.0618","0.0363","","","","0.0826","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012349","10.4516","0.0001","11.3466","0.0001","12.5599","0.0001","90","","90","","90","","1489.48","0.02","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-bromo-4-deoxysucrose","","- C12 H21 Br O10 -","- C12 H21 Br O10 -","- C48 H84 Br4 O40 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0183","0.0173","","","","0.0424","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012350","7.6133","0.0001","9.4705","0.0001","23.2227","0.0002","90","","90","","90","","1674.4","0.03","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1',6'-dibromo-4-fluoro-4,1',6'-trideoxysucrose monohydrate","","- C12 H21 Br2 F O9 -","- C12 H21 Br2 F O9 -","- C48 H84 Br8 F4 O36 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0275","0.0241","","","","0.0606","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012351","10.44","0.002","27.647","0.005","8.012","0.002","90","","90","","90","","2312.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N^1^,N^1^-Diethyl-N^2^-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)acetamidine","","- C20 H32 N2 O9 -","- C20 H32 N2 O9 -","- C80 H128 N8 O36 -","4","1","SX1111","Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón","<i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^2^-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)acetamidine","Acta Crystallographica Section C","2001","57","11","1297","1298","10.1107/S0108270101011465","","","0.71069","MoKα","","0.103","0.069","","","0.182","","","","1.118","1.099","1.099","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012352","10.7631","0.0004","13.1751","0.0004","12.5623","0.0005","90","","96.887","0.002","90","","1768.54","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","HIV protease inhibitor KNI-272: iQoa-Mta-Apns-Thz-tBu","3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo- 4,7-diazanonanoyl]-N-tert-butyl-1,3-thiazolane-4-carboxamide","","- C33 H42.61 N5 O6.81 S2 -","- C33 H42.606 N5 O6.803 S2 -","- C66 H85.212 N10 O13.606 S4 -","2","1","SX1119","Doi, Mitsunobu; Ishida, Toshimasa; Katsuya, Yoshio; Sasaki, Masahiro; Taniguchi, Taizo; Hasegawa, Hiroshi; Mimoto, Tsutomu; Kiso, Yoshiaki","KNI-272, a highly selective and potent peptidic HIV protease inhibitor","Acta Crystallographica Section C","2001","57","11","1333","1335","10.1107/S0108270101013701","","","0.836","synchrotron","","0.073","0.067","","","","0.191","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012353","14.238","0.004","11.053","0.005","14.426","0.005","90","","111.979","0.018","90","","2105.3","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","1","TA1324","Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C.","Two crystal polymorphs of a flavonoid from <i>Melicope ellyrana</i>","Acta Crystallographica Section C","2001","57","11","1336","1337","10.1107/S0108270101013695","","","0.71069","MoKα","","0.1671","0.0483","","","","0.1795","","","","","","0.947","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012354","12.291","0.005","13.075","0.005","7.099","0.003","93.85","0.05","104.33","0.04","111.52","0.03","1012.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","1","TA1324","Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C.","Two crystal polymorphs of a flavonoid from <i>Melicope ellyrana</i>","Acta Crystallographica Section C","2001","57","11","1336","1337","10.1107/S0108270101013695","","","0.71069","MoKα","","0.1544","0.0554","","","","0.1987","","","","","","0.995","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012355","6.8622","0.0002","10.8244","0.0001","12.3446","0.0003","90","","90","","90","","916.95","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cerbinal","Methyl 1-formyl-6-oxa-6H-indene-4-carboxylate","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","TA1345","Laphookhieo, Surat; Karalai, Chatchanok; Chantrapromma, Suchada; Fun, Hoong-Kun; Usman, Anwar; Rat-a-pa, Yanisa; Chantrapromma, Kan","Atomic charges of cerbinal","Acta Crystallographica Section C","2001","57","11","1352","1353","10.1107/S0108270101014317","","","0.71073","MoKα","","0.0782","0.0561","","","","0.1446","","","","","","1.007","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012356","12.359","0.002","18.443","0.003","16.984","0.002","90","","101.9","0.014","90","","3788.1","1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(diethyl ether-O)bis[2,6-diisopropyl-N-(trimethylsilyl)aniline-N]magnesium(II)","","- C34 H62 Mg N2 O Si2 -","- C34 H62 Mg N2 O Si2 -","- C136 H248 Mg4 N8 O4 Si8 -","4","1","TR1003","Kennedy, Alan R.; Mulvey, Robert E.; Schulte, J. Hilko","A monomeric three-coordinate magnesium bis(amide)","Acta Crystallographica Section C","2001","57","11","1288","1289","10.1107/S0108270101014408","","","0.71069","MoKα","","0.095","0.038","","","","0.116","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012357","31.385","0.002","9.129","0.001","16.84","0.001","90","","115.52","","90","","4354.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrazolo[3,4-d]pyrimidin","1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H- pyrazolo[3,4-d]pyrimidin-4-one)","","- C19 H24 N8 O2 S2 -","- C19 H24 N8 O2 S2 -","- C152 H192 N64 O16 S16 -","8","1","VJ1145","Avasthi, Kamlakar; Aswal, Sangeeta; Maulik, Prakas R.","A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect on stacking of an ethyl group in comparison with a methyl group","Acta Crystallographica Section C","2001","57","11","1324","1325","10.1107/S0108270101013518","","","0.71073","MoKα","","0.044","0.036","","","","0.097","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012358","13.2825","0.0009","14.9093","0.0011","8.9376","0.001","98.002","0.008","102.662","0.008","63.762","0.005","1547.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(triethanolamine)-κ^3^O,N,O';κ^4^O,N,O',O''-cadmium(II) 1,2-bensisothiazol-3(2H)-onate 1,1-dioxide","","- C26 H38 Cd N4 O12 S2 -","- C26 H38 Cd N4 O12 S2 -","- C52 H76 Cd2 N8 O24 S4 -","2","1","AV1088","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Guven, Kutalmis","Bis(triethanolamine)cadmium(II) and -mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands","Acta Crystallographica Section C","2001","57","12","1381","1384","10.1107/S0108270101015049","","","0.71069","MoKα","","0.069","0.039","","","0.102","0.115","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012359","12.588","0.002","15.934","0.003","7.9944","0.0014","91.791","0.014","91.343","0.014","72.965","0.013","1532.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(triethanolamine)-κ^3^O,N,O';κ^4^O,N,O',O''-mercury(II) 1,2-bensisothiazol-3(2H)-onate 1,1-dioxide","","- C26 H38 Hg N4 O12 S2 -","- C26 H38 Hg N4 O12 S2 -","- C52 H76 Hg2 N8 O24 S4 -","2","1","AV1088","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Guven, Kutalmis","Bis(triethanolamine)cadmium(II) and -mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands","Acta Crystallographica Section C","2001","57","12","1381","1384","10.1107/S0108270101015049","","","0.71069","MoKα","","0.171","0.05","","","0.119","0.159","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012360","3.841","0.001","16.073","0.004","13.234","0.003","90","","91.15","0.02","90","","816.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1H-Tetrazol-1-yl)benzoic acid","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","1","AV1091","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.; Ivashkevich, Oleg A.","2-(1<i>H</i>-Tetrazol-1-yl)benzoic acid","Acta Crystallographica Section C","2001","57","12","1436","1437","10.1107/S0108270101016006","","","0.71069","MoKα","","0.0474","0.0377","","","0.1029","0.1126","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012361","8.783","0.003","18.594","0.007","21.556","0.012","90","","94.05","0.04","90","","3512","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2,2':6',2''-Terpyridine-N,N',N'')-manganese(ii) tetrathionate, trihydrate.","","- C30 H28 Mn N6 O9 S4 -","- C30 H28 Mn N6 O9 S4 -","- C120 H112 Mn4 N24 O36 S16 -","4","1","BK1621","Freire, Eleonora; Baggio, Sergio; Garland, Maria Teresa; Baggio, Ricardo","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>)manganese(II) tetrathionate trihydrate","Acta Crystallographica Section C","2001","57","12","1403","1404","10.1107/S0108270101016481","","","0.71073","MoKα","","0.116","0.053","","","0.102","0.124","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012362","7.5878","0.0007","4.1397","0.0004","6.0594","0.0006","90","","101.529","0.011","90","","186.49","0.03","293","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bismuth cadmium oxide chloride","Bismuth cadmium dioxide chloride","","- Bi Cd Cl O2 -","- Bi Cd Cl O2 -","- Bi2 Cd2 Cl2 O4 -","2","0.5","BR1340","Kirik, Sergei D.; Yakovleva, Ekaterina G.; Shimanskii, Aleksandr F.; Kovalev, Yurii G.","CdBiO~2~Cl: synthesis and powder structure solution","Acta Crystallographica Section C","2001","57","12","1367","1368","10.1107/S0108270101014883","","","1.5418","CuKα","","","","","","","","","","1.43","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012363","21.104","0.002","14.486","0.002","18.962","0.002","90","","116.408","0.007","90","","5192","1.1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","fac-Re(CO)~3~(dpknph)Cl.dmso","fac-Tricarbonylchloro(di-2-pyridylmethanone p-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate","","- C22 H19 Cl N5 O6 Re S -","- C22 H19 Cl N5 O6 Re S -","- C176 H152 Cl8 N40 O48 Re8 S8 -","8","1","DA1194","Bakir, Mohammed","The optical sensor <i>fac</i>-tricarbonylchloro(di-2-pyridylmethanone <i>p</i>-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","12","1371","1373","10.1107/S0108270101013890","","","0.71073","MoKα","","0.0335","0.0266","","","0.0607","0.0641","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","209447","2020-10-21","18:00:00",""
"2012364","24","0.007","8.531","0.003","9.369","0.002","90","","90","","90","","1918.2","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aquabis(3,5-dimethyl-1H-pyrazole-N^2^)(malonato-O,O')copper(II) dihydrate","","- C13 H24 Cu N4 O7 -","- C13 H24 Cu N4 O7 -","- C52 H96 Cu4 N16 O28 -","4","1","DA1196","Xiong, Ya; Tong, Mingliang; An, Taicheng; Karlsson, Hans T.","Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section C","2001","57","12","1385","1387","10.1107/S0108270101015116","","","0.71073","MoKα","","0.111","0.059","","","0.134","0.157","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012365","14.164","0.002","12.034","0.002","27.648","0.003","90","","90","","90","","4712.6","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II)","","- C26 H22 Cd N2 S2 -","- C26 H22 Cd N2 S2 -","- C208 H176 Cd8 N16 S16 -","8","1","DA1203","Wacholtz, William F.; Mague, Joel T.","Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section C","2001","57","12","1400","1402","10.1107/S0108270101015906","","","0.71073","MoKα","","0.1275","0.035","","","0.0839","0.1023","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012366","5.525","0.002","17.444","0.003","8.194","0.002","90","","107.1","0.02","90","","754.8","0.4","293","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C32 H36 N8 -","2","0.5","DA1209","Bayse, Craig A.; Carpenter, Barry K.; Luck, Rudy L.","<i>meso</i>-1,2-Bis(methylazo)-1,2-diphenylethane","Acta Crystallographica Section C","2001","57","12","1429","1430","10.1107/S0108270101015918","","","0.71069","MoKα","","","0.056","","","","0.17","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012367","11.1238","0.0003","9.8718","0.0003","7.1988","0.0002","90","","119.071","0.002","90","","690.92","0.04","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-formylphenylboronic acid","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","DA1214","Fronczek, Frank R.; St. Luce, Nadia N.; Strongin, Robert M.","Space-group revision for 4-formylphenylboronic acid","Acta Crystallographica Section C","2001","57","12","1423","1425","10.1107/S0108270101015621","","","0.71073","MoKα","","0.043","0.038","","","0.099","0.104","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012368","19.967","0.002","7.5484","0.0009","9.1666","0.0013","90","","102.967","0.011","90","","1346.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8,9-Dimethoxy-6,10b-dihydro-1-oxo-5H-thiazolo[2,3-a]isoquinolin-3-one","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0641","0.0499","","","0.1464","0.1583","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012370","11.0726","0.0006","20.509","0.001","13.9311","0.0008","90","","112.02","0.001","90","","2932.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N-[Dimethyl(η^5^-1,2,5,7-tetramethylindenyl)silyl]cyclobutylamido-κN}- (η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)","","- C35 H41 N Si Ti -","- C35 H41 N Si Ti -","- C140 H164 N4 Si4 Ti4 -","4","1","FR1316","Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.","{<i>N</i>-[Dimethyl(η^5^-2,3,4,6-tetramethylindenyl)silyl]cyclobutylamido-κ<i>N</i>}(η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)","Acta Crystallographica Section C","2001","57","12","1408","1409","10.1107/S010827010101592X","","","0.71073","MoKα","","0.0937","0.0438","","","0.0905","0.1032","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012371","10.411","0.002","23.586","0.006","12.482","0.003","90","","107.71","0.02","90","","2919.7","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","meso-octamethylcalix[4]pyrrole dimethyl sulfoxide solvate","","- C30 H42 N4 O S -","- C30 H42 N4 O S -","- C120 H168 N16 O4 S4 -","4","1","FR1336","Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David","Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section C","2001","57","12","1426","1428","10.1107/S0108270101015931","","","0.71073","MoKα","","0.2078","0.0707","","","0.1103","0.1522","","","","","","0.969","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012372","10.362","0.003","23.468","0.01","12.373","0.007","90.23","0.04","107.64","0.04","88.35","0.03","2866","2","198","2","298","2","","","","","","","","5","P -1","-P 1","2","","meso-octamethylcalix[4]pyrrole - dimethyl sulfoxied solvate","","- C30 H42 N4 O S -","- C30 H42 N4 O S -","- C120 H168 N16 O4 S4 -","4","2","FR1336","Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David","Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section C","2001","57","12","1426","1428","10.1107/S0108270101015931","","","0.71073","MoKα","","0.1726","0.0808","","0.2122","","0.1548","","","1.028","","","1.106","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012373","8.566","0.002","13.611","0.003","12.633","0.003","90","","108.54","0.02","90","","1396.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro[1,5-bis(1-methyl-1H-tetrazol-5-yl-N)-3-oxopentane-O]copper(II)","","- C8 H14 Cl2 Cu N8 O -","- C8 H14 Cl2 Cu N8 O -","- C32 H56 Cl8 Cu4 N32 O4 -","4","1","FR1343","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Dmitry O.; Pytleva, Dariya S.; Ivashkevich, Ludmila S.","[1,5-Bis(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>)-3-oxopentane-κ<i>O</i>]dichlorocopper(II)","Acta Crystallographica Section C","2001","57","12","1374","1375","10.1107/S0108270101014640","","","0.71069","MoKα","","0.04","0.033","","","0.088","0.092","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012374","18.8435","0.0017","6.2038","0.0006","13.4129","0.0012","90","","105.534","0.002","90","","1510.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-O,N^1^:N^4^]","","- C5 H5 Cl Cu N2 O3 -","- C5 H5 Cl Cu N2 O3 -","- C40 H40 Cl8 Cu8 N16 O24 -","8","1","FR1345","Nordell, Karen J.; Kass, Dana S.; Smith, Mark D.","A new packing variant of <i>catena</i>-poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-<i>O</i>,<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","12","1376","1377","10.1107/S0108270101014639","","","0.71073","MoKα","","0.029","0.025","","","0.062","0.063","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012375","13.478","0.002","14.3841","0.0018","21.381","0.002","97.144","0.01","97.854","0.01","103.405","0.011","3941.6","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","tetrabenzo-24-crown-8 tris(1,2-dichloroethane)","2,5,12,15,22,25,32,35-Octaoxopentacyclo[34.4.0.0^6,11^. 0^16,21^.0^26,31^]tetraconta-6,8,10,16,18,20,26,28,30,36,38,40-dodecaene tris(1,2-dichloroethane) solvate","","- C38 H44 Cl6 O8 -","- C38 H44 Cl6 O8 -","- C152 H176 Cl24 O32 -","4","2","FR1347","Bryan, Jeffrey C.; Levitskaia, Tatiana G.","Tetrabenzo-24-crown-8 tris(1,2-dichloroethane) solvate","Acta Crystallographica Section C","2001","57","12","1457","1459","10.1107/S0108270101014627","","","0.71073","MoKα","","0.078","0.044","","","0.107","0.12","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012376","5.429","0.003","12.005","0.007","14.57","0.008","87.05","0.02","88.96","0.02","79.39","0.02","932.1","0.9","260","2","260","2","","","","","","","","3","P -1","-P 1","2","(±)-3-Oxocyclohexanepropionic acid","(±)-3-(3-Oxocyclohexyl)propionic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","2","FR1348","Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-(3-Oxocyclohexyl)propionic acid: dual conformational selection and hydrogen bonding in an ε-keto acid","Acta Crystallographica Section C","2001","57","12","1434","1435","10.1107/S0108270101015943","","","0.71073","MoKα","","0.109","0.063","","","0.149","0.175","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012377","8.416","0.0003","12.3127","0.0005","14.7039","0.0004","90","","90","","90","","1523.67","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-6,8-methano-7,7,8a-trimethyl-3-(1-methyl-2- oxopropylidene)-5H-1,4-benzoxazin-2-one","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012378","10.2905","0.0003","11.8864","0.0005","12.8317","0.0005","90","","90","","90","","1569.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-3-(2-hydroxy-1-methylpropyl)-6,8-methano-7,7,8a- trimethyl-5H-1,4-benzoxazin-2-one","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012379","14.977","0.002","19.832","0.007","11.326","0.002","90","","90","","90","","3364.1","1.4","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ethyl 2-deoxy-4,5,6,8-tetra-O-benzyl-α-D-galacto-3,7-pyranoso-3-octulosonate","","- C38 H42 O8 -","- C38 H42 O8 -","- C152 H168 O32 -","4","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71069","MoKα","","0.075","0.042","","","0.093","0.103","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012380","9.3164","0.0015","13.038","0.002","9.313","0.0015","90","","106.224","0.012","90","","1086.2","0.3","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl 2-deoxy-4,5,6,8-tetra-O-acetyl-α-D-gluco-3,7-pyranoso-3-octulosonate","","- C18 H26 O12 -","- C18 H26 O12 -","- C36 H52 O24 -","2","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71073","MoKα","","0.053","0.038","","","0.099","0.106","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012381","12.106","0.002","7.708","0.002","15.776","0.002","90","","93.997","0.01","90","","1468.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)- 1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","","- C5 H10 Cl4 N3 O2 P3 -","- C5 H10 Cl4 N3 O2 P3 -","- C20 H40 Cl16 N12 O8 P12 -","4","1","GG1084","Kumar, N. Satish; Kumara Swamy, K. C.","4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","Acta Crystallographica Section C","2001","57","12","1421","1422","10.1107/S0108270101015359","","","0.71073","MoKα","","0.036","0.029","","","0.077","0.083","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012382","11.653","0.002","7.3533","0.0012","13.443","0.002","90","","106.19","0.012","90","","1106.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Catena-poly[[(acetonitrile-N)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-N:N']","","- C8 H11 Cl2 Cu N3 -","- C8 H11 Cl2 Cu N3 -","- C32 H44 Cl8 Cu4 N12 -","4","1","JZ1473","Näther, Christian; Greve, Jan","<i>catena</i>-Poly[[(acetonitrile-<i>N</i>)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","12","1388","1390","10.1107/S0108270101015384","","","0.71073","MoKα","","0.075","0.029","","","0.065","0.073","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012383","13.566","0.009","9.617","0.002","22.025","0.011","90","","101.73","0.04","90","","2813","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate","","- C9 H26 Cr N2 O6 -","- C9 H26 Cr N2 O6 -","- C72 H208 Cr8 N16 O48 -","8","1","LN1120","Chebbi, Hammouda; Driss, Ahmed","4-Ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate","Acta Crystallographica Section C","2001","57","12","1369","1370","10.1107/S0108270101008447","","","0.71069","MoKα","","0.064","0.044","","","0.119","0.132","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012384","8.0395","0.0003","16.7881","0.0005","14.8438","0.0005","90","","96.954","0.001","90","","1988.7","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[Benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1H-indol-2-one","","- C25 H19 N O4 -","- C25 H19 N O4 -","- C100 H76 N4 O16 -","4","1","LN1121","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","1-Acetyl-3-[benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1<i>H</i>-indol-2-one","Acta Crystallographica Section C","2001","57","12","1438","1440","10.1107/S0108270101016304","","","0.71073","MoKα","","0.1123","0.0519","","","0.1133","0.1351","","","","","","0.914","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012385","7.1796","0.0018","23.238","0.003","6.5358","0.0016","90","","113.069","0.018","90","","1003.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-N^4^:O,N^1^- [diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-O,N^1^:N^4^- [aquacopper(I)]-μ-bromo]","","- C12 H18 Br2 Cu3 N4 O8 -","- C12 H18 Br2 Cu3 N4 O8 -","- C24 H36 Br4 Cu6 N8 O16 -","2","0.5","LN1122","Näther, Christian; Wriedt, Mario; Jeß, Inke","Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>N</i>^4^:<i>O</i>,<i>N</i>^1^-[diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>O</i>,<i>N</i>^1^:<i>N</i>^4^-[aquacopper(I)-μ-bromo]]","Acta Crystallographica Section C","2001","57","12","1395","1397","10.1107/S0108270101016250","","","0.71073","MoKα","","0.0517","0.026","","","0.059","0.0637","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012386","7.449","0.001","8.941","0.003","11.984","0.002","90","","91.68","0.01","90","","797.8","0.3","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 Cl4 N2 O2 Pd2 S2 -","- C4 H14 Cl4 N2 O2 Pd2 S2 -","- C8 H28 Cl8 N4 O4 Pd4 S4 -","2","0.5","OA1118","Miyashita, Yoshitaro; Arai, Satoshi; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","<i>anti</i>-Bis(μ-2-ammonioethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[dichloropalladium(II)] dihydrate","Acta Crystallographica Section C","2001","57","12","1393","1394","10.1107/S0108270101015736","","","0.7107","MoKα","","","0.0437","","","","0.1082","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012387","10.304","0.002","19.557","0.006","6.4387","0.0013","90","","90","","90","","1297.5","0.5","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.14","0.053","","","0.062","0.075","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012388","18.68","0.006","10.498","0.003","13.125","0.003","90","","93.35","0.02","90","","2569.4","1.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C88 H104 Cl8 N16 O40 -","8","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.111","0.046","","","0.101","0.121","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012389","19.76","0.02","10.085","0.007","13.639","0.005","90","","109.09","0.04","90","","2569","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C88 H104 Cl8 N16 O40 -","8","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.098","0.047","","","0.098","0.116","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012390","6.4233","0.0009","9.0728","0.0018","20.265","0.003","90","","95.7","0.011","90","","1175.2","0.3","122","","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-Pyridylmethyl)ammonium pyridine-2-carboxylate","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","OS1143","Døssing, Anders; Skands, Martin C.; Madsen, Anders Østergaard","(2-Pyridylmethyl)ammonium pyridine-2-carboxylate: the product of oxidative degradation of bis(2-pyridylmethyl)amine","Acta Crystallographica Section C","2001","57","12","1460","1461","10.1107/S0108270101015426","","","1.5418","CuKα","","0.038","0.033","","","0.113","0.119","","","","","","1.003","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012391","7.861","0.0005","6.598","0.0004","14.4339","0.0009","90","","94.915","0.001","90","","745.89","0.08","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane 2,4-dinitrophenolate monohydrate","","- C12 H18 N6 O6 -","- C12 H18 N6 O6 -","- C24 H36 N12 O12 -","2","0.5","SK1495","Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section C","2001","57","12","1443","1446","10.1107/S0108270101016742","","","0.71073","MoKα","","0.0743","0.0589","","","0.1374","0.1437","","","","","","0.948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012392","6.3877","0.0004","7.9017","0.0005","14.4042","0.0009","84.412","0.001","86.367","0.001","89.304","0.001","722.11","0.08","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","Hexamethylenetetramine-2,4-dinitrophenol Hydrate","","- C12 H18 N6 O6 -","- C12 H18 N6 O6 -","- C24 H36 N12 O12 -","2","1","SK1495","Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section C","2001","57","12","1443","1446","10.1107/S0108270101016742","","","0.71073","MoKα","","0.1015","0.0865","","","0.1971","0.2059","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012393","6.446","0.001","10.457","0.002","12.363","0.002","104.28","0.03","92.16","0.03","103.81","0.03","780.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","melaminium sulfate dihydrate","Bis(2,4,6-triamino-1,3,5-triazine-1-ium) sulfate dihydrate","","- C6 H18 N12 O6 S -","- C6 H18 N12 O6 S -","- C12 H36 N24 O12 S2 -","2","1","SK1499","Janczak, Jan; Perpétuo, Genivaldo Julio","Bis(melaminium) sulfate dihydrate","Acta Crystallographica Section C","2001","57","12","1431","1433","10.1107/S0108270101016031","","","0.71073","MoKα","","0.1037","0.0337","","","0.0314","0.0384","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012396","12.4326","0.001","9.5414","0.0007","17.1682","0.0008","90","","97.4","0.005","90","","2019.6","0.2","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ferrocenylmethyl-2-(4-methoxyphenyl)-1H-benzimidazole","","- C25 H22 Fe N2 O -","- C25 H22 Fe N2 O -","- C100 H88 Fe4 N8 O4 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.056","0.04","","","0.099","0.11","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012397","11.7089","0.001","13.7888","0.0012","13.2441","0.0011","90","","96.758","0.007","90","","2123.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(3,4-dimethoxyphenyl)-1-ferrocenylmethyl-1H-benzimidazole","","- C26 H24 Fe N2 O2 -","- C26 H24 Fe N2 O2 -","- C104 H96 Fe4 N8 O8 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.064","0.039","","","0.086","0.096","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012398","9.656","0.0002","10.1195","0.0001","12.3126","0.0002","110.704","0.001","92.659","0.001","115.856","0.001","983.58","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diethyl 1-(p-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate","","- C20 H20 F N O5 S -","- C20 H20 F N O5 S -","- C40 H40 F2 N2 O10 S2 -","2","1","SK1510","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ray, Jayanta Kumar; Das Adhikari, Sujit; Datta, Bishnu Pada","Diethyl 1-(<i>p</i>-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2001","57","12","1441","1442","10.1107/S010827010101681X","","","0.71073","MoKα","","0.0778","0.0586","","","0.1491","0.1608","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012399","12.44","0.003","12.44","","14.851","0.007","90","","90","","90","","2298.2","1.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H50 Cl4 Cu4 N12 O20.6 -","- C24 H48 Cl4 Cu4 N12 O20.6 -","- C48 H96 Cl8 Cu8 N24 O41.2 -","2","0.25","TA1319","Tian-Huey Lu; Yung-Jan Lin; Hung Luh; Fen-Ling Liao; Chung-Sun Chung","A linear cyclic oximate-bridged tetracopper(II) complex","Acta Crystallographica Section C","2001","57","12","1398","1399","10.1107/S0108270101016456","","","0.71073","MoKα","","0.1249","0.066","","","0.1653","0.1834","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012400","8.1634","0.0009","8.572","0.001","10.171","0.001","87.079","0.005","75.833","0.004","75.233","0.006","667.24","0.13","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N2 O6 V2 -","- C10 H8 Co N2 O6 V2 -","- C20 H16 Co2 N4 O12 V4 -","2","1","TA1336","Yang, Lan; Naruke, Haruo; Yamase, Toshihiro","A three-dimensional inorganic/organic hybrid vanadium oxide complex with pentacoordinate Co^II^, [CoV~2~O~6~(4,4'-bipy)]","Acta Crystallographica Section C","2001","57","12","1378","1380","10.1107/S0108270101014822","","","0.7107","MoKα","","","0.044","","","","0.174","","","","","","1.924","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012401","8.671","0.0005","16.4284","0.0008","7.8287","0.0007","90","","92.542","0.006","90","","1114.11","0.13","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","1.54178","CuKα","","0.0465","0.0355","","0.1004","0.0928","","","","1.093","1.114","1.114","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012402","15.934","0.007","12.471","0.005","11.436","0.005","90","","110.48","0.05","90","","2128.8","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","2","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","0.71073","MoKα","","0.0976","0.0539","","0.1634","0.1395","","","","1.038","1.117","1.117","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012403","12.802","0.007","7.0425","0.001","14.97","0.01","90","","107.44","0.03","90","","1287.6","1.1","291","","291","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H36 N2 O11 -","- C23 H36 N2 O11 -","- C46 H72 N4 O22 -","2","1","TR1000","Puliti, Raffaella; Mattia, Carlo A.; De Fazio, Alessia; Ghiara, Maria R.; Mazzarella, Lelio","Cinchoninium <small>L</small>-tartrate tetrahydrate","Acta Crystallographica Section C","2001","57","12","1447","1449","10.1107/S0108270101016365","","","1.5418","CuKα","","0.049","0.046","","","","0.054","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012404","10.268","0.004","9.529","0.003","15.315","0.005","90","","101.023","0.006","90","","1470.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Dichloro-1,1-dimethyl-3,3-diisopropyl distannoxane","","- C16 H40 Cl4 O2 Sn4 -","- C16 H40 Cl4 O2 Sn4 -","- C32 H80 Cl8 O4 Sn8 -","2","0.5","VJ1147","Lu, Yan; Leng, Xuebing; Wang, Honggen; Xie, Qinglan; Li, Jing","1,3-Dichloro-1,1-dimethyl-3,3-diisopropyldistannoxane","Acta Crystallographica Section C","2001","57","12","1391","1392","10.1107/S0108270101015645","","","0.71073","MoKα","","0.0494","0.0287","","","0.0616","0.0678","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018875","18.97","","18.97","","12.414","","90","","90","","120","","3868.81","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","K5 (B W12 O40) (H2 O)16","","- B K4.99 O50.01 W12 -","- B K4.99 O50.01 W12 -","- B3 K14.97 O150.03 W36 -","3","0.25","","Craig, D.C.; Allen, C.C.; Fletcher, H.; Burns, R.C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica C (39,1983-)","2001","57","","505","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""